diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB001448.txt b/IPB_Halle/MSBNK-IPB_Halle-PB001448.txt index fc2fe56c39b..019e30a617f 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB001448.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB001448.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB001448 -RECORD_TITLE: Allocryptopine; LC-ESI-QQ; MS2; CE:30 eV; [M+H]+ +RECORD_TITLE: Allocryptopine; LC-ESI-QQQ; MS2; CE:30 eV; [M+H]+ DATE: 2016.01.19 (Created 2008.05.27, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY HYBRYAPKQCZIAE-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:98570 CH$LINK: ChemOnt CHEMONTID:0002743; Organic compounds; Alkaloids and derivatives; Protopine alkaloids AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB001449.txt b/IPB_Halle/MSBNK-IPB_Halle-PB001449.txt index 854eeea0c4e..8ee93cb0198 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB001449.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB001449.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB001449 -RECORD_TITLE: Allocryptopine; LC-ESI-QQ; MS2; CE:35 eV; [M+H]+ +RECORD_TITLE: Allocryptopine; LC-ESI-QQQ; MS2; CE:35 eV; [M+H]+ DATE: 2016.01.19 (Created 2008.05.27, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY HYBRYAPKQCZIAE-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:98570 CH$LINK: ChemOnt CHEMONTID:0002743; Organic compounds; Alkaloids and derivatives; Protopine alkaloids AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB001481.txt b/IPB_Halle/MSBNK-IPB_Halle-PB001481.txt index 15ce5cc91f2..a6f524a2dac 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB001481.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB001481.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB001481 -RECORD_TITLE: Berberine; LC-ESI-QQ; MS2; CE:30 eV; M+ +RECORD_TITLE: Berberine; LC-ESI-QQQ; MS2; CE:30 eV; M+ DATE: 2016.01.19 (Created 2008.05.28, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:2353 CH$LINK: COMPTOX DTXSID9043857 CH$LINK: ChemOnt CHEMONTID:0001909; Organic compounds; Alkaloids and derivatives; Protoberberine alkaloids and derivatives AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB001482.txt b/IPB_Halle/MSBNK-IPB_Halle-PB001482.txt index a352d948b25..054871cc010 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB001482.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB001482.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB001482 -RECORD_TITLE: Berberine; LC-ESI-QQ; MS2; CE:35 eV; M+ +RECORD_TITLE: Berberine; LC-ESI-QQQ; MS2; CE:35 eV; M+ DATE: 2016.01.19 (Created 2008.05.28, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:2353 CH$LINK: COMPTOX DTXSID9043857 CH$LINK: ChemOnt CHEMONTID:0001909; Organic compounds; Alkaloids and derivatives; Protoberberine alkaloids and derivatives AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB001483.txt b/IPB_Halle/MSBNK-IPB_Halle-PB001483.txt index 821d4fdac06..6a2e76e6d72 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB001483.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB001483.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB001483 -RECORD_TITLE: Betaine-Aldehyde; LC-ESI-QQ; MS2; CE:20 eV; M+ +RECORD_TITLE: Betaine-Aldehyde; LC-ESI-QQQ; MS2; CE:20 eV; M+ DATE: 2016.01.19 (Created 2008.05.28, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:249 CH$LINK: COMPTOX DTXSID20225152 CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB001501.txt b/IPB_Halle/MSBNK-IPB_Halle-PB001501.txt index 0e86a256afb..74f13301ea0 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB001501.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB001501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB001501 -RECORD_TITLE: Betaine-Aldehyde; LC-ESI-QQ; MS2; CE:25 eV; M+ +RECORD_TITLE: Betaine-Aldehyde; LC-ESI-QQQ; MS2; CE:25 eV; M+ DATE: 2016.01.19 (Created 2008.05.28, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:249 CH$LINK: COMPTOX DTXSID20225152 CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB001521.txt b/IPB_Halle/MSBNK-IPB_Halle-PB001521.txt index c564b3f17c7..63a64b46930 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB001521.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB001521.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB001521 -RECORD_TITLE: Boldine; LC-ESI-QQ; MS2; CE:30 eV; [M+H]+ +RECORD_TITLE: Boldine; LC-ESI-QQQ; MS2; CE:30 eV; [M+H]+ DATE: 2016.01.19 (Created 2008.05.28, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:10154 CH$LINK: COMPTOX DTXSID40883394 CH$LINK: ChemOnt CHEMONTID:0000381; Organic compounds; Alkaloids and derivatives; Aporphines AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB001601.txt b/IPB_Halle/MSBNK-IPB_Halle-PB001601.txt index 01d2966a037..1d0697b7f57 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB001601.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB001601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB001601 -RECORD_TITLE: Chelidonine; LC-ESI-QQ; MS2; CE:25 eV; [M+H]+ +RECORD_TITLE: Chelidonine; LC-ESI-QQQ; MS2; CE:25 eV; [M+H]+ DATE: 2016.01.19 (Created 2008.05.29, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GHKISGDRQRSCII-ZOCIIQOWSA-N CH$LINK: PUBCHEM CID:197810 CH$LINK: ChemOnt CHEMONTID:0002666; Organic compounds; Alkaloids and derivatives; Benzophenanthridine alkaloids; Hexahydrobenzophenanthridine alkaloids AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB001602.txt b/IPB_Halle/MSBNK-IPB_Halle-PB001602.txt index 217dcd68ddf..8dfbde710e1 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB001602.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB001602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB001602 -RECORD_TITLE: Choline; LC-ESI-QQ; MS2; CE:20 eV; M+ +RECORD_TITLE: Choline; LC-ESI-QQQ; MS2; CE:20 eV; M+ DATE: 2016.01.19 (Created 2008.05.29, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:305 CH$LINK: COMPTOX DTXSID8043789 CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB001603.txt b/IPB_Halle/MSBNK-IPB_Halle-PB001603.txt index f5ce3c0eb18..d3989be0cc0 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB001603.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB001603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB001603 -RECORD_TITLE: Choline; LC-ESI-QQ; MS2; CE:25 eV; M+ +RECORD_TITLE: Choline; LC-ESI-QQQ; MS2; CE:25 eV; M+ DATE: 2016.01.19 (Created 2008.05.29, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:305 CH$LINK: COMPTOX DTXSID8043789 CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB001606.txt b/IPB_Halle/MSBNK-IPB_Halle-PB001606.txt index a7ffc4684fa..1ca81b64110 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB001606.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB001606.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB001606 -RECORD_TITLE: Codeine; LC-ESI-QQ; MS2; CE:35 eV; [M+H]+ +RECORD_TITLE: Codeine; LC-ESI-QQQ; MS2; CE:35 eV; [M+H]+ DATE: 2016.01.19 (Created 2008.05.29, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5284371 CH$LINK: COMPTOX DTXSID2020341 CH$LINK: ChemOnt CHEMONTID:0000058; Organic compounds; Alkaloids and derivatives; Morphinans AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB001607.txt b/IPB_Halle/MSBNK-IPB_Halle-PB001607.txt index fbbb9f1bdf6..cc31b2d3e6e 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB001607.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB001607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB001607 -RECORD_TITLE: Codeine; LC-ESI-QQ; MS2; CE:38 eV; [M+H]+ +RECORD_TITLE: Codeine; LC-ESI-QQQ; MS2; CE:38 eV; [M+H]+ DATE: 2016.01.19 (Created 2008.05.29, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5284371 CH$LINK: COMPTOX DTXSID2020341 CH$LINK: ChemOnt CHEMONTID:0000058; Organic compounds; Alkaloids and derivatives; Morphinans AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 38 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB001608.txt b/IPB_Halle/MSBNK-IPB_Halle-PB001608.txt index 69af1a32f5c..98064235f8c 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB001608.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB001608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB001608 -RECORD_TITLE: Codeine; LC-ESI-QQ; MS2; CE:40 eV; [M+H]+ +RECORD_TITLE: Codeine; LC-ESI-QQQ; MS2; CE:40 eV; [M+H]+ DATE: 2016.01.19 (Created 2008.05.29, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5284371 CH$LINK: COMPTOX DTXSID2020341 CH$LINK: ChemOnt CHEMONTID:0000058; Organic compounds; Alkaloids and derivatives; Morphinans AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB001708.txt b/IPB_Halle/MSBNK-IPB_Halle-PB001708.txt index 75048601c2a..06d6c1a6dca 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB001708.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB001708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB001708 -RECORD_TITLE: Glycine-Betaine; LC-ESI-QQ; MS2; CE:20 eV; M+ +RECORD_TITLE: Glycine-Betaine; LC-ESI-QQQ; MS2; CE:20 eV; M+ DATE: 2016.01.19 (Created 2008.05.30, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:247 CH$LINK: COMPTOX DTXSID8022666 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB001709.txt b/IPB_Halle/MSBNK-IPB_Halle-PB001709.txt index 58a35f32916..940892347e6 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB001709.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB001709.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB001709 -RECORD_TITLE: Glycine-Betaine; LC-ESI-QQ; MS2; CE:25 eV; M+ +RECORD_TITLE: Glycine-Betaine; LC-ESI-QQQ; MS2; CE:25 eV; M+ DATE: 2016.01.19 (Created 2008.05.30, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:247 CH$LINK: COMPTOX DTXSID8022666 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB002021.txt b/IPB_Halle/MSBNK-IPB_Halle-PB002021.txt index 17f05a62dc4..dd028d0709a 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB002021.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB002021.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB002021 -RECORD_TITLE: Noscapine; LC-ESI-QQ; MS2; CE:25 eV; [M+H]+ +RECORD_TITLE: Noscapine; LC-ESI-QQQ; MS2; CE:25 eV; [M+H]+ DATE: 2016.01.19 (Created 2008.06.05, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:275196 CH$LINK: COMPTOX DTXSID4023385 CH$LINK: ChemOnt CHEMONTID:0002188; Organic compounds; Alkaloids and derivatives; Phthalide isoquinolines AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB002101.txt b/IPB_Halle/MSBNK-IPB_Halle-PB002101.txt index b1c451863b7..7f73d7e7c69 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB002101.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB002101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB002101 -RECORD_TITLE: Oxycodone; LC-ESI-QQ; MS2; CE:20 eV; [M+H]+ +RECORD_TITLE: Oxycodone; LC-ESI-QQQ; MS2; CE:20 eV; [M+H]+ DATE: 2016.01.19 (Created 2008.06.06, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY BRUQQQPBMZOVGD-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4635 CH$LINK: ChemOnt CHEMONTID:0000025; Organic compounds; Benzenoids; Phenanthrenes and derivatives AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB002102.txt b/IPB_Halle/MSBNK-IPB_Halle-PB002102.txt index 2ddf2667ff0..29296eb2ec9 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB002102.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB002102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB002102 -RECORD_TITLE: Oxycodone; LC-ESI-QQ; MS2; CE:30 eV; [M+H]+ +RECORD_TITLE: Oxycodone; LC-ESI-QQQ; MS2; CE:30 eV; [M+H]+ DATE: 2016.01.19 (Created 2008.06.06, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY BRUQQQPBMZOVGD-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4635 CH$LINK: ChemOnt CHEMONTID:0000025; Organic compounds; Benzenoids; Phenanthrenes and derivatives AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB002103.txt b/IPB_Halle/MSBNK-IPB_Halle-PB002103.txt index d51e1d3933e..f494bdcea19 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB002103.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB002103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB002103 -RECORD_TITLE: Oxycodone; LC-ESI-QQ; MS2; CE:40 eV; [M+H]+ +RECORD_TITLE: Oxycodone; LC-ESI-QQQ; MS2; CE:40 eV; [M+H]+ DATE: 2016.01.19 (Created 2008.06.06, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY BRUQQQPBMZOVGD-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4635 CH$LINK: ChemOnt CHEMONTID:0000025; Organic compounds; Benzenoids; Phenanthrenes and derivatives AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB002121.txt b/IPB_Halle/MSBNK-IPB_Halle-PB002121.txt index 0bb576949d3..86cb723c000 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB002121.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB002121.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB002121 -RECORD_TITLE: Protopine; LC-ESI-QQ; MS2; CE:30 eV; [M+H]+ +RECORD_TITLE: Protopine; LC-ESI-QQQ; MS2; CE:30 eV; [M+H]+ DATE: 2016.01.19 (Created 2008.06.06, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:4970 CH$LINK: COMPTOX DTXSID90156282 CH$LINK: ChemOnt CHEMONTID:0002743; Organic compounds; Alkaloids and derivatives; Protopine alkaloids AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB002122.txt b/IPB_Halle/MSBNK-IPB_Halle-PB002122.txt index 4bd2ce41652..a28db895983 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB002122.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB002122.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB002122 -RECORD_TITLE: Protopine; LC-ESI-QQ; MS2; CE:35 eV; [M+H]+ +RECORD_TITLE: Protopine; LC-ESI-QQQ; MS2; CE:35 eV; [M+H]+ DATE: 2016.01.19 (Created 2008.06.06, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:4970 CH$LINK: COMPTOX DTXSID90156282 CH$LINK: ChemOnt CHEMONTID:0002743; Organic compounds; Alkaloids and derivatives; Protopine alkaloids AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB002163.txt b/IPB_Halle/MSBNK-IPB_Halle-PB002163.txt index 3a2588d8ce9..4b03ea08d02 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB002163.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB002163.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB002163 -RECORD_TITLE: Salsolinol; LC-ESI-QQ; MS2; CE:20 eV; [M+H]+ +RECORD_TITLE: Salsolinol; LC-ESI-QQQ; MS2; CE:20 eV; [M+H]+ DATE: 2016.01.19 (Created 2008.06.11, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:91588 CH$LINK: COMPTOX DTXSID40897153 CH$LINK: ChemOnt CHEMONTID:0002955; Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB002164.txt b/IPB_Halle/MSBNK-IPB_Halle-PB002164.txt index 5a2a847895c..bc62ebef02f 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB002164.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB002164.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB002164 -RECORD_TITLE: Salsolinol; LC-ESI-QQ; MS2; CE:25 eV; [M+H]+ +RECORD_TITLE: Salsolinol; LC-ESI-QQQ; MS2; CE:25 eV; [M+H]+ DATE: 2016.01.19 (Created 2008.06.11, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:91588 CH$LINK: COMPTOX DTXSID40897153 CH$LINK: ChemOnt CHEMONTID:0002955; Organic compounds; Organoheterocyclic compounds; Tetrahydroisoquinolines AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB002201.txt b/IPB_Halle/MSBNK-IPB_Halle-PB002201.txt index 9f816aa65eb..c3f4c9c608e 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB002201.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB002201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB002201 -RECORD_TITLE: Sanguinarine; LC-ESI-QQ; MS2; CE:35 eV; M+ +RECORD_TITLE: Sanguinarine; LC-ESI-QQQ; MS2; CE:35 eV; M+ DATE: 2016.01.19 (Created 2008.06.13, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5154 CH$LINK: COMPTOX DTXSID0045204 CH$LINK: ChemOnt CHEMONTID:0002669; Organic compounds; Alkaloids and derivatives; Benzophenanthridine alkaloids; Quaternary benzophenanthridine alkaloids AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB002202.txt b/IPB_Halle/MSBNK-IPB_Halle-PB002202.txt index 07024d32dc8..29145ca90dc 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB002202.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB002202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB002202 -RECORD_TITLE: Sanguinarine; LC-ESI-QQ; MS2; CE:40 eV; M+ +RECORD_TITLE: Sanguinarine; LC-ESI-QQQ; MS2; CE:40 eV; M+ DATE: 2016.01.19 (Created 2008.06.13, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5154 CH$LINK: COMPTOX DTXSID0045204 CH$LINK: ChemOnt CHEMONTID:0002669; Organic compounds; Alkaloids and derivatives; Benzophenanthridine alkaloids; Quaternary benzophenanthridine alkaloids AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB002203.txt b/IPB_Halle/MSBNK-IPB_Halle-PB002203.txt index 432f2b7bc0c..59d8bec6d5a 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB002203.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB002203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB002203 -RECORD_TITLE: Scopoletin; LC-ESI-QQ; MS2; CE:20 eV; [M+H]+ +RECORD_TITLE: Scopoletin; LC-ESI-QQQ; MS2; CE:20 eV; [M+H]+ DATE: 2016.01.19 (Created 2008.06.13, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5280460 CH$LINK: COMPTOX DTXSID0075368 CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB002204.txt b/IPB_Halle/MSBNK-IPB_Halle-PB002204.txt index 456870b0af5..1d225626508 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB002204.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB002204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB002204 -RECORD_TITLE: Scopoletin; LC-ESI-QQ; MS2; CE:25 eV; [M+H]+ +RECORD_TITLE: Scopoletin; LC-ESI-QQQ; MS2; CE:25 eV; [M+H]+ DATE: 2016.01.19 (Created 2008.06.13, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5280460 CH$LINK: COMPTOX DTXSID0075368 CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB003621.txt b/IPB_Halle/MSBNK-IPB_Halle-PB003621.txt index b8fc76350b6..3b6abf6569c 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB003621.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB003621.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB003621 -RECORD_TITLE: Thebaine; LC-ESI-QQ; MS2; CE:20 eV; [M+H]+ +RECORD_TITLE: Thebaine; LC-ESI-QQQ; MS2; CE:20 eV; [M+H]+ DATE: 2016.01.19 (Created 2009.04.21, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY FQXXSQDCDRQNQE-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:408120 CH$LINK: ChemOnt CHEMONTID:0000058; Organic compounds; Alkaloids and derivatives; Morphinans AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB003641.txt b/IPB_Halle/MSBNK-IPB_Halle-PB003641.txt index 7cc4156a398..ce1dc61c5d9 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB003641.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB003641.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB003641 -RECORD_TITLE: Thebaine; LC-ESI-QQ; MS2; CE:25 eV; [M+H]+ +RECORD_TITLE: Thebaine; LC-ESI-QQQ; MS2; CE:25 eV; [M+H]+ DATE: 2016.01.19 (Created 2009.04.21, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY FQXXSQDCDRQNQE-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:408120 CH$LINK: ChemOnt CHEMONTID:0000058; Organic compounds; Alkaloids and derivatives; Morphinans AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB003642.txt b/IPB_Halle/MSBNK-IPB_Halle-PB003642.txt index b86f737379f..0227b58b5b2 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB003642.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB003642.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB003642 -RECORD_TITLE: Thebaine; LC-ESI-QQ; MS2; CE:30 eV; [M+H]+ +RECORD_TITLE: Thebaine; LC-ESI-QQQ; MS2; CE:30 eV; [M+H]+ DATE: 2016.01.19 (Created 2009.04.21, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY FQXXSQDCDRQNQE-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:408120 CH$LINK: ChemOnt CHEMONTID:0000058; Organic compounds; Alkaloids and derivatives; Morphinans AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB003643.txt b/IPB_Halle/MSBNK-IPB_Halle-PB003643.txt index 806729968df..e087350e344 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB003643.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB003643.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB003643 -RECORD_TITLE: Thebaine; LC-ESI-QQ; MS2; CE:35 eV; [M+H]+ +RECORD_TITLE: Thebaine; LC-ESI-QQQ; MS2; CE:35 eV; [M+H]+ DATE: 2016.01.19 (Created 2009.04.21, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY FQXXSQDCDRQNQE-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:408120 CH$LINK: ChemOnt CHEMONTID:0000058; Organic compounds; Alkaloids and derivatives; Morphinans AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB003661.txt b/IPB_Halle/MSBNK-IPB_Halle-PB003661.txt index 6beefe8a5c8..8352f7948fd 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB003661.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB003661.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB003661 -RECORD_TITLE: Resveratrol; LC-ESI-QQ; MS2; CE:20 eV; [M-H]- +RECORD_TITLE: Resveratrol; LC-ESI-QQQ; MS2; CE:20 eV; [M-H]- DATE: 2016.01.19 (Created 2009.04.22, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:445154 CH$LINK: COMPTOX DTXSID4031980 CH$LINK: ChemOnt CHEMONTID:0000253; Organic compounds; Phenylpropanoids and polyketides; Stilbenes AC$INSTRUMENT: TSQ QUANTUM AM -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB003662.txt b/IPB_Halle/MSBNK-IPB_Halle-PB003662.txt index 2551ea4db21..aea2a7ed4e0 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB003662.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB003662.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB003662 -RECORD_TITLE: Resveratrol; LC-ESI-QQ; MS2; CE:25 eV; [M-H]- +RECORD_TITLE: Resveratrol; LC-ESI-QQQ; MS2; CE:25 eV; [M-H]- DATE: 2016.01.19 (Created 2009.04.22, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:445154 CH$LINK: COMPTOX DTXSID4031980 CH$LINK: ChemOnt CHEMONTID:0000253; Organic compounds; Phenylpropanoids and polyketides; Stilbenes AC$INSTRUMENT: TSQ QUANTUM AM -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB003681.txt b/IPB_Halle/MSBNK-IPB_Halle-PB003681.txt index b9ad02085c3..feaf6e30d65 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB003681.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB003681.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB003681 -RECORD_TITLE: Nicotianamine; LC-ESI-QQ; MS2; CE:20 eV; [M-H]- +RECORD_TITLE: Nicotianamine; LC-ESI-QQQ; MS2; CE:20 eV; [M-H]- DATE: 2016.01.19 (Created 2009.04.22, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:9882882 CH$LINK: COMPTOX DTXSID8037677 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB003701.txt b/IPB_Halle/MSBNK-IPB_Halle-PB003701.txt index 2e1b3077240..9ee7f52d2a1 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB003701.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB003701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB003701 -RECORD_TITLE: Nicotianamine; LC-ESI-QQ; MS2; CE:25 eV; [M-H]- +RECORD_TITLE: Nicotianamine; LC-ESI-QQQ; MS2; CE:25 eV; [M-H]- DATE: 2016.01.19 (Created 2009.04.22, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:9882882 CH$LINK: COMPTOX DTXSID8037677 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB003702.txt b/IPB_Halle/MSBNK-IPB_Halle-PB003702.txt index 010ccee89b1..ff98508071b 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB003702.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB003702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB003702 -RECORD_TITLE: Nicotianamine; LC-ESI-QQ; MS2; CE:30 eV; [M-H]- +RECORD_TITLE: Nicotianamine; LC-ESI-QQQ; MS2; CE:30 eV; [M-H]- DATE: 2016.01.19 (Created 2009.04.22, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:9882882 CH$LINK: COMPTOX DTXSID8037677 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB003703.txt b/IPB_Halle/MSBNK-IPB_Halle-PB003703.txt index cdee6063f1b..ff0a75d7d83 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB003703.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB003703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB003703 -RECORD_TITLE: Nicotianamine; LC-ESI-QQ; MS2; CE:35 eV; [M-H]- +RECORD_TITLE: Nicotianamine; LC-ESI-QQQ; MS2; CE:35 eV; [M-H]- DATE: 2016.01.19 (Created 2009.04.22, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:9882882 CH$LINK: COMPTOX DTXSID8037677 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB003741.txt b/IPB_Halle/MSBNK-IPB_Halle-PB003741.txt index 5539e7485d9..33c0b998dd5 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB003741.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB003741.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB003741 -RECORD_TITLE: Harmane; LC-ESI-QQ; MS2; CE:35 eV; [M+H]+ +RECORD_TITLE: Harmane; LC-ESI-QQQ; MS2; CE:35 eV; [M+H]+ DATE: 2016.01.19 (Created 2009.04.22, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5281404 CH$LINK: COMPTOX DTXSID80197568 CH$LINK: ChemOnt CHEMONTID:0001140; Organic compounds; Alkaloids and derivatives; Harmala alkaloids AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB003761.txt b/IPB_Halle/MSBNK-IPB_Halle-PB003761.txt index 9cf4a7b7c33..821fbb7316b 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB003761.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB003761.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB003761 -RECORD_TITLE: Norharmane; LC-ESI-QQ; MS2; CE:35 eV; [M+H]+ +RECORD_TITLE: Norharmane; LC-ESI-QQQ; MS2; CE:35 eV; [M+H]+ DATE: 2016.01.19 (Created 2009.04.22, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:64961 CH$LINK: COMPTOX DTXSID2021070 CH$LINK: ChemOnt CHEMONTID:0001213; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyridoindoles AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB003781.txt b/IPB_Halle/MSBNK-IPB_Halle-PB003781.txt index 75dc63f0439..2fee83a6a03 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB003781.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB003781.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB003781 -RECORD_TITLE: Caffeine; LC-ESI-QQ; MS2; CE:25 eV; [M+H]+ +RECORD_TITLE: Caffeine; LC-ESI-QQQ; MS2; CE:25 eV; [M+H]+ DATE: 2016.01.19 (Created 2009.04.27, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:2519 CH$LINK: COMPTOX DTXSID0020232 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB003782.txt b/IPB_Halle/MSBNK-IPB_Halle-PB003782.txt index 903e79205c5..2ef7f42b76a 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB003782.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB003782.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB003782 -RECORD_TITLE: Caffeine; LC-ESI-QQ; MS2; CE:30 eV; [M+H]+ +RECORD_TITLE: Caffeine; LC-ESI-QQQ; MS2; CE:30 eV; [M+H]+ DATE: 2016.01.19 (Created 2009.04.27, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:2519 CH$LINK: COMPTOX DTXSID0020232 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB003783.txt b/IPB_Halle/MSBNK-IPB_Halle-PB003783.txt index bf6026f03c1..fcffa91c59e 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB003783.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB003783.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB003783 -RECORD_TITLE: Caffeine; LC-ESI-QQ; MS2; CE:35 eV; [M+H]+ +RECORD_TITLE: Caffeine; LC-ESI-QQQ; MS2; CE:35 eV; [M+H]+ DATE: 2016.01.19 (Created 2009.04.27, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:2519 CH$LINK: COMPTOX DTXSID0020232 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB004083.txt b/IPB_Halle/MSBNK-IPB_Halle-PB004083.txt index cd0a71fe3cc..d47a3608dc9 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB004083.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB004083.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB004083 -RECORD_TITLE: Quercetin; LC-ESI-QQ; MS2; CE:25 eV; [M+H]+ +RECORD_TITLE: Quercetin; LC-ESI-QQQ; MS2; CE:25 eV; [M+H]+ DATE: 2016.01.19 (Created 2009.04.29, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5280343 CH$LINK: COMPTOX DTXSID4021218 CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TSQ QUANTUM AM -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB004084.txt b/IPB_Halle/MSBNK-IPB_Halle-PB004084.txt index 1c919196c64..1b5cc45f265 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB004084.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB004084.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB004084 -RECORD_TITLE: Quercetin; LC-ESI-QQ; MS2; CE:30 eV; [M+H]+ +RECORD_TITLE: Quercetin; LC-ESI-QQQ; MS2; CE:30 eV; [M+H]+ DATE: 2016.01.19 (Created 2009.04.29, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5280343 CH$LINK: COMPTOX DTXSID4021218 CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TSQ QUANTUM AM -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB004085.txt b/IPB_Halle/MSBNK-IPB_Halle-PB004085.txt index 6102173d2fc..460c932ae5d 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB004085.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB004085.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB004085 -RECORD_TITLE: Quercetin; LC-ESI-QQ; MS2; CE:35 eV; [M+H]+ +RECORD_TITLE: Quercetin; LC-ESI-QQQ; MS2; CE:35 eV; [M+H]+ DATE: 2016.01.19 (Created 2009.04.29, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5280343 CH$LINK: COMPTOX DTXSID4021218 CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TSQ QUANTUM AM -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB004101.txt b/IPB_Halle/MSBNK-IPB_Halle-PB004101.txt index 59557dfd93a..ca0e262b115 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB004101.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB004101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB004101 -RECORD_TITLE: Quercetin; LC-ESI-QQ; MS2; CE:20 eV; [M-H]- +RECORD_TITLE: Quercetin; LC-ESI-QQQ; MS2; CE:20 eV; [M-H]- DATE: 2016.01.19 (Created 2009.04.29, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5280343 CH$LINK: COMPTOX DTXSID4021218 CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB004102.txt b/IPB_Halle/MSBNK-IPB_Halle-PB004102.txt index 216ed79cbc4..e6d6c491e6b 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB004102.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB004102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB004102 -RECORD_TITLE: Quercetin; LC-ESI-QQ; MS2; CE:25 eV; [M-H]- +RECORD_TITLE: Quercetin; LC-ESI-QQQ; MS2; CE:25 eV; [M-H]- DATE: 2016.01.19 (Created 2009.04.29, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5280343 CH$LINK: COMPTOX DTXSID4021218 CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB004103.txt b/IPB_Halle/MSBNK-IPB_Halle-PB004103.txt index a1ae76bab2a..00d1fde2d4e 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB004103.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB004103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB004103 -RECORD_TITLE: Quercetin; LC-ESI-QQ; MS2; CE:30 eV; [M-H]- +RECORD_TITLE: Quercetin; LC-ESI-QQQ; MS2; CE:30 eV; [M-H]- DATE: 2016.01.19 (Created 2009.04.29, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5280343 CH$LINK: COMPTOX DTXSID4021218 CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TSQ 7000 -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB004121.txt b/IPB_Halle/MSBNK-IPB_Halle-PB004121.txt index 36c27c0c88c..7794468802b 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB004121.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB004121.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB004121 -RECORD_TITLE: Kaempferol; LC-ESI-QQ; MS2; CE:25 eV; [M+H]+ +RECORD_TITLE: Kaempferol; LC-ESI-QQQ; MS2; CE:25 eV; [M+H]+ DATE: 2016.01.19 (Created 2009.04.29, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5280863 CH$LINK: COMPTOX DTXSID7020768 CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TSQ QUANTUM AM -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB004122.txt b/IPB_Halle/MSBNK-IPB_Halle-PB004122.txt index 0989e9716c4..7bf1b395fb7 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB004122.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB004122.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB004122 -RECORD_TITLE: Kaempferol; LC-ESI-QQ; MS2; CE:30 eV; [M+H]+ +RECORD_TITLE: Kaempferol; LC-ESI-QQQ; MS2; CE:30 eV; [M+H]+ DATE: 2016.01.19 (Created 2009.04.29, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5280863 CH$LINK: COMPTOX DTXSID7020768 CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TSQ QUANTUM AM -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB004123.txt b/IPB_Halle/MSBNK-IPB_Halle-PB004123.txt index e8615d99b43..3b8000be652 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB004123.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB004123.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB004123 -RECORD_TITLE: Kaempferol; LC-ESI-QQ; MS2; CE:35 eV; [M+H]+ +RECORD_TITLE: Kaempferol; LC-ESI-QQQ; MS2; CE:35 eV; [M+H]+ DATE: 2016.01.19 (Created 2009.04.29, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5280863 CH$LINK: COMPTOX DTXSID7020768 CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TSQ QUANTUM AM -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB004141.txt b/IPB_Halle/MSBNK-IPB_Halle-PB004141.txt index eb06113e5d4..64ba7411705 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB004141.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB004141.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB004141 -RECORD_TITLE: Kaempferol; LC-ESI-QQ; MS2; CE:30 eV; [M-H]- +RECORD_TITLE: Kaempferol; LC-ESI-QQQ; MS2; CE:30 eV; [M-H]- DATE: 2016.01.19 (Created 2009.04.29, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5280863 CH$LINK: COMPTOX DTXSID7020768 CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TSQ QUANTUM AM -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB004142.txt b/IPB_Halle/MSBNK-IPB_Halle-PB004142.txt index 728fc78d5fd..21d128a5e06 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB004142.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB004142.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB004142 -RECORD_TITLE: Kaempferol; LC-ESI-QQ; MS2; CE:35 eV; [M-H]- +RECORD_TITLE: Kaempferol; LC-ESI-QQQ; MS2; CE:35 eV; [M-H]- DATE: 2016.01.19 (Created 2009.04.29, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5280863 CH$LINK: COMPTOX DTXSID7020768 CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TSQ QUANTUM AM -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB004143.txt b/IPB_Halle/MSBNK-IPB_Halle-PB004143.txt index 1706060713f..fb33ab67728 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB004143.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB004143.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB004143 -RECORD_TITLE: Kaempferol; LC-ESI-QQ; MS2; CE:40 eV; [M-H]- +RECORD_TITLE: Kaempferol; LC-ESI-QQQ; MS2; CE:40 eV; [M-H]- DATE: 2016.01.19 (Created 2009.04.29, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5280863 CH$LINK: COMPTOX DTXSID7020768 CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TSQ QUANTUM AM -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB004701.txt b/IPB_Halle/MSBNK-IPB_Halle-PB004701.txt index 413791a9c6e..e2c82751f4e 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB004701.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB004701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB004701 -RECORD_TITLE: Coumarin; LC-ESI-QQ; MS2; CE:23 eV; [M+H]+ +RECORD_TITLE: Coumarin; LC-ESI-QQQ; MS2; CE:23 eV; [M+H]+ DATE: 2016.01.19 (Created 2009.05.11, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:323 CH$LINK: COMPTOX DTXSID7020348 CH$LINK: ChemOnt CHEMONTID:0000145; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives AC$INSTRUMENT: TSQ QUANTUM AM -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 23 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB004702.txt b/IPB_Halle/MSBNK-IPB_Halle-PB004702.txt index 245b032788d..3eb96b30c68 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB004702.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB004702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB004702 -RECORD_TITLE: Coumarin; LC-ESI-QQ; MS2; CE:25 eV; [M+H]+ +RECORD_TITLE: Coumarin; LC-ESI-QQQ; MS2; CE:25 eV; [M+H]+ DATE: 2016.01.19 (Created 2009.05.11, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:323 CH$LINK: COMPTOX DTXSID7020348 CH$LINK: ChemOnt CHEMONTID:0000145; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives AC$INSTRUMENT: TSQ QUANTUM AM -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB004703.txt b/IPB_Halle/MSBNK-IPB_Halle-PB004703.txt index 117f2d9c34f..071e3ba975a 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB004703.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB004703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB004703 -RECORD_TITLE: Coumarin; LC-ESI-QQ; MS2; CE:28 eV; [M+H]+ +RECORD_TITLE: Coumarin; LC-ESI-QQQ; MS2; CE:28 eV; [M+H]+ DATE: 2016.01.19 (Created 2009.05.11, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:323 CH$LINK: COMPTOX DTXSID7020348 CH$LINK: ChemOnt CHEMONTID:0000145; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives AC$INSTRUMENT: TSQ QUANTUM AM -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 28 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB004921.txt b/IPB_Halle/MSBNK-IPB_Halle-PB004921.txt index e75c2053a9f..163d51bc97b 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB004921.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB004921.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB004921 -RECORD_TITLE: Xanthohumol; LC-ESI-QQ; MS2; CE:15 eV; [M+H]+ +RECORD_TITLE: Xanthohumol; LC-ESI-QQQ; MS2; CE:15 eV; [M+H]+ DATE: 2016.01.19 (Created 2009.05.12, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:639665 CH$LINK: COMPTOX DTXSID00893171 CH$LINK: ChemOnt CHEMONTID:0001630; Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids; Chalcones and dihydrochalcones AC$INSTRUMENT: TSQ QUANTUM AM -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB004922.txt b/IPB_Halle/MSBNK-IPB_Halle-PB004922.txt index d86a348db27..003546fdc64 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB004922.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB004922.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB004922 -RECORD_TITLE: Xanthohumol; LC-ESI-QQ; MS2; CE:20 eV; [M+H]+ +RECORD_TITLE: Xanthohumol; LC-ESI-QQQ; MS2; CE:20 eV; [M+H]+ DATE: 2016.01.19 (Created 2009.05.12, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:639665 CH$LINK: COMPTOX DTXSID00893171 CH$LINK: ChemOnt CHEMONTID:0001630; Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids; Chalcones and dihydrochalcones AC$INSTRUMENT: TSQ QUANTUM AM -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB004923.txt b/IPB_Halle/MSBNK-IPB_Halle-PB004923.txt index 72fecd4368b..e45a6947fa0 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB004923.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB004923.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB004923 -RECORD_TITLE: Xanthohumol; LC-ESI-QQ; MS2; CE:25 eV; [M+H]+ +RECORD_TITLE: Xanthohumol; LC-ESI-QQQ; MS2; CE:25 eV; [M+H]+ DATE: 2016.01.19 (Created 2009.05.12, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:639665 CH$LINK: COMPTOX DTXSID00893171 CH$LINK: ChemOnt CHEMONTID:0001630; Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids; Chalcones and dihydrochalcones AC$INSTRUMENT: TSQ QUANTUM AM -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB004941.txt b/IPB_Halle/MSBNK-IPB_Halle-PB004941.txt index d14856d5721..8fd841afb61 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB004941.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB004941.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB004941 -RECORD_TITLE: Xanthohumol; LC-ESI-QQ; MS2; CE:15 eV; [M-H]- +RECORD_TITLE: Xanthohumol; LC-ESI-QQQ; MS2; CE:15 eV; [M-H]- DATE: 2016.01.19 (Created 2009.05.12, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:639665 CH$LINK: COMPTOX DTXSID00893171 CH$LINK: ChemOnt CHEMONTID:0001630; Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids; Chalcones and dihydrochalcones AC$INSTRUMENT: TSQ QUANTUM AM -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB004942.txt b/IPB_Halle/MSBNK-IPB_Halle-PB004942.txt index a5b2ce38510..024fd0c9861 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB004942.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB004942.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB004942 -RECORD_TITLE: Xanthohumol; LC-ESI-QQ; MS2; CE:20 eV; [M-H]- +RECORD_TITLE: Xanthohumol; LC-ESI-QQQ; MS2; CE:20 eV; [M-H]- DATE: 2016.01.19 (Created 2009.05.12, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:639665 CH$LINK: COMPTOX DTXSID00893171 CH$LINK: ChemOnt CHEMONTID:0001630; Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids; Chalcones and dihydrochalcones AC$INSTRUMENT: TSQ QUANTUM AM -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV diff --git a/IPB_Halle/MSBNK-IPB_Halle-PB004943.txt b/IPB_Halle/MSBNK-IPB_Halle-PB004943.txt index d117e0ad32c..1efdbda77b0 100644 --- a/IPB_Halle/MSBNK-IPB_Halle-PB004943.txt +++ b/IPB_Halle/MSBNK-IPB_Halle-PB004943.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-IPB_Halle-PB004943 -RECORD_TITLE: Xanthohumol; LC-ESI-QQ; MS2; CE:25 eV; [M-H]- +RECORD_TITLE: Xanthohumol; LC-ESI-QQQ; MS2; CE:25 eV; [M-H]- DATE: 2016.01.19 (Created 2009.05.12, modified 2013.06.04) AUTHORS: Schmidt J, Institute of Plant Biochemistry, Halle, Germany LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:639665 CH$LINK: COMPTOX DTXSID00893171 CH$LINK: ChemOnt CHEMONTID:0001630; Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids; Chalcones and dihydrochalcones AC$INSTRUMENT: TSQ QUANTUM AM -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000001.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000001.txt index 09823580ac8..bfe4cdb1445 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000001.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000001 -RECORD_TITLE: GABA; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: GABA; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6035106 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000002.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000002.txt index e5625fc7aa8..b24cba54e5c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000002.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000002 -RECORD_TITLE: GABA; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: GABA; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6035106 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000003.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000003.txt index 35acbe0cca6..03acc6a8422 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000003.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000003 -RECORD_TITLE: GABA; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: GABA; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6035106 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000009.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000009.txt index 00c20d5181f..f2c957cd4dd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000009.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000009 -RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Adenosine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N CH$LINK: COMPTOX DTXSID1022558 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000010.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000010.txt index 65dcea1f977..654a5058028 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000010.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000010.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000010 -RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Adenosine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N CH$LINK: COMPTOX DTXSID1022558 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000011.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000011.txt index 363afb9fd98..144024e039a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000011.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000011.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000011 -RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Adenosine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N CH$LINK: COMPTOX DTXSID1022558 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000012.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000012.txt index 82da0ffcd46..c1adbe5ec18 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000012.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000012.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000012 -RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Adenosine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N CH$LINK: COMPTOX DTXSID1022558 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000013.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000013.txt index e6472b7f435..6149b730909 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000013.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000013.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000013 -RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Adenosine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N CH$LINK: COMPTOX DTXSID1022558 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000014.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000014.txt index ff6f9f245f1..55c8c146c39 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000014.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000014.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000014 -RECORD_TITLE: Anthranilic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Anthranilic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000015.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000015.txt index 20f4abb911a..d8a27defa4c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000015.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000015.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000015 -RECORD_TITLE: Anthranilic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Anthranilic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000016.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000016.txt index cbf98d79904..b34a143526f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000016.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000016.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000016 -RECORD_TITLE: Anthranilic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Anthranilic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000017.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000017.txt index 325c58d66cf..8f15e0fb315 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000017.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000017.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000017 -RECORD_TITLE: Anthranilic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Anthranilic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000018.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000018.txt index ef17b9ce4a1..c42c7291788 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000018.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000018.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000018 -RECORD_TITLE: Anthranilic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Anthranilic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000019.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000019.txt index 636dfc92a74..7c50646d6fb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000019.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000019.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000019 -RECORD_TITLE: D-Ala; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: D-Ala; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-UWTATZPHSA-N CH$LINK: COMPTOX DTXSID3045649 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000020.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000020.txt index 4a1a0b1da43..2b81e4764bd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000020.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000020.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000020 -RECORD_TITLE: D-Ala; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: D-Ala; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-UWTATZPHSA-N CH$LINK: COMPTOX DTXSID3045649 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000021.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000021.txt index b26a627dca8..d36a5bc0bda 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000021.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000021.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000021 -RECORD_TITLE: L-Alanine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-Alanine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20873899 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000022.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000022.txt index 0b86f58f19c..2ca1f7a9ed1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000022.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000022.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000022 -RECORD_TITLE: L-Alanine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-Alanine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20873899 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000023.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000023.txt index 2726f7ce7ca..7bc2d45daf8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000023.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000023.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000023 -RECORD_TITLE: L-Alanine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-Alanine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20873899 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000024.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000024.txt index 35d3889fcdf..996b85edc65 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000024.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000024.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000024 -RECORD_TITLE: L-Asparagine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-Asparagine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DCXYFEDJOCDNAF-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID10883220 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000025.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000025.txt index 7e0b3633714..88775fef3cd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000025.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000025.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000025 -RECORD_TITLE: L-Asparagine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-Asparagine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DCXYFEDJOCDNAF-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID10883220 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000026.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000026.txt index 1785a58e670..81d0a1fa8e4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000026.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000026.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000026 -RECORD_TITLE: L-Asparagine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-Asparagine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DCXYFEDJOCDNAF-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID10883220 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000027.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000027.txt index e3691156596..986e3038c45 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000027.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000027.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000027 -RECORD_TITLE: L-Asparagine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: L-Asparagine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DCXYFEDJOCDNAF-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID10883220 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000028.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000028.txt index 85028eb0b24..73dc2b9abd8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000028.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000028.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000028 -RECORD_TITLE: L-Asparagine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: L-Asparagine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DCXYFEDJOCDNAF-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID10883220 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000029.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000029.txt index fc3ffccf087..17ab529c0cf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000029.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000029.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000029 -RECORD_TITLE: L-Aspartic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-Aspartic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY CKLJMWTZIZZHCS-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID7022621 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000030.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000030.txt index 0e77e0535cd..4e239526ece 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000030.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000030.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000030 -RECORD_TITLE: L-Aspartic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-Aspartic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY CKLJMWTZIZZHCS-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID7022621 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000031.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000031.txt index a19b6ed852b..e52efdb641c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000031.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000031.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000031 -RECORD_TITLE: L-Aspartic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-Aspartic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY CKLJMWTZIZZHCS-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID7022621 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000032.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000032.txt index c9c1a79dbf6..d3f0af52dd6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000032.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000032.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000032 -RECORD_TITLE: L-Aspartic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: L-Aspartic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY CKLJMWTZIZZHCS-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID7022621 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000033.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000033.txt index be7a566b4cd..7cdcd4ee628 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000033.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000033.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000033 -RECORD_TITLE: L-Aspartic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: L-Aspartic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY CKLJMWTZIZZHCS-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID7022621 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000034.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000034.txt index 4aaf4914e6a..27ad9c8048c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000034.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000034.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000034 -RECORD_TITLE: N-Acetylneuraminic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: N-Acetylneuraminic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-LUWBGTNYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000035.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000035.txt index 80e80cf8b9f..c2dbac62f02 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000035.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000035.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000035 -RECORD_TITLE: N-Acetylneuraminic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: N-Acetylneuraminic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-LUWBGTNYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000036.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000036.txt index 568d1240a4b..02253437b17 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000036.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000036.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000036 -RECORD_TITLE: N-Acetylneuraminic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: N-Acetylneuraminic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-LUWBGTNYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000037.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000037.txt index e9d910bf3f5..b1bfd7995ab 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000037.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000037.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000037 -RECORD_TITLE: N-Acetylneuraminic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: N-Acetylneuraminic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-LUWBGTNYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000038.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000038.txt index ee68e044a8a..042c5209efb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000038.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000038.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000038 -RECORD_TITLE: N-Acetylneuraminic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: N-Acetylneuraminic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-LUWBGTNYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000039.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000039.txt index 03a1647e770..99f6b694e2a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000039.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000039.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000039 -RECORD_TITLE: beta-Alanine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: beta-Alanine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY UCMIRNVEIXFBKS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0030823 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000040.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000040.txt index 620eea5fabb..7a887c0053d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000040.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000040.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000040 -RECORD_TITLE: beta-Alanine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: beta-Alanine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY UCMIRNVEIXFBKS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0030823 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000041.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000041.txt index d8309255b4c..5a4aa8c38b9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000041.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000041.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000041 -RECORD_TITLE: beta-Alanine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: beta-Alanine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY UCMIRNVEIXFBKS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0030823 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000042.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000042.txt index 29cd80a8b2b..2b06de1e36e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000042.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000042.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000042 -RECORD_TITLE: Acetate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Acetate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY QTBSBXVTEAMEQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024394 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000043.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000043.txt index cbe98eced6f..333748b833d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000043.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000043.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000043 -RECORD_TITLE: Acetate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Acetate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY QTBSBXVTEAMEQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024394 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000044.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000044.txt index c18165ca73b..5d9f58e3eba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000044.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000044.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000044 -RECORD_TITLE: Acetate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Acetate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY QTBSBXVTEAMEQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024394 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000045.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000045.txt index 05d16b3f7c4..f510eb239f0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000045.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000045.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000045 -RECORD_TITLE: Acetate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Acetate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY QTBSBXVTEAMEQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024394 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000046.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000046.txt index 2aefd8f377f..fe1387da024 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000046.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000046.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000046 -RECORD_TITLE: Acetate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Acetate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY QTBSBXVTEAMEQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024394 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000047.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000047.txt index 957ac4c070f..c1cf295c285 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000047.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000047.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000047 -RECORD_TITLE: cis-Aconitic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: cis-Aconitic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GTZCVFVGUGFEME-IWQZZHSRSA-N CH$LINK: COMPTOX DTXSID30883449 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000048.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000048.txt index 7c59c85da57..d3a0f42d005 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000048.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000048.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000048 -RECORD_TITLE: cis-Aconitic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: cis-Aconitic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GTZCVFVGUGFEME-IWQZZHSRSA-N CH$LINK: COMPTOX DTXSID30883449 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000049.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000049.txt index a62f752eea4..5d26a0daf3e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000049.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000049.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000049 -RECORD_TITLE: cis-Aconitic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: cis-Aconitic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GTZCVFVGUGFEME-IWQZZHSRSA-N CH$LINK: COMPTOX DTXSID30883449 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000050.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000050.txt index 11d5915b195..e978fe396c8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000050.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000050.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000050 -RECORD_TITLE: cis-Aconitic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: cis-Aconitic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GTZCVFVGUGFEME-IWQZZHSRSA-N CH$LINK: COMPTOX DTXSID30883449 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000051.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000051.txt index a68b412ea5b..6657cc6027f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000051.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000051.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000051 -RECORD_TITLE: cis-Aconitic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: cis-Aconitic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GTZCVFVGUGFEME-IWQZZHSRSA-N CH$LINK: COMPTOX DTXSID30883449 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000052.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000052.txt index dd617d48edb..52e664428ed 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000052.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000052.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000052 -RECORD_TITLE: N-Acetyl-L-glutamic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: N-Acetyl-L-glutamic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY RFMMMVDNIPUKGG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID3046534 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000053.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000053.txt index 91ebc43a668..3d7d34e7dc7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000053.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000053.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000053 -RECORD_TITLE: N-Acetyl-L-glutamic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: N-Acetyl-L-glutamic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY RFMMMVDNIPUKGG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID3046534 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000054.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000054.txt index f519a37c957..13a2ea7c5ff 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000054.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000054.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000054 -RECORD_TITLE: N-Acetyl-L-glutamic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: N-Acetyl-L-glutamic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY RFMMMVDNIPUKGG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID3046534 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000055.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000055.txt index 898cf052572..d26bc19bf2d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000055.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000055.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000055 -RECORD_TITLE: N-Acetyl-L-glutamic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: N-Acetyl-L-glutamic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY RFMMMVDNIPUKGG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID3046534 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000056.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000056.txt index 78a7cd0ddfd..49462d85e7f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000056.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000056.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000056 -RECORD_TITLE: N-Acetyl-L-glutamic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: N-Acetyl-L-glutamic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY RFMMMVDNIPUKGG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID3046534 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000057.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000057.txt index de7e54d2c42..fcf6355f268 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000057.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000057.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000057 -RECORD_TITLE: N-alpha-Acetyl-L-ornithine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: N-alpha-Acetyl-L-ornithine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JRLGPAXAGHMNOL-LURJTMIESA-N CH$LINK: COMPTOX DTXSID80331400 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000058.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000058.txt index 86956ac7f02..0900a4b421a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000058.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000058.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000058 -RECORD_TITLE: N-alpha-Acetyl-L-ornithine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: N-alpha-Acetyl-L-ornithine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JRLGPAXAGHMNOL-LURJTMIESA-N CH$LINK: COMPTOX DTXSID80331400 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000059.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000059.txt index e93617c0619..f98fcc5241a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000059.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000059.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000059 -RECORD_TITLE: N-alpha-Acetyl-L-ornithine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: N-alpha-Acetyl-L-ornithine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JRLGPAXAGHMNOL-LURJTMIESA-N CH$LINK: COMPTOX DTXSID80331400 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000060.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000060.txt index e22f5f5a4d1..ea0c526fb79 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000060.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000060.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000060 -RECORD_TITLE: N-alpha-Acetyl-L-ornithine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: N-alpha-Acetyl-L-ornithine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JRLGPAXAGHMNOL-LURJTMIESA-N CH$LINK: COMPTOX DTXSID80331400 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000061.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000061.txt index 183a26f5197..8f5fb0b9343 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000061.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000061.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000061 -RECORD_TITLE: N-alpha-Acetyl-L-ornithine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: N-alpha-Acetyl-L-ornithine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JRLGPAXAGHMNOL-LURJTMIESA-N CH$LINK: COMPTOX DTXSID80331400 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000062.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000062.txt index a27c8ab553d..3ebc91f2230 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000062.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000062.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000062 -RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000063.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000063.txt index f988bf46e98..381f1707fa1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000063.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000063.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000063 -RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000064.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000064.txt index 1ef351fd1e5..d0dc1f37c3e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000064.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000064.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000064 -RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000065.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000065.txt index 82b0b1cc494..afacd11799b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000065.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000065.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000065 -RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000066.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000066.txt index 58914af4528..388ea68af07 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000066.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000066.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000066 -RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000067.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000067.txt index 876ffba04bd..ec32f5092eb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000067.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000067.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000067 -RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQ; MS2; CE:10 V; [M-2H]-- +RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-2H]-- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000068.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000068.txt index 582a639b7c0..13f87904d5f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000068.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000068.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000068 -RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQ; MS2; CE:20 V; [M-2H]-- +RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-2H]-- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000069.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000069.txt index 89cce722331..fc381efd117 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000069.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000069.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000069 -RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQ; MS2; CE:30 V; [M-2H]-- +RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-2H]-- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000070.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000070.txt index 4981d0a9af9..b395a796de1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000070.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000070.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000070 -RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQ; MS2; CE:40 V; [M-2H]-- +RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-2H]-- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000071.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000071.txt index c84f7d62206..77346c95c7d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000071.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000071.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000071 -RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQ; MS2; CE:50 V; [M-2H]-- +RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-2H]-- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000072.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000072.txt index 0d5f9d37634..e6efd352aea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000072.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000072.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000072 -RECORD_TITLE: Argininosuccinic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Argininosuccinic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KDZOASGQNOPSCU-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID80178574 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000073.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000073.txt index d031d9291b1..fcfbb069812 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000073.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000073.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000073 -RECORD_TITLE: Argininosuccinic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Argininosuccinic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KDZOASGQNOPSCU-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID80178574 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000074.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000074.txt index 4325c9bd93e..211ab6afa14 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000074.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000074.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000074 -RECORD_TITLE: Argininosuccinic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Argininosuccinic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KDZOASGQNOPSCU-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID80178574 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000075.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000075.txt index ce83199ee57..4fd60a367e0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000075.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000075.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000075 -RECORD_TITLE: Argininosuccinic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Argininosuccinic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KDZOASGQNOPSCU-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID80178574 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000076.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000076.txt index 709c29e33d5..b013f603aa0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000076.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000076.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000076 -RECORD_TITLE: Argininosuccinic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Argininosuccinic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KDZOASGQNOPSCU-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID80178574 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000077.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000077.txt index 6319a438ad1..d3c970c2ca8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000077.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000077.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000077 -RECORD_TITLE: Acrylic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Acrylic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY NIXOWILDQLNWCW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0039229 CH$LINK: ChemOnt CHEMONTID:0004450; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Acrylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000078.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000078.txt index e83010715e0..6fb57eb64f7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000078.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000078.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000078 -RECORD_TITLE: Acrylic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Acrylic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY NIXOWILDQLNWCW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0039229 CH$LINK: ChemOnt CHEMONTID:0004450; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Acrylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000079.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000079.txt index abd9e83fe48..a052cdaf991 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000079.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000079.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000079 -RECORD_TITLE: 2-Aminobenzimidazole; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2-Aminobenzimidazole; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JWYUFVNJZUSCSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024465 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000080.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000080.txt index 47396334c61..4168c8c25b4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000080.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000080.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000080 -RECORD_TITLE: 2-Aminobenzimidazole; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2-Aminobenzimidazole; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JWYUFVNJZUSCSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024465 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000081.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000081.txt index c73458cc023..92e4f4938f7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000081.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000081.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000081 -RECORD_TITLE: 2-Aminobenzimidazole; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2-Aminobenzimidazole; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JWYUFVNJZUSCSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024465 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000082.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000082.txt index 9084dbd5581..cc8d8bd70d9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000082.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000082.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000082 -RECORD_TITLE: 2-Aminobenzimidazole; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2-Aminobenzimidazole; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JWYUFVNJZUSCSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024465 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000083.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000083.txt index 345e981bda9..aac50f54e6c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000083.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000083.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000083 -RECORD_TITLE: 2-Aminobenzimidazole; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 2-Aminobenzimidazole; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JWYUFVNJZUSCSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024465 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000084.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000084.txt index 921b1d82f6c..ac8aaf056e3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000084.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000084.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000084 -RECORD_TITLE: 4-Aminobenzoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 4-Aminobenzoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024466 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000085.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000085.txt index 7f06e10b504..22d01805d5e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000085.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000085.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000085 -RECORD_TITLE: 4-Aminobenzoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 4-Aminobenzoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024466 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000086.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000086.txt index 3be5c28636e..cd066c0483f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000086.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000086.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000086 -RECORD_TITLE: 4-Aminobenzoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 4-Aminobenzoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024466 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000087.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000087.txt index a7c94ef8fbc..66bc0a12b4b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000087.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000087.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000087 -RECORD_TITLE: 4-Aminobenzoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 4-Aminobenzoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024466 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000088.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000088.txt index b76ef80b196..f92525eb257 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000088.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000088.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000088 -RECORD_TITLE: 4-Aminobenzoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 4-Aminobenzoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024466 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000089.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000089.txt index 3e6c92d9888..0e43ef7b769 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000089.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000089.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000089 -RECORD_TITLE: 3-Amino-1,2,4-triazole; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 3-Amino-1,2,4-triazole; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY KLSJWNVTNUYHDU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020076 CH$LINK: ChemOnt CHEMONTID:0000099; Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000090.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000090.txt index 9196104baaa..def3ae4e37d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000090.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000090.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000090 -RECORD_TITLE: 3-Amino-1,2,4-triazole; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 3-Amino-1,2,4-triazole; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY KLSJWNVTNUYHDU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020076 CH$LINK: ChemOnt CHEMONTID:0000099; Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000091.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000091.txt index ebff9ede334..baa8aceb746 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000091.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000091.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000091 -RECORD_TITLE: 3-Amino-1,2,4-triazole; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 3-Amino-1,2,4-triazole; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY KLSJWNVTNUYHDU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020076 CH$LINK: ChemOnt CHEMONTID:0000099; Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000092.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000092.txt index 8dd714b2f5f..9dc1785d641 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000092.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000092.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000092 -RECORD_TITLE: 3-Amino-1,2,4-triazole; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 3-Amino-1,2,4-triazole; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY KLSJWNVTNUYHDU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020076 CH$LINK: ChemOnt CHEMONTID:0000099; Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000093.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000093.txt index e475908f5ad..be251988c06 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000093.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000093.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000093 -RECORD_TITLE: 3-Amino-1,2,4-triazole; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 3-Amino-1,2,4-triazole; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY KLSJWNVTNUYHDU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020076 CH$LINK: ChemOnt CHEMONTID:0000099; Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000094.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000094.txt index bdbe6cf45c0..b8480e1926f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000094.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000094.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000094 -RECORD_TITLE: 1-Aminocyclopropane-1-carboxylic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 1-Aminocyclopropane-1-carboxylic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PAJPWUMXBYXFCZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9039577 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000095.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000095.txt index eb354d24ad8..1d5ebe77d5c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000095.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000095.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000095 -RECORD_TITLE: 1-Aminocyclopropane-1-carboxylic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 1-Aminocyclopropane-1-carboxylic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PAJPWUMXBYXFCZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9039577 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000096.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000096.txt index d23cec289c4..3d78a72aa43 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000096.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000096.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000096 -RECORD_TITLE: 2-Aminoisobutyric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2-Aminoisobutyric acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FUOOLUPWFVMBKG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058772 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000097.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000097.txt index a0365bfad8d..928d4effdba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000097.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000097.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000097 -RECORD_TITLE: 2-Aminoisobutyric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2-Aminoisobutyric acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FUOOLUPWFVMBKG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058772 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000098.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000098.txt index 032484b86cb..7c3d5497b9f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000098.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000098.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000098 -RECORD_TITLE: 1-Amino-1-cyclopentanecarboxylic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 1-Amino-1-cyclopentanecarboxylic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NILQLFBWTXNUOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024475 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000099.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000099.txt index 0c6d6038cbb..a226a68e63a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000099.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000099.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000099 -RECORD_TITLE: 1-Amino-1-cyclopentanecarboxylic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 1-Amino-1-cyclopentanecarboxylic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NILQLFBWTXNUOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024475 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000100.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000100.txt index 581d40a52ac..fa9c60a8563 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000100.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000100.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000100 -RECORD_TITLE: 1-Amino-1-cyclopentanecarboxylic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 1-Amino-1-cyclopentanecarboxylic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NILQLFBWTXNUOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024475 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000101.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000101.txt index a630a794119..05e1b39d573 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000101.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000101 -RECORD_TITLE: 1-Amino-1-cyclopentanecarboxylic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 1-Amino-1-cyclopentanecarboxylic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NILQLFBWTXNUOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024475 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000102.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000102.txt index 39009c4ca51..95549702300 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000102.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000102 -RECORD_TITLE: 1-Amino-1-cyclopentanecarboxylic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 1-Amino-1-cyclopentanecarboxylic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NILQLFBWTXNUOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024475 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000103.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000103.txt index 3ad5da67f75..ea7a572e669 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000103.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000103 -RECORD_TITLE: 6-Aminohexanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 6-Aminohexanoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SLXKOJJOQWFEFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020070 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000104.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000104.txt index f5ffaa71d67..311d0a9b116 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000104.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000104 -RECORD_TITLE: 6-Aminohexanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 6-Aminohexanoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SLXKOJJOQWFEFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020070 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000105.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000105.txt index a64c2b94d70..1094e2806a0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000105.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000105 -RECORD_TITLE: 6-Aminohexanoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 6-Aminohexanoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SLXKOJJOQWFEFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020070 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000106.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000106.txt index 12dfa714922..70d1387d173 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000106.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000106 -RECORD_TITLE: 6-Aminohexanoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 6-Aminohexanoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SLXKOJJOQWFEFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020070 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000107.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000107.txt index a8e2b71fcad..a5f80662c9f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000107.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000107 -RECORD_TITLE: 6-Aminohexanoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 6-Aminohexanoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SLXKOJJOQWFEFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020070 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000108.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000108.txt index 146f68a131d..f856af24d09 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000108.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000108 -RECORD_TITLE: Ciliatine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Ciliatine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY QQVDJLLNRSOCEL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10174362 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000109.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000109.txt index 0bf76a0b473..13267b44bb9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000109.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000109 -RECORD_TITLE: Ciliatine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Ciliatine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY QQVDJLLNRSOCEL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10174362 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000110.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000110.txt index 3e2074ad278..561e1bffe40 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000110.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000110.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000110 -RECORD_TITLE: Ciliatine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Ciliatine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY QQVDJLLNRSOCEL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10174362 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000111.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000111.txt index 08fb55b1a43..14f93e8bbeb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000111.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000111.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000111 -RECORD_TITLE: Ciliatine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Ciliatine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY QQVDJLLNRSOCEL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10174362 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000112.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000112.txt index ff2754b11f7..4a0c368be86 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000112.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000112.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000112 -RECORD_TITLE: Ciliatine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Ciliatine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY QQVDJLLNRSOCEL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10174362 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000113.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000113.txt index 3fa88bd5a2b..9f87296fedc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000113.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000113.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000113 -RECORD_TITLE: 1-Aminoethylphosphonic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 1-Aminoethylphosphonic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY UIQSKEDQPSEGAU-UWTATZPHSA-N CH$LINK: COMPTOX DTXSID10976121 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000114.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000114.txt index 6293231e915..c55b4a01c06 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000114.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000114.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000114 -RECORD_TITLE: 1-Aminoethylphosphonic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 1-Aminoethylphosphonic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY UIQSKEDQPSEGAU-UWTATZPHSA-N CH$LINK: COMPTOX DTXSID10976121 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000115.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000115.txt index 910ee28e9c8..a08175b18a1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000115.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000115.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000115 -RECORD_TITLE: 1-Aminoethylphosphonic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 1-Aminoethylphosphonic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY UIQSKEDQPSEGAU-UWTATZPHSA-N CH$LINK: COMPTOX DTXSID10976121 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000116.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000116.txt index 8b730f6dc31..da8aafbb41d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000116.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000116.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000116 -RECORD_TITLE: 1-Aminoethylphosphonic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 1-Aminoethylphosphonic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY UIQSKEDQPSEGAU-UWTATZPHSA-N CH$LINK: COMPTOX DTXSID10976121 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000117.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000117.txt index d7a1be1090f..aa63c16ba10 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000117.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000117.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000117 -RECORD_TITLE: 1-Aminoethylphosphonic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 1-Aminoethylphosphonic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY UIQSKEDQPSEGAU-UWTATZPHSA-N CH$LINK: COMPTOX DTXSID10976121 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000118.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000118.txt index 884d16f3243..17726c44eb2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000118.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000118.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000118 -RECORD_TITLE: S-Carboxymethyl-L-cysteine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: S-Carboxymethyl-L-cysteine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY GBFLZEXEOZUWRN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30110060 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000119.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000119.txt index 8055ba28eb4..a67d4dcd435 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000119.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000119.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000119 -RECORD_TITLE: S-Carboxymethyl-L-cysteine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: S-Carboxymethyl-L-cysteine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY GBFLZEXEOZUWRN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30110060 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000120.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000120.txt index a1d10116113..574e515ce5a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000120.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000120.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000120 -RECORD_TITLE: S-Carboxymethyl-L-cysteine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: S-Carboxymethyl-L-cysteine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY GBFLZEXEOZUWRN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30110060 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000121.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000121.txt index e9e5f7a3af1..d1405294c4f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000121.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000121.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000121 -RECORD_TITLE: S-Carboxymethyl-L-cysteine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: S-Carboxymethyl-L-cysteine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY GBFLZEXEOZUWRN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30110060 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000122.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000122.txt index e8aceaf7551..e712957ae08 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000122.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000122.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000122 -RECORD_TITLE: S-Carboxymethyl-L-cysteine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: S-Carboxymethyl-L-cysteine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY GBFLZEXEOZUWRN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30110060 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000123.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000123.txt index 9f965b90e4a..090adf5f6d3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000123.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000123.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000123 -RECORD_TITLE: Azelaic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Azelaic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY BDJRBEYXGGNYIS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021640 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000124.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000124.txt index d822949e44d..3be94a0fb14 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000124.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000124.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000124 -RECORD_TITLE: Azelaic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Azelaic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY BDJRBEYXGGNYIS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021640 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000125.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000125.txt index 09b8d2cafbe..1049e11a8f2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000125.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000125.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000125 -RECORD_TITLE: Azelaic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Azelaic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY BDJRBEYXGGNYIS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021640 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000126.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000126.txt index 852c20b9374..3ce2b1472b7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000126.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000126.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000126 -RECORD_TITLE: Azelaic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Azelaic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY BDJRBEYXGGNYIS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021640 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000127.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000127.txt index fcccf9fdb88..d6686981802 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000127.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000127.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000127 -RECORD_TITLE: Azelaic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Azelaic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY BDJRBEYXGGNYIS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021640 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000128.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000128.txt index b64959b2ff4..ef1992e189e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000128.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000128.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000128 -RECORD_TITLE: N-Acetylmethionine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: N-Acetylmethionine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XUYPXLNMDZIRQH-LURJTMIESA-N CH$LINK: COMPTOX DTXSID00883214 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000129.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000129.txt index 0b7f3b3cd87..d4c0582ef63 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000129.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000129.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000129 -RECORD_TITLE: N-Acetylmethionine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: N-Acetylmethionine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XUYPXLNMDZIRQH-LURJTMIESA-N CH$LINK: COMPTOX DTXSID00883214 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000130.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000130.txt index ae2fef73838..95c4eacf095 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000130.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000130.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000130 -RECORD_TITLE: N-Acetylmethionine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: N-Acetylmethionine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XUYPXLNMDZIRQH-LURJTMIESA-N CH$LINK: COMPTOX DTXSID00883214 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000131.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000131.txt index 316b54139bc..83865a77d27 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000131.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000131.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000131 -RECORD_TITLE: N-Acetylmethionine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: N-Acetylmethionine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XUYPXLNMDZIRQH-LURJTMIESA-N CH$LINK: COMPTOX DTXSID00883214 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000132.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000132.txt index 7f00049e2b4..9d9c5aac74f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000132.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000132.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000132 -RECORD_TITLE: N-Acetylmethionine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: N-Acetylmethionine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XUYPXLNMDZIRQH-LURJTMIESA-N CH$LINK: COMPTOX DTXSID00883214 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000133.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000133.txt index 517e22f57ef..2063d723eb9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000133.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000133.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000133 -RECORD_TITLE: N-Acetylphenylalanine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: N-Acetylphenylalanine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY CBQJSKKFNMDLON-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID20883539 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000134.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000134.txt index eb3197723f1..95caa9f9992 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000134.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000134.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000134 -RECORD_TITLE: N-Acetylphenylalanine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: N-Acetylphenylalanine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY CBQJSKKFNMDLON-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID20883539 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000135.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000135.txt index f96bf6da2c8..9c1c13666ec 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000135.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000135.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000135 -RECORD_TITLE: N-Acetylphenylalanine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: N-Acetylphenylalanine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY CBQJSKKFNMDLON-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID20883539 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000136.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000136.txt index cb76d423eac..f340d97711c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000136.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000136.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000136 -RECORD_TITLE: N-Acetylphenylalanine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: N-Acetylphenylalanine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY CBQJSKKFNMDLON-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID20883539 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000137.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000137.txt index aef3835cdf1..1dcadd78680 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000137.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000137.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000137 -RECORD_TITLE: N-Acetylphenylalanine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: N-Acetylphenylalanine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY CBQJSKKFNMDLON-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID20883539 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000138.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000138.txt index 8b8f6b675fb..b14afcf7cc7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000138.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000138.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000138 -RECORD_TITLE: Acyclovir; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Acyclovir; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MKUXAQIIEYXACX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022556 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000139.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000139.txt index c6ac8344f58..5a348c93426 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000139.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000139.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000139 -RECORD_TITLE: Acyclovir; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Acyclovir; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MKUXAQIIEYXACX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022556 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000140.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000140.txt index 6e4e768ecbe..5382f769936 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000140.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000140.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000140 -RECORD_TITLE: Acyclovir; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Acyclovir; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MKUXAQIIEYXACX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022556 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000141.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000141.txt index d1cd75134aa..2d5f44280bb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000141.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000141.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000141 -RECORD_TITLE: Acyclovir; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Acyclovir; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MKUXAQIIEYXACX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022556 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000142.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000142.txt index 05b8c9d0b02..d2df6ca3f34 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000142.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000142.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000142 -RECORD_TITLE: Acyclovir; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Acyclovir; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MKUXAQIIEYXACX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022556 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000143.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000143.txt index 00f8afb1b82..2d2baa2a786 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000143.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000143.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000143 -RECORD_TITLE: N-Acetylhistidine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: N-Acetylhistidine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:75619 CH$LINK: INCHIKEY KBOJOGQFRVVWBH-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000144.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000144.txt index ed00b530378..c7b26db97c1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000144.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000144.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000144 -RECORD_TITLE: N-Acetylhistidine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: N-Acetylhistidine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:75619 CH$LINK: INCHIKEY KBOJOGQFRVVWBH-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000145.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000145.txt index 6265257dae1..23ceabd5d7d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000145.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000145.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000145 -RECORD_TITLE: N-Acetylhistidine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: N-Acetylhistidine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:75619 CH$LINK: INCHIKEY KBOJOGQFRVVWBH-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000146.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000146.txt index 7bcd6da3fba..ca1f1b983a4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000146.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000146.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000146 -RECORD_TITLE: N-Acetylhistidine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: N-Acetylhistidine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:75619 CH$LINK: INCHIKEY KBOJOGQFRVVWBH-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000147.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000147.txt index 13e45c629e6..01791170381 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000147.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000147.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000147 -RECORD_TITLE: N-Acetylhistidine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: N-Acetylhistidine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:75619 CH$LINK: INCHIKEY KBOJOGQFRVVWBH-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000148.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000148.txt index fa0da70b8a3..c26fa3b8e42 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000148.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000148.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000148 -RECORD_TITLE: Adipic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Adipic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY WNLRTRBMVRJNCN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021605 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000149.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000149.txt index c2b9f56868f..86699628f4c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000149.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000149.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000149 -RECORD_TITLE: Adipic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Adipic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY WNLRTRBMVRJNCN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021605 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000150.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000150.txt index 31ce999d070..3350704da63 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000150.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000150.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000150 -RECORD_TITLE: Adipic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Adipic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY WNLRTRBMVRJNCN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021605 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000151.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000151.txt index 76743a99d0a..703b9902f09 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000151.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000151.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000151 -RECORD_TITLE: Adipic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Adipic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY WNLRTRBMVRJNCN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021605 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000152.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000152.txt index 277ab563ad8..9ee6b44da54 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000152.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000152.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000152 -RECORD_TITLE: Adipic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Adipic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY WNLRTRBMVRJNCN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021605 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000153.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000153.txt index 7f9679cd877..b4eeed3bc61 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000153.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000153.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000153 -RECORD_TITLE: D-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: D-2-Aminobutyric acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:439691 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-GSVOUGTGSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000154.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000154.txt index d2d145bc617..91129c7d9fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000154.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000154.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000154 -RECORD_TITLE: D-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: D-2-Aminobutyric acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:439691 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-GSVOUGTGSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000155.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000155.txt index 3d5d6d0f937..ca8e636246d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000155.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000155.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000155 -RECORD_TITLE: D-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: D-2-Aminobutyric acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:439691 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-GSVOUGTGSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000156.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000156.txt index cf51bc07a18..1b33d48e526 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000156.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000156.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000156 -RECORD_TITLE: 4-Acetylbutyric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 4-Acetylbutyric acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY MGTZCLMLSSAXLD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9062855 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000157.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000157.txt index cd8c8c7133c..4fe20f3def4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000157.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000157.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000157 -RECORD_TITLE: 4-Acetylbutyric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 4-Acetylbutyric acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY MGTZCLMLSSAXLD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9062855 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000158.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000158.txt index 9b460f4bf80..7289efe96fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000158.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000158.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000158 -RECORD_TITLE: 4-Acetylbutyric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 4-Acetylbutyric acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY MGTZCLMLSSAXLD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9062855 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000159.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000159.txt index 0ce42335663..37333f97dd1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000159.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000159.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000159 -RECORD_TITLE: 4-Acetylbutyric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 4-Acetylbutyric acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY MGTZCLMLSSAXLD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9062855 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000160.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000160.txt index d2f8cb377c8..1a19a6efee6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000160.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000160.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000160 -RECORD_TITLE: 4-Acetylbutyric acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 4-Acetylbutyric acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY MGTZCLMLSSAXLD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9062855 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000161.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000161.txt index b9b99c5a870..6299e8434db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000161.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000161.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000161 -RECORD_TITLE: Nw-Acetylhistamine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Nw-Acetylhistamine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY XJWPISBUKWZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40217670 CH$LINK: ChemOnt CHEMONTID:0001093; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000162.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000162.txt index a8633ab9788..f4acf5f8aaa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000162.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000162.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000162 -RECORD_TITLE: Nw-Acetylhistamine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Nw-Acetylhistamine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY XJWPISBUKWZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40217670 CH$LINK: ChemOnt CHEMONTID:0001093; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000163.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000163.txt index e7479fc5a0a..a7d34a3feba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000163.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000163.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000163 -RECORD_TITLE: Nw-Acetylhistamine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Nw-Acetylhistamine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY XJWPISBUKWZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40217670 CH$LINK: ChemOnt CHEMONTID:0001093; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000164.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000164.txt index 056fe75f70f..57aa733239f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000164.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000164.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000164 -RECORD_TITLE: Nw-Acetylhistamine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Nw-Acetylhistamine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY XJWPISBUKWZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40217670 CH$LINK: ChemOnt CHEMONTID:0001093; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000165.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000165.txt index 12c4fa5e4df..c667edbd189 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000165.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000165.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000165 -RECORD_TITLE: Nw-Acetylhistamine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Nw-Acetylhistamine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY XJWPISBUKWZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40217670 CH$LINK: ChemOnt CHEMONTID:0001093; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000166.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000166.txt index a3c61c7055f..6f517a6d976 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000166.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000166.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000166 -RECORD_TITLE: 2-Aminoadipic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2-Aminoadipic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:92136 CH$LINK: INCHIKEY OYIFNHCXNCRBQI-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000167.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000167.txt index 4f4c8082bc3..3dd581ae1ec 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000167.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000167.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000167 -RECORD_TITLE: 2-Aminoadipic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2-Aminoadipic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:92136 CH$LINK: INCHIKEY OYIFNHCXNCRBQI-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000168.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000168.txt index db8dfeb1e6d..a43a89f9b39 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000168.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000168.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000168 -RECORD_TITLE: 2-Aminoadipic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2-Aminoadipic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:92136 CH$LINK: INCHIKEY OYIFNHCXNCRBQI-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000169.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000169.txt index f7f3736ed02..a3c85f8f8d5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000169.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000169.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000169 -RECORD_TITLE: 2-Aminoadipic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2-Aminoadipic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:92136 CH$LINK: INCHIKEY OYIFNHCXNCRBQI-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000170.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000170.txt index 82477743c37..69b9b30780c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000170.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000170.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000170 -RECORD_TITLE: 2-Aminoadipic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 2-Aminoadipic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:92136 CH$LINK: INCHIKEY OYIFNHCXNCRBQI-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000171.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000171.txt index 0327db0f2d9..f0b4fcbb553 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000171.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000171.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000171 -RECORD_TITLE: trans-Aconitic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: trans-Aconitic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GTZCVFVGUGFEME-HNQUOIGGSA-N CH$LINK: COMPTOX DTXSID1048706 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000172.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000172.txt index ed1747b0309..ff9c3590f95 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000172.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000172.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000172 -RECORD_TITLE: trans-Aconitic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: trans-Aconitic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GTZCVFVGUGFEME-HNQUOIGGSA-N CH$LINK: COMPTOX DTXSID1048706 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000173.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000173.txt index 9411ba4f581..3d5759053e2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000173.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000173.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000173 -RECORD_TITLE: trans-Aconitic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: trans-Aconitic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GTZCVFVGUGFEME-HNQUOIGGSA-N CH$LINK: COMPTOX DTXSID1048706 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000174.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000174.txt index 63f26775031..a509b832c73 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000174.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000174.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000174 -RECORD_TITLE: trans-Aconitic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: trans-Aconitic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GTZCVFVGUGFEME-HNQUOIGGSA-N CH$LINK: COMPTOX DTXSID1048706 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000175.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000175.txt index 30ead179f77..724e79592e1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000175.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000175.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000175 -RECORD_TITLE: trans-Aconitic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: trans-Aconitic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GTZCVFVGUGFEME-HNQUOIGGSA-N CH$LINK: COMPTOX DTXSID1048706 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000176.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000176.txt index 0a672470ed8..bde3f7b0ab8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000176.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000176.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000176 -RECORD_TITLE: N-Acetyl-alpha-D-glucosamine 1-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: N-Acetyl-alpha-D-glucosamine 1-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FZLJPEPAYPUMMR-FMDGEEDCSA-N CH$LINK: COMPTOX DTXSID00179902 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000177.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000177.txt index c611c445c46..32d90d76f09 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000177.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000177.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000177 -RECORD_TITLE: N-Acetyl-alpha-D-glucosamine 1-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: N-Acetyl-alpha-D-glucosamine 1-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FZLJPEPAYPUMMR-FMDGEEDCSA-N CH$LINK: COMPTOX DTXSID00179902 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000178.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000178.txt index 3232c9cacb7..076884be198 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000178.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000178.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000178 -RECORD_TITLE: N-Acetyl-alpha-D-glucosamine 1-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: N-Acetyl-alpha-D-glucosamine 1-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FZLJPEPAYPUMMR-FMDGEEDCSA-N CH$LINK: COMPTOX DTXSID00179902 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000179.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000179.txt index f02adf6151b..b0105bad445 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000179.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000179.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000179 -RECORD_TITLE: N-Acetyl-alpha-D-glucosamine 1-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: N-Acetyl-alpha-D-glucosamine 1-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FZLJPEPAYPUMMR-FMDGEEDCSA-N CH$LINK: COMPTOX DTXSID00179902 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000180.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000180.txt index 40c9d7f4413..005db901261 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000180.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000180.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000180 -RECORD_TITLE: N-Acetyl-alpha-D-glucosamine 1-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: N-Acetyl-alpha-D-glucosamine 1-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FZLJPEPAYPUMMR-FMDGEEDCSA-N CH$LINK: COMPTOX DTXSID00179902 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000181.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000181.txt index 1097dc67f96..dd6101474bc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000181.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000181.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000181 -RECORD_TITLE: beta-Ala-Lys; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: beta-Ala-Lys; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440638 CH$LINK: INCHIKEY PLDCWKCPEXNWJH-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000182.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000182.txt index 9a4bc5adce5..71efbf93aa2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000182.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000182.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000182 -RECORD_TITLE: beta-Ala-Lys; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: beta-Ala-Lys; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440638 CH$LINK: INCHIKEY PLDCWKCPEXNWJH-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000183.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000183.txt index 8741b7c2c1d..9301bcb52ef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000183.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000183.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000183 -RECORD_TITLE: beta-Ala-Lys; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: beta-Ala-Lys; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440638 CH$LINK: INCHIKEY PLDCWKCPEXNWJH-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000184.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000184.txt index 1039f61f833..b2191b57eb5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000184.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000184.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000184 -RECORD_TITLE: beta-Ala-Lys; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: beta-Ala-Lys; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440638 CH$LINK: INCHIKEY PLDCWKCPEXNWJH-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000185.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000185.txt index b0898ea317c..373ed04c159 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000185.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000185.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000185 -RECORD_TITLE: beta-Ala-Lys; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: beta-Ala-Lys; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440638 CH$LINK: INCHIKEY PLDCWKCPEXNWJH-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000186.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000186.txt index a3c7862aac3..ebffae2c949 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000186.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000186.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000186 -RECORD_TITLE: Acetylenedicarboxylic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Acetylenedicarboxylic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY YTIVTFGABIZHHX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3059715 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000187.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000187.txt index 2733c27455d..a322bfa193b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000187.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000187.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000187 -RECORD_TITLE: Acetylenedicarboxylic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Acetylenedicarboxylic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY YTIVTFGABIZHHX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3059715 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000188.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000188.txt index 37bc1eb69fc..2000e149393 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000188.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000188.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000188 -RECORD_TITLE: Acetylenedicarboxylic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Acetylenedicarboxylic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY YTIVTFGABIZHHX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3059715 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000189.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000189.txt index bbec05447a5..942c6789f11 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000189.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000189.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000189 -RECORD_TITLE: Acetylenedicarboxylic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Acetylenedicarboxylic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY YTIVTFGABIZHHX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3059715 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000190.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000190.txt index 5023f37d79a..cdf3360c1fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000190.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000190.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000190 -RECORD_TITLE: 4-Aminosalicylic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 4-Aminosalicylic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY WUBBRNOQWQTFEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022591 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000191.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000191.txt index 8d0ceaa4212..cbbd7e10909 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000191.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000191.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000191 -RECORD_TITLE: 4-Aminosalicylic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 4-Aminosalicylic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY WUBBRNOQWQTFEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022591 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000192.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000192.txt index 338f35d1609..ae7b0dbb10e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000192.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000192.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000192 -RECORD_TITLE: 4-Aminosalicylic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 4-Aminosalicylic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY WUBBRNOQWQTFEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022591 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000193.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000193.txt index 383067331db..37c5a85a17e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000193.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000193.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000193 -RECORD_TITLE: 4-Aminosalicylic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 4-Aminosalicylic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY WUBBRNOQWQTFEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022591 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000194.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000194.txt index 179b84c18e8..3ec2e60ae39 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000194.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000194.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000194 -RECORD_TITLE: 4-Aminosalicylic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 4-Aminosalicylic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY WUBBRNOQWQTFEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022591 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000195.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000195.txt index 99124e981b9..ca8abacf06a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000195.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000195.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000195 -RECORD_TITLE: Acetanilide; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Acetanilide; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FZERHIULMFGESH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022543 CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000196.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000196.txt index 17810accffe..96476fa8722 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000196.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000196.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000196 -RECORD_TITLE: Acetanilide; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Acetanilide; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FZERHIULMFGESH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022543 CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000197.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000197.txt index f9de1efbebe..073012e69be 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000197.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000197.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000197 -RECORD_TITLE: Acetanilide; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Acetanilide; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FZERHIULMFGESH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022543 CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000198.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000198.txt index da79ecddf8c..5241e554489 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000198.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000198.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000198 -RECORD_TITLE: Acetanilide; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Acetanilide; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FZERHIULMFGESH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022543 CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000199.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000199.txt index 3ccb1ea0a5b..84a446b1b81 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000199.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000199.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000199 -RECORD_TITLE: Acetanilide; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Acetanilide; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FZERHIULMFGESH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022543 CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000200.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000200.txt index 640e67c2841..deea77ea3ae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000200.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000200.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000200 -RECORD_TITLE: 2-Amino-3-phosphonopropionate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2-Amino-3-phosphonopropionate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LBTABPSJONFLPO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40863590 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000201.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000201.txt index 3b2fd75d096..f9767cef73a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000201.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000201 -RECORD_TITLE: 2-Amino-3-phosphonopropionate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2-Amino-3-phosphonopropionate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LBTABPSJONFLPO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40863590 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000202.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000202.txt index 2a9a264039a..a38bed1bfb3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000202.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000202 -RECORD_TITLE: 2-Amino-3-phosphonopropionate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2-Amino-3-phosphonopropionate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LBTABPSJONFLPO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40863590 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000203.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000203.txt index 6e4e940a967..4653ad1c2cf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000203.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000203 -RECORD_TITLE: 2-Amino-3-phosphonopropionate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2-Amino-3-phosphonopropionate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LBTABPSJONFLPO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40863590 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000204.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000204.txt index 8fad2d91b51..e5c737bd045 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000204.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000204 -RECORD_TITLE: 2-Amino-3-phosphonopropionate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 2-Amino-3-phosphonopropionate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LBTABPSJONFLPO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40863590 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000205.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000205.txt index 650f5d1deb3..347a3c6168e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000205.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000205 -RECORD_TITLE: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UUOKFMHZSA-N CH$LINK: COMPTOX DTXSID10904363 CH$LINK: ChemOnt CHEMONTID:0001420; Organic compounds; Nucleosides, nucleotides, and analogues; Imidazole ribonucleosides and ribonucleotides; 1-ribosyl-imidazolecarboxamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000206.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000206.txt index 42ed8a1a0a0..cff891539b5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000206.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000206 -RECORD_TITLE: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UUOKFMHZSA-N CH$LINK: COMPTOX DTXSID10904363 CH$LINK: ChemOnt CHEMONTID:0001420; Organic compounds; Nucleosides, nucleotides, and analogues; Imidazole ribonucleosides and ribonucleotides; 1-ribosyl-imidazolecarboxamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000207.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000207.txt index b976fdca37b..ed4953a8486 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000207.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000207 -RECORD_TITLE: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UUOKFMHZSA-N CH$LINK: COMPTOX DTXSID10904363 CH$LINK: ChemOnt CHEMONTID:0001420; Organic compounds; Nucleosides, nucleotides, and analogues; Imidazole ribonucleosides and ribonucleotides; 1-ribosyl-imidazolecarboxamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000208.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000208.txt index 6dd15839305..9934e844a65 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000208.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000208 -RECORD_TITLE: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UUOKFMHZSA-N CH$LINK: COMPTOX DTXSID10904363 CH$LINK: ChemOnt CHEMONTID:0001420; Organic compounds; Nucleosides, nucleotides, and analogues; Imidazole ribonucleosides and ribonucleotides; 1-ribosyl-imidazolecarboxamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000209.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000209.txt index 5a0abbeec3f..1638248c749 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000209.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000209 -RECORD_TITLE: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UUOKFMHZSA-N CH$LINK: COMPTOX DTXSID10904363 CH$LINK: ChemOnt CHEMONTID:0001420; Organic compounds; Nucleosides, nucleotides, and analogues; Imidazole ribonucleosides and ribonucleotides; 1-ribosyl-imidazolecarboxamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000210.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000210.txt index b6e3dfc204c..de6b13b7f14 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000210.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000210.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000210 -RECORD_TITLE: 5-Aminopentanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 5-Aminopentanoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JJMDCOVWQOJGCB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70216212 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000211.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000211.txt index 26cce261a9a..918ee52de4c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000211.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000211.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000211 -RECORD_TITLE: 5-Aminopentanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 5-Aminopentanoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JJMDCOVWQOJGCB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70216212 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000212.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000212.txt index 45bf03e8c16..8827d30daf3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000212.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000212.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000212 -RECORD_TITLE: 5-Aminopentanoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 5-Aminopentanoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JJMDCOVWQOJGCB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70216212 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000213.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000213.txt index 32f3555cb10..3fdb709c51c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000213.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000213.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000213 -RECORD_TITLE: 5-Amino-4-imidazolecarboxamide; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 5-Amino-4-imidazolecarboxamide; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY DVNYTAVYBRSTGK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059891 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000214.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000214.txt index 4e1bbae7083..3962935e89e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000214.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000214.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000214 -RECORD_TITLE: 5-Amino-4-imidazolecarboxamide; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 5-Amino-4-imidazolecarboxamide; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY DVNYTAVYBRSTGK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059891 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000215.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000215.txt index 45ae7d42ffe..bfbf1b2d3f1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000215.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000215.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000215 -RECORD_TITLE: 5-Amino-4-imidazolecarboxamide; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 5-Amino-4-imidazolecarboxamide; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY DVNYTAVYBRSTGK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059891 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000216.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000216.txt index f0587b7bdea..334fd418551 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000216.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000216.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000216 -RECORD_TITLE: 5-Amino-4-imidazolecarboxamide; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 5-Amino-4-imidazolecarboxamide; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY DVNYTAVYBRSTGK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059891 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000217.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000217.txt index 6abbfc07c34..003b8fdb7da 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000217.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000217.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000217 -RECORD_TITLE: 5-Amino-4-imidazolecarboxamide; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 5-Amino-4-imidazolecarboxamide; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY DVNYTAVYBRSTGK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059891 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000218.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000218.txt index 75e6c07e220..39322e1a618 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000218.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000218.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000218 -RECORD_TITLE: N-Acetyl-beta-alanine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: N-Acetyl-beta-alanine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LJLLAWRMBZNPMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90184343 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000219.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000219.txt index 543d3a653cf..c71d611fa5e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000219.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000219.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000219 -RECORD_TITLE: N-Acetyl-beta-alanine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: N-Acetyl-beta-alanine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LJLLAWRMBZNPMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90184343 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000220.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000220.txt index 93f680fefc6..d9126af4827 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000220.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000220.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000220 -RECORD_TITLE: N-Acetyl-beta-alanine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: N-Acetyl-beta-alanine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LJLLAWRMBZNPMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90184343 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000221.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000221.txt index b15a171a67e..7f7d3e6008d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000221.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000221.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000221 -RECORD_TITLE: N-Acetyl-beta-alanine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: N-Acetyl-beta-alanine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LJLLAWRMBZNPMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90184343 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000222.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000222.txt index 8a89dc63a34..d031275e7f0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000222.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000222.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000222 -RECORD_TITLE: N-Acetyl-beta-alanine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: N-Acetyl-beta-alanine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LJLLAWRMBZNPMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90184343 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000223.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000223.txt index 5a1fec377b5..80197ebaf45 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000223.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000223.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000223 -RECORD_TITLE: Allantoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Allantoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY NUCLJNSWZCHRKL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3059187 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000224.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000224.txt index 950b2740672..148394710f1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000224.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000224.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000224 -RECORD_TITLE: Allantoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Allantoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY NUCLJNSWZCHRKL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3059187 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000225.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000225.txt index ae9f5233d75..01526fa4bc7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000225.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000225.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000225 -RECORD_TITLE: Allantoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Allantoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY NUCLJNSWZCHRKL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3059187 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000226.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000226.txt index 6f761fb351f..0f2ef336b20 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000226.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000226.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000226 -RECORD_TITLE: Allantoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Allantoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY NUCLJNSWZCHRKL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3059187 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000227.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000227.txt index 195173015f4..41949fd8e5a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000227.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000227.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000227 -RECORD_TITLE: Allantoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Allantoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY NUCLJNSWZCHRKL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3059187 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000228.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000228.txt index 4f51b4403f8..f6424257db5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000228.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000228.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000228 -RECORD_TITLE: L-Anserine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-Anserine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MYYIAHXIVFADCU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID30973950 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000229.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000229.txt index 64b923af410..8c23d4573cd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000229.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000229.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000229 -RECORD_TITLE: L-Anserine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-Anserine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MYYIAHXIVFADCU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID30973950 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000230.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000230.txt index 7de759d86f2..c0439262c85 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000230.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000230.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000230 -RECORD_TITLE: L-Anserine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-Anserine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MYYIAHXIVFADCU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID30973950 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000231.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000231.txt index d76e0b52dce..d94104d1ac6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000231.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000231.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000231 -RECORD_TITLE: L-Anserine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: L-Anserine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MYYIAHXIVFADCU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID30973950 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000232.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000232.txt index 958aa25bfd3..b11773bfcbd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000232.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000232.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000232 -RECORD_TITLE: L-Anserine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: L-Anserine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MYYIAHXIVFADCU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID30973950 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000233.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000233.txt index 6ef697299f8..6779944e489 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000233.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000233.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000233 -RECORD_TITLE: N-Acetyl-L-aspartic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: N-Acetyl-L-aspartic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY OTCCIMWXFLJLIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40897219 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000234.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000234.txt index 8f4e8cba781..4957056ddd9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000234.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000234.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000234 -RECORD_TITLE: N-Acetyl-L-aspartic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: N-Acetyl-L-aspartic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY OTCCIMWXFLJLIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40897219 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000235.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000235.txt index 07185033a7a..ca3cb8380b7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000235.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000235.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000235 -RECORD_TITLE: N-Acetyl-L-aspartic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: N-Acetyl-L-aspartic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY OTCCIMWXFLJLIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40897219 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000236.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000236.txt index a012138ebba..61884da9aa8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000236.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000236.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000236 -RECORD_TITLE: N-Acetyl-L-aspartic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: N-Acetyl-L-aspartic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY OTCCIMWXFLJLIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40897219 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000237.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000237.txt index 0da9602e670..e76f66749ef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000237.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000237.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000237 -RECORD_TITLE: N-Acetyl-L-aspartic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: N-Acetyl-L-aspartic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY OTCCIMWXFLJLIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40897219 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000238.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000238.txt index 05894269ef7..166279e86a6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000238.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000238.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000238 -RECORD_TITLE: N-Acetyl-D-glucosamine 6-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: N-Acetyl-D-glucosamine 6-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440996 CH$LINK: INCHIKEY BRGMHAYQAZFZDJ-RTRLPJTCSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000239.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000239.txt index 074fda21a8c..8de6c09830b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000239.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000239.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000239 -RECORD_TITLE: N-Acetyl-D-glucosamine 6-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: N-Acetyl-D-glucosamine 6-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440996 CH$LINK: INCHIKEY BRGMHAYQAZFZDJ-RTRLPJTCSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000240.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000240.txt index a7dfe74f26e..0df5fd9e7d7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000240.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000240.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000240 -RECORD_TITLE: N-Acetyl-D-glucosamine 6-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: N-Acetyl-D-glucosamine 6-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440996 CH$LINK: INCHIKEY BRGMHAYQAZFZDJ-RTRLPJTCSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000241.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000241.txt index c22132a6c7f..6cf260d9aa8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000241.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000241.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000241 -RECORD_TITLE: N-Acetyl-D-glucosamine 6-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: N-Acetyl-D-glucosamine 6-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440996 CH$LINK: INCHIKEY BRGMHAYQAZFZDJ-RTRLPJTCSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000242.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000242.txt index 8bc80f0c082..5670cf89e37 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000242.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000242.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000242 -RECORD_TITLE: N-Acetyl-D-glucosamine 6-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: N-Acetyl-D-glucosamine 6-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440996 CH$LINK: INCHIKEY BRGMHAYQAZFZDJ-RTRLPJTCSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000243.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000243.txt index a3d2e91f4dd..1144c842334 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000243.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000243.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000243 -RECORD_TITLE: N-Acetyl-L-Leucine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: N-Acetyl-L-Leucine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY WXNXCEHXYPACJF-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID6045870 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000244.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000244.txt index 403095d256f..c2bf9023aed 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000244.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000244.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000244 -RECORD_TITLE: N-Acetyl-L-Leucine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: N-Acetyl-L-Leucine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY WXNXCEHXYPACJF-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID6045870 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000245.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000245.txt index b36f45eb5ce..6fe3617ebf6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000245.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000245.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000245 -RECORD_TITLE: N-Acetyl-L-Leucine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: N-Acetyl-L-Leucine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY WXNXCEHXYPACJF-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID6045870 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000246.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000246.txt index 6b3229419b9..a6c0ca0b66c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000246.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000246.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000246 -RECORD_TITLE: N-Acetyl-L-Leucine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: N-Acetyl-L-Leucine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY WXNXCEHXYPACJF-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID6045870 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000247.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000247.txt index 0c38a261f89..68595ec39c1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000247.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000247.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000247 -RECORD_TITLE: N-Acetyl-L-Leucine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: N-Acetyl-L-Leucine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY WXNXCEHXYPACJF-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID6045870 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000248.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000248.txt index 30cc736ff16..d98ea69214c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000248.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000248.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000248 -RECORD_TITLE: D-Arabinose 5-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: D-Arabinose 5-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:188324 CH$LINK: INCHIKEY PPQRONHOSHZGFQ-WDCZJNDASA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000249.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000249.txt index 45e4649c647..39f719db6de 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000249.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000249.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000249 -RECORD_TITLE: D-Arabinose 5-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: D-Arabinose 5-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:188324 CH$LINK: INCHIKEY PPQRONHOSHZGFQ-WDCZJNDASA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000250.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000250.txt index faf74b1b3e9..7c796674498 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000250.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000250.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000250 -RECORD_TITLE: D-Arabinose 5-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: D-Arabinose 5-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:188324 CH$LINK: INCHIKEY PPQRONHOSHZGFQ-WDCZJNDASA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000251.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000251.txt index d6ecab2659c..2f96af74340 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000251.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000251.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000251 -RECORD_TITLE: D-Arabinose 5-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: D-Arabinose 5-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:188324 CH$LINK: INCHIKEY PPQRONHOSHZGFQ-WDCZJNDASA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000252.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000252.txt index 5025bed869d..4f814122aff 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000252.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000252.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000252 -RECORD_TITLE: D-Arabinose 5-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: D-Arabinose 5-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:188324 CH$LINK: INCHIKEY PPQRONHOSHZGFQ-WDCZJNDASA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000253.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000253.txt index 5c5520bf784..b585afe83a9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000253.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000253.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000253 -RECORD_TITLE: p-Anisic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: p-Anisic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ZEYHEAKUIGZSGI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4059205 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000254.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000254.txt index b11c8ee1fec..d180429f384 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000254.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000254.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000254 -RECORD_TITLE: p-Anisic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: p-Anisic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ZEYHEAKUIGZSGI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4059205 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000255.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000255.txt index a0fe759d4bb..9f07c8c5d10 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000255.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000255.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000255 -RECORD_TITLE: p-Anisic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: p-Anisic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ZEYHEAKUIGZSGI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4059205 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000256.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000256.txt index 3a8e949db55..9205c058d84 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000256.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000256.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000256 -RECORD_TITLE: p-Anisic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: p-Anisic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ZEYHEAKUIGZSGI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4059205 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000257.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000257.txt index 91b787f454b..efdc03edc09 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000257.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000257.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000257 -RECORD_TITLE: p-Anisic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: p-Anisic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ZEYHEAKUIGZSGI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4059205 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000258.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000258.txt index f75f4ed09df..34311942de6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000258.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000258.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000258 -RECORD_TITLE: Acetoacetamide; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Acetoacetamide; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GCPWJFKTWGFEHH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1040164 CH$LINK: ChemOnt CHEMONTID:0000331; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty amides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000259.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000259.txt index 8202c710b27..922af6e5b0d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000259.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000259.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000259 -RECORD_TITLE: Acetoacetamide; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Acetoacetamide; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GCPWJFKTWGFEHH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1040164 CH$LINK: ChemOnt CHEMONTID:0000331; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty amides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000260.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000260.txt index f6fd76994e5..ee07850bab6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000260.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000260.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000260 -RECORD_TITLE: Acetoacetamide; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Acetoacetamide; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GCPWJFKTWGFEHH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1040164 CH$LINK: ChemOnt CHEMONTID:0000331; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty amides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000261.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000261.txt index c2bc0b132ea..ab338259e17 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000261.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000261.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000261 -RECORD_TITLE: Acetoacetamide; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Acetoacetamide; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GCPWJFKTWGFEHH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1040164 CH$LINK: ChemOnt CHEMONTID:0000331; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty amides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000262.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000262.txt index eb3fe32e354..588cae71893 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000262.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000262.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000262 -RECORD_TITLE: Acetoacetamide; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Acetoacetamide; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GCPWJFKTWGFEHH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1040164 CH$LINK: ChemOnt CHEMONTID:0000331; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty amides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000263.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000263.txt index 6f139fb5140..8139e482c00 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000263.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000263.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000263 -RECORD_TITLE: Ne-Acetyllysine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Ne-Acetyllysine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:92832 CH$LINK: INCHIKEY DTERQYGMUDWYAZ-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000264.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000264.txt index d5e3b27ac30..01df24ea550 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000264.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000264.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000264 -RECORD_TITLE: Ne-Acetyllysine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Ne-Acetyllysine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:92832 CH$LINK: INCHIKEY DTERQYGMUDWYAZ-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000265.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000265.txt index 3527b6a48fb..affcb3c0483 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000265.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000265.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000265 -RECORD_TITLE: Ne-Acetyllysine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Ne-Acetyllysine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:92832 CH$LINK: INCHIKEY DTERQYGMUDWYAZ-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000266.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000266.txt index 3c0fe9f4335..d9cf5378f61 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000266.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000266.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000266 -RECORD_TITLE: Ne-Acetyllysine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Ne-Acetyllysine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:92832 CH$LINK: INCHIKEY DTERQYGMUDWYAZ-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000267.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000267.txt index c7942a1bbb9..5b7d70de3ae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000267.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000267.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000267 -RECORD_TITLE: Ne-Acetyllysine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Ne-Acetyllysine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:92832 CH$LINK: INCHIKEY DTERQYGMUDWYAZ-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000268.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000268.txt index 62a1db6490b..526984fdba7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000268.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000268.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000268 -RECORD_TITLE: 3-Amino-3-(4-hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 3-Amino-3-(4-hydroxyphenyl)propionic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440311 CH$LINK: INCHIKEY JYPHNHPXFNEZBR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000269.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000269.txt index 5aaf34af0fd..de55879477d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000269.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000269.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000269 -RECORD_TITLE: 3-Amino-3-(4-hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 3-Amino-3-(4-hydroxyphenyl)propionic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440311 CH$LINK: INCHIKEY JYPHNHPXFNEZBR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000270.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000270.txt index 469f149b219..2d1ef30cf2f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000270.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000270.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000270 -RECORD_TITLE: 3-Amino-3-(4-hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 3-Amino-3-(4-hydroxyphenyl)propionic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440311 CH$LINK: INCHIKEY JYPHNHPXFNEZBR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000271.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000271.txt index ad1744eeee3..494fcdf1f56 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000271.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000271.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000271 -RECORD_TITLE: 3-Amino-3-(4-hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 3-Amino-3-(4-hydroxyphenyl)propionic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440311 CH$LINK: INCHIKEY JYPHNHPXFNEZBR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000272.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000272.txt index f4b5f5f1d8e..b3193fc1f4c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000272.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000272.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000272 -RECORD_TITLE: 3-Amino-3-(4-hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 3-Amino-3-(4-hydroxyphenyl)propionic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440311 CH$LINK: INCHIKEY JYPHNHPXFNEZBR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000273.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000273.txt index 5f47a9fcf66..a5d77e5e933 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000273.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000273.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000273 -RECORD_TITLE: 8-Anilino-1-naphthalene sulfonic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 8-Anilino-1-naphthalene sulfonic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FWEOQOXTVHGIFQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7058882 CH$LINK: ChemOnt CHEMONTID:0003597; Organic compounds; Benzenoids; Naphthalenes; Naphthalene sulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000274.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000274.txt index ad7fdbcf85a..4d3ea447311 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000274.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000274.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000274 -RECORD_TITLE: 8-Anilino-1-naphthalene sulfonic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 8-Anilino-1-naphthalene sulfonic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FWEOQOXTVHGIFQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7058882 CH$LINK: ChemOnt CHEMONTID:0003597; Organic compounds; Benzenoids; Naphthalenes; Naphthalene sulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000275.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000275.txt index 686e337e7c6..f2c415a4716 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000275.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000275.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000275 -RECORD_TITLE: 8-Anilino-1-naphthalene sulfonic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 8-Anilino-1-naphthalene sulfonic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FWEOQOXTVHGIFQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7058882 CH$LINK: ChemOnt CHEMONTID:0003597; Organic compounds; Benzenoids; Naphthalenes; Naphthalene sulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000276.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000276.txt index eb69b0be080..958e6c24f81 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000276.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000276.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000276 -RECORD_TITLE: 8-Anilino-1-naphthalene sulfonic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 8-Anilino-1-naphthalene sulfonic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FWEOQOXTVHGIFQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7058882 CH$LINK: ChemOnt CHEMONTID:0003597; Organic compounds; Benzenoids; Naphthalenes; Naphthalene sulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000277.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000277.txt index de34e97c99f..226683d31b8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000277.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000277.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000277 -RECORD_TITLE: 8-Anilino-1-naphthalene sulfonic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 8-Anilino-1-naphthalene sulfonic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FWEOQOXTVHGIFQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7058882 CH$LINK: ChemOnt CHEMONTID:0003597; Organic compounds; Benzenoids; Naphthalenes; Naphthalene sulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000278.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000278.txt index 208312e048a..397376a8b45 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000278.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000278.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000278 -RECORD_TITLE: N-Acetylgalactosamine 6-sulfate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: N-Acetylgalactosamine 6-sulfate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WJFVEEAIYIOATH-JAJWTYFOSA-N CH$LINK: COMPTOX DTXSID00331482 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000279.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000279.txt index d08f10e4777..065ac70476e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000279.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000279.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000279 -RECORD_TITLE: N-Acetylgalactosamine 6-sulfate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: N-Acetylgalactosamine 6-sulfate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WJFVEEAIYIOATH-JAJWTYFOSA-N CH$LINK: COMPTOX DTXSID00331482 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000280.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000280.txt index 4ece7366754..c9a7b02a133 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000280.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000280.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000280 -RECORD_TITLE: N-Acetylgalactosamine 6-sulfate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: N-Acetylgalactosamine 6-sulfate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WJFVEEAIYIOATH-JAJWTYFOSA-N CH$LINK: COMPTOX DTXSID00331482 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000281.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000281.txt index 62f22948552..59b04525aad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000281.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000281.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000281 -RECORD_TITLE: N-Acetylgalactosamine 6-sulfate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: N-Acetylgalactosamine 6-sulfate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WJFVEEAIYIOATH-JAJWTYFOSA-N CH$LINK: COMPTOX DTXSID00331482 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000282.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000282.txt index f0329689ca1..b539c580e55 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000282.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000282.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000282 -RECORD_TITLE: N-Acetylgalactosamine 6-sulfate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: N-Acetylgalactosamine 6-sulfate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WJFVEEAIYIOATH-JAJWTYFOSA-N CH$LINK: COMPTOX DTXSID00331482 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000283.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000283.txt index 5a36a9d8843..7103c04d735 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000283.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000283.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000283 -RECORD_TITLE: 2-Amino-2-methylbutanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2-Amino-2-methylbutanoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:94744 CH$LINK: INCHIKEY GCHPUFAZSONQIV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000284.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000284.txt index eef1d5a3603..3d907ad4d13 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000284.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000284.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000284 -RECORD_TITLE: 2-Amino-2-methylbutanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2-Amino-2-methylbutanoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:94744 CH$LINK: INCHIKEY GCHPUFAZSONQIV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000285.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000285.txt index 894b52258bf..1993081cd30 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000285.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000285.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000285 -RECORD_TITLE: 2-Amino-2-methylbutanoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2-Amino-2-methylbutanoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:94744 CH$LINK: INCHIKEY GCHPUFAZSONQIV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000286.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000286.txt index 1e802ef1d32..7cd248e3a32 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000286.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000286.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000286 -RECORD_TITLE: 2-Amino-2-methylbutanoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2-Amino-2-methylbutanoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:94744 CH$LINK: INCHIKEY GCHPUFAZSONQIV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000287.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000287.txt index 9ce2fd0082d..281b5b8319a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000287.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000287.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000287 -RECORD_TITLE: N-Acetylmuramic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: N-Acetylmuramic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5462244 CH$LINK: INCHIKEY MNLRQHMNZILYPY-MKFCKLDKSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000288.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000288.txt index df57581966f..1a69e379335 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000288.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000288.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000288 -RECORD_TITLE: N-Acetylmuramic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: N-Acetylmuramic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5462244 CH$LINK: INCHIKEY MNLRQHMNZILYPY-MKFCKLDKSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000289.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000289.txt index 07318ff721d..7b9d9af7f35 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000289.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000289.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000289 -RECORD_TITLE: N-Acetylmuramic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: N-Acetylmuramic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5462244 CH$LINK: INCHIKEY MNLRQHMNZILYPY-MKFCKLDKSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000290.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000290.txt index e234fdd3c1e..b4243f34395 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000290.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000290.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000290 -RECORD_TITLE: N-Acetylmuramic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: N-Acetylmuramic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5462244 CH$LINK: INCHIKEY MNLRQHMNZILYPY-MKFCKLDKSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000291.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000291.txt index 3d6de0c25a7..b364ab7f513 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000291.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000291.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000291 -RECORD_TITLE: N-Acetylmuramic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: N-Acetylmuramic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5462244 CH$LINK: INCHIKEY MNLRQHMNZILYPY-MKFCKLDKSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000292.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000292.txt index c1009e1509e..7c9b5956dd0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000292.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000292.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000292 -RECORD_TITLE: Hydroxyatrazine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Hydroxyatrazine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY NFMIMWNQWAWNDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6037807 CH$LINK: ChemOnt CHEMONTID:0004105; Organic compounds; Organoheterocyclic compounds; Triazines; 1,3,5-triazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000293.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000293.txt index ca9a96be2a0..7c091efd90f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000293.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000293.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000293 -RECORD_TITLE: Hydroxyatrazine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Hydroxyatrazine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY NFMIMWNQWAWNDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6037807 CH$LINK: ChemOnt CHEMONTID:0004105; Organic compounds; Organoheterocyclic compounds; Triazines; 1,3,5-triazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000294.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000294.txt index fda9a57e244..c4a2b8f5e90 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000294.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000294.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000294 -RECORD_TITLE: Hydroxyatrazine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Hydroxyatrazine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY NFMIMWNQWAWNDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6037807 CH$LINK: ChemOnt CHEMONTID:0004105; Organic compounds; Organoheterocyclic compounds; Triazines; 1,3,5-triazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000295.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000295.txt index d0759f0e491..9c2e035c7c7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000295.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000295.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000295 -RECORD_TITLE: Hydroxyatrazine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Hydroxyatrazine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY NFMIMWNQWAWNDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6037807 CH$LINK: ChemOnt CHEMONTID:0004105; Organic compounds; Organoheterocyclic compounds; Triazines; 1,3,5-triazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000296.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000296.txt index b8b8ee82887..13bf1f3a70e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000296.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000296.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000296 -RECORD_TITLE: Hydroxyatrazine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Hydroxyatrazine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY NFMIMWNQWAWNDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6037807 CH$LINK: ChemOnt CHEMONTID:0004105; Organic compounds; Organoheterocyclic compounds; Triazines; 1,3,5-triazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000297.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000297.txt index 9f2a283e212..958bb48dd3b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000297.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000297.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000297 -RECORD_TITLE: Azetidine-2-carboxylic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Azetidine-2-carboxylic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY IADUEWIQBXOCDZ-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID0044020 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000298.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000298.txt index d1cef4cc11c..d4473ed68a7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000298.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000298.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000298 -RECORD_TITLE: Azetidine-2-carboxylic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Azetidine-2-carboxylic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY IADUEWIQBXOCDZ-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID0044020 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000299.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000299.txt index e0aa6a98e78..16632416fe6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000299.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000299.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000299 -RECORD_TITLE: Azetidine-2-carboxylic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Azetidine-2-carboxylic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY IADUEWIQBXOCDZ-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID0044020 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000300.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000300.txt index f1a8f8f61c6..6b29afc93cd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000300.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000300.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000300 -RECORD_TITLE: Dapsone; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Dapsone; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MQJKPEGWNLWLTK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020371 CH$LINK: ChemOnt CHEMONTID:0004233; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000301.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000301.txt index 21de5226ccb..faa6aede8ef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000301.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000301 -RECORD_TITLE: Dapsone; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Dapsone; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MQJKPEGWNLWLTK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020371 CH$LINK: ChemOnt CHEMONTID:0004233; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000302.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000302.txt index 754c429d25f..c474dfa9e15 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000302.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000302 -RECORD_TITLE: Dapsone; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Dapsone; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MQJKPEGWNLWLTK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020371 CH$LINK: ChemOnt CHEMONTID:0004233; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000303.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000303.txt index 0a025667c25..f9e408a3ab4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000303.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000303 -RECORD_TITLE: Dapsone; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Dapsone; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MQJKPEGWNLWLTK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020371 CH$LINK: ChemOnt CHEMONTID:0004233; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000304.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000304.txt index b8908597925..7a2ca9ea53d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000304.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000304 -RECORD_TITLE: Dapsone; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Dapsone; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MQJKPEGWNLWLTK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020371 CH$LINK: ChemOnt CHEMONTID:0004233; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000305.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000305.txt index a93be68d5b9..2e23c6b4abd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000305.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000305 -RECORD_TITLE: (Aminomethyl)phosphonic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: (Aminomethyl)phosphonic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MGRVRXRGTBOSHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5037490 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000306.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000306.txt index 43d9a86560b..9dc07971a73 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000306.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000306.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000306 -RECORD_TITLE: (Aminomethyl)phosphonic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: (Aminomethyl)phosphonic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MGRVRXRGTBOSHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5037490 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000307.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000307.txt index 466c1ad5024..1c4663441fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000307.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000307 -RECORD_TITLE: (Aminomethyl)phosphonic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: (Aminomethyl)phosphonic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MGRVRXRGTBOSHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5037490 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000308.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000308.txt index 72172627671..f1b21ec0f54 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000308.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000308.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000308 -RECORD_TITLE: (Aminomethyl)phosphonic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: (Aminomethyl)phosphonic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MGRVRXRGTBOSHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5037490 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000309.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000309.txt index f6171de52fc..8579f80ea7d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000309.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000309.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000309 -RECORD_TITLE: (Aminomethyl)phosphonic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: (Aminomethyl)phosphonic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MGRVRXRGTBOSHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5037490 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000310.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000310.txt index 98c446dfd1d..a509465a97b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000310.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000310.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000310 -RECORD_TITLE: Aminophylline; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Aminophylline; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.10.25) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000311.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000311.txt index 180de19af7c..503c6869187 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000311.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000311.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000311 -RECORD_TITLE: Aminophylline; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Aminophylline; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.10.25) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000312.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000312.txt index 705bd577d63..74b5284845c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000312.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000312.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000312 -RECORD_TITLE: Aminophylline; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Aminophylline; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.10.25) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000313.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000313.txt index 939b74fe39c..f46f18e267d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000313.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000313.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000313 -RECORD_TITLE: Aminophylline; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Aminophylline; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.10.25) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000314.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000314.txt index 76f7562dab7..684e01553d8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000314.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000314.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000314 -RECORD_TITLE: Aminophylline; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Aminophylline; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.10.25) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000315.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000315.txt index 48703c366f8..9b9688ad10e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000315.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000315.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000315 -RECORD_TITLE: L-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-2-Aminobutyric acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QWCKQJZIFLGMSD-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID10883684 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000316.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000316.txt index 12a2349e28c..14740295b54 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000316.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000316.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000316 -RECORD_TITLE: L-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-2-Aminobutyric acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QWCKQJZIFLGMSD-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID10883684 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000317.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000317.txt index 85cb6c494d7..171d2874754 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000317.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000317.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000317 -RECORD_TITLE: L-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-2-Aminobutyric acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QWCKQJZIFLGMSD-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID10883684 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000318.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000318.txt index 1163498e7a9..0797ff79e85 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000318.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000318.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000318 -RECORD_TITLE: L-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: L-2-Aminobutyric acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QWCKQJZIFLGMSD-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID10883684 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000319.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000319.txt index 00b0f4e11e9..7463ae8e2ac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000319.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000319.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000319 -RECORD_TITLE: Benzoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Benzoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY WPYMKLBDIGXBTP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6020143 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000320.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000320.txt index ae9bf73bc07..b97f00771fd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000320.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000320.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000320 -RECORD_TITLE: Benzoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Benzoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY WPYMKLBDIGXBTP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6020143 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000321.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000321.txt index ec7e5edb075..d483ba568f2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000321.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000321.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000321 -RECORD_TITLE: Benzoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Benzoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY WPYMKLBDIGXBTP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6020143 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000322.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000322.txt index 88f127a27f2..1c65dbd435d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000322.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000322.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000322 -RECORD_TITLE: Benzoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Benzoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY WPYMKLBDIGXBTP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6020143 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000323.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000323.txt index 9a91d917724..f3e5336c7a5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000323.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000323.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000323 -RECORD_TITLE: Benzyl succinic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Benzyl succinic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:444797 CH$LINK: INCHIKEY GTOFKXZQQDSVFH-SECBINFHSA-N CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000324.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000324.txt index 8ceb5cb1a4d..d8fae033ad4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000324.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000324.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000324 -RECORD_TITLE: Benzyl succinic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Benzyl succinic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:444797 CH$LINK: INCHIKEY GTOFKXZQQDSVFH-SECBINFHSA-N CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000325.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000325.txt index 4e06560238b..b6247ef4b51 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000325.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000325.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000325 -RECORD_TITLE: Benzyl succinic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Benzyl succinic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:444797 CH$LINK: INCHIKEY GTOFKXZQQDSVFH-SECBINFHSA-N CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000326.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000326.txt index 4fcb43ea4d8..9ccf541660b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000326.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000326.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000326 -RECORD_TITLE: Benzyl succinic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Benzyl succinic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:444797 CH$LINK: INCHIKEY GTOFKXZQQDSVFH-SECBINFHSA-N CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000327.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000327.txt index a41eb42b02c..1d5eb14ee66 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000327.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000327.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000327 -RECORD_TITLE: Benzyl succinic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Benzyl succinic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:444797 CH$LINK: INCHIKEY GTOFKXZQQDSVFH-SECBINFHSA-N CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000328.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000328.txt index af0513c66e9..76e450266a3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000328.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000328.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000328 -RECORD_TITLE: Butanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Butanoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY FERIUCNNQQJTOY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021515 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000329.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000329.txt index c71bea8f0d1..a2f4064d803 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000329.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000329.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000329 -RECORD_TITLE: Butanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Butanoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY FERIUCNNQQJTOY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021515 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000330.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000330.txt index ead850fe381..8033fb2bacc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000330.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000330.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000330 -RECORD_TITLE: Butanoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Butanoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY FERIUCNNQQJTOY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021515 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000331.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000331.txt index 532871837c8..cd6cc77d8bd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000331.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000331.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000331 -RECORD_TITLE: Benzimidazole; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Benzimidazole; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HYZJCKYKOHLVJF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024573 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000332.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000332.txt index 358c9d20808..ae2edf17d08 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000332.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000332.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000332 -RECORD_TITLE: Benzimidazole; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Benzimidazole; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HYZJCKYKOHLVJF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024573 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000333.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000333.txt index 512b10820e0..bf89d75f547 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000333.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000333.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000333 -RECORD_TITLE: Benzimidazole; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Benzimidazole; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HYZJCKYKOHLVJF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024573 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000334.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000334.txt index 530006a2aa5..6a73d0b5a13 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000334.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000334.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000334 -RECORD_TITLE: Benzimidazole; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Benzimidazole; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HYZJCKYKOHLVJF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024573 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000335.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000335.txt index 4dc6de6ff35..b9875964369 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000335.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000335.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000335 -RECORD_TITLE: Benzimidazole; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Benzimidazole; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HYZJCKYKOHLVJF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024573 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000336.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000336.txt index eb30da9853e..f5b0e0c6924 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000336.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000336.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000336 -RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY NWBJYWHLCVSVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7032630 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000337.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000337.txt index 43fbb9cc523..7405b805585 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000337.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000337.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000337 -RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY NWBJYWHLCVSVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7032630 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000338.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000338.txt index 9bd88fbb035..0c64b7fc793 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000338.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000338.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000338 -RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY NWBJYWHLCVSVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7032630 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000339.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000339.txt index 6d292522e2a..34aabccbdca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000339.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000339.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000339 -RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY NWBJYWHLCVSVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7032630 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000340.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000340.txt index 7c4d03ac1a1..6c07edde535 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000340.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000340.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000340 -RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY NWBJYWHLCVSVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7032630 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000341.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000341.txt index 8581c1f2d41..b7d234d230d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000341.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000341.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000341 -RECORD_TITLE: Bestatin; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Bestatin; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439299 CH$LINK: INCHIKEY VGGGPCQERPFHOB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000342.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000342.txt index b6bc27db0e6..8869b8059af 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000342.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000342.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000342 -RECORD_TITLE: Bestatin; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Bestatin; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439299 CH$LINK: INCHIKEY VGGGPCQERPFHOB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000343.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000343.txt index afb642d5c68..25e4d667840 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000343.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000343.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000343 -RECORD_TITLE: Bestatin; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Bestatin; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439299 CH$LINK: INCHIKEY VGGGPCQERPFHOB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000344.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000344.txt index a6726516b86..1429f9ec16c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000344.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000344.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000344 -RECORD_TITLE: Bestatin; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Bestatin; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439299 CH$LINK: INCHIKEY VGGGPCQERPFHOB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000345.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000345.txt index 0786c959f5b..2b796af09c2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000345.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000345.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000345 -RECORD_TITLE: Bestatin; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Bestatin; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439299 CH$LINK: INCHIKEY VGGGPCQERPFHOB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000346.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000346.txt index 0c905782afb..933dcd580f7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000346.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000346.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000346 -RECORD_TITLE: Blasticidin S; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Blasticidin S; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439625 CH$LINK: INCHIKEY CXNPLSGKWMLZPZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000347.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000347.txt index 59438175760..fc4059ede89 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000347.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000347.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000347 -RECORD_TITLE: Blasticidin S; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Blasticidin S; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439625 CH$LINK: INCHIKEY CXNPLSGKWMLZPZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000348.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000348.txt index 2d229e876e4..3d829e340d7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000348.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000348.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000348 -RECORD_TITLE: Blasticidin S; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Blasticidin S; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439625 CH$LINK: INCHIKEY CXNPLSGKWMLZPZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000349.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000349.txt index 0f1097e07e9..ae248ac0b43 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000349.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000349.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000349 -RECORD_TITLE: Blasticidin S; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Blasticidin S; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439625 CH$LINK: INCHIKEY CXNPLSGKWMLZPZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000350.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000350.txt index e467a538193..0de0609baa7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000350.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000350.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000350 -RECORD_TITLE: Blasticidin S; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Blasticidin S; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439625 CH$LINK: INCHIKEY CXNPLSGKWMLZPZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000351.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000351.txt index 7a1933bc99e..0e5b2fdd88b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000351.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000351.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000351 -RECORD_TITLE: Biotin; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Biotin; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY YBJHBAHKTGYVGT-ZKWXMUAHSA-N CH$LINK: COMPTOX DTXSID7022679 CH$LINK: ChemOnt CHEMONTID:0000244; Organic compounds; Organoheterocyclic compounds; Biotin and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000352.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000352.txt index e296b813d6c..86bf2d9d8f0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000352.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000352.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000352 -RECORD_TITLE: Biotin; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Biotin; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY YBJHBAHKTGYVGT-ZKWXMUAHSA-N CH$LINK: COMPTOX DTXSID7022679 CH$LINK: ChemOnt CHEMONTID:0000244; Organic compounds; Organoheterocyclic compounds; Biotin and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000353.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000353.txt index 4bd8ae5fe1c..ff0517ec648 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000353.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000353.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000353 -RECORD_TITLE: Biotin; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Biotin; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY YBJHBAHKTGYVGT-ZKWXMUAHSA-N CH$LINK: COMPTOX DTXSID7022679 CH$LINK: ChemOnt CHEMONTID:0000244; Organic compounds; Organoheterocyclic compounds; Biotin and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000354.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000354.txt index 8c7fb5e93ce..adb465fe806 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000354.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000354.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000354 -RECORD_TITLE: Biotin; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Biotin; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY YBJHBAHKTGYVGT-ZKWXMUAHSA-N CH$LINK: COMPTOX DTXSID7022679 CH$LINK: ChemOnt CHEMONTID:0000244; Organic compounds; Organoheterocyclic compounds; Biotin and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000355.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000355.txt index 4d44abd1e15..e7eb63bd8e9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000355.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000355.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000355 -RECORD_TITLE: Biotin; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Biotin; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY YBJHBAHKTGYVGT-ZKWXMUAHSA-N CH$LINK: COMPTOX DTXSID7022679 CH$LINK: ChemOnt CHEMONTID:0000244; Organic compounds; Organoheterocyclic compounds; Biotin and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000356.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000356.txt index 187a5a0d549..9053d1de420 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000356.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000356.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000356 -RECORD_TITLE: N-alpha-t-Boc-asparagine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: N-alpha-t-Boc-asparagine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FYYSQDHBALBGHX-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80884401 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000357.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000357.txt index c76250a305f..829999b3eb5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000357.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000357.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000357 -RECORD_TITLE: N-alpha-t-Boc-asparagine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: N-alpha-t-Boc-asparagine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FYYSQDHBALBGHX-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80884401 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000358.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000358.txt index 23af45b99b0..6d7f8436198 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000358.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000358.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000358 -RECORD_TITLE: N-alpha-t-Boc-asparagine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: N-alpha-t-Boc-asparagine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FYYSQDHBALBGHX-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80884401 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000359.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000359.txt index d76b04d0262..5ee5abbf959 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000359.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000359.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000359 -RECORD_TITLE: N-alpha-t-Boc-asparagine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: N-alpha-t-Boc-asparagine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FYYSQDHBALBGHX-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80884401 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000360.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000360.txt index d088e8e644d..34efa974574 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000360.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000360.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000360 -RECORD_TITLE: N-alpha-t-Boc-asparagine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: N-alpha-t-Boc-asparagine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FYYSQDHBALBGHX-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80884401 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000361.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000361.txt index 80673f9e6fd..9aa75816bfa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000361.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000361.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000361 -RECORD_TITLE: Benzoylformic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Benzoylformic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY FAQJJMHZNSSFSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80209993 CH$LINK: ChemOnt CHEMONTID:0000321; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000362.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000362.txt index d5be805b795..a2af3a6730a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000362.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000362.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000362 -RECORD_TITLE: Benzoylformic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Benzoylformic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY FAQJJMHZNSSFSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80209993 CH$LINK: ChemOnt CHEMONTID:0000321; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000363.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000363.txt index 71ed50d88c4..15fd8d4f23e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000363.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000363.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000363 -RECORD_TITLE: Benzoylformic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Benzoylformic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY FAQJJMHZNSSFSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80209993 CH$LINK: ChemOnt CHEMONTID:0000321; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000364.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000364.txt index e92139e6e82..2e67339396a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000364.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000364.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000364 -RECORD_TITLE: Benzoylformic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Benzoylformic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY FAQJJMHZNSSFSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80209993 CH$LINK: ChemOnt CHEMONTID:0000321; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000365.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000365.txt index d930d45c264..20fdfc1a067 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000365.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000365.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000365 -RECORD_TITLE: Benzoylformic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Benzoylformic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY FAQJJMHZNSSFSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80209993 CH$LINK: ChemOnt CHEMONTID:0000321; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000366.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000366.txt index 0804f7d7444..516004afdb2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000366.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000366.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000366 -RECORD_TITLE: Bis(p-nitrophenyl)phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Bis(p-nitrophenyl)phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MHSVUSZEHNVFKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20870742 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000367.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000367.txt index 9db50cbc2d4..d15812800da 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000367.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000367.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000367 -RECORD_TITLE: Bis(p-nitrophenyl)phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Bis(p-nitrophenyl)phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MHSVUSZEHNVFKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20870742 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000368.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000368.txt index 1bad713c36c..a1b985abf2a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000368.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000368.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000368 -RECORD_TITLE: Bis(p-nitrophenyl)phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Bis(p-nitrophenyl)phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MHSVUSZEHNVFKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20870742 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000369.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000369.txt index a53fecdb9ed..13b8ce6a53b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000369.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000369.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000369 -RECORD_TITLE: Bis(p-nitrophenyl)phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Bis(p-nitrophenyl)phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MHSVUSZEHNVFKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20870742 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000370.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000370.txt index c580c2237ca..3d975cf8b41 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000370.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000370.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000370 -RECORD_TITLE: Bis(p-nitrophenyl)phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Bis(p-nitrophenyl)phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MHSVUSZEHNVFKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20870742 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000371.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000371.txt index e3fe1477c89..ad50330bf9c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000371.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000371.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000371 -RECORD_TITLE: Bentazon; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Bentazon; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ZOMSMJKLGFBRBS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023901 CH$LINK: ChemOnt CHEMONTID:0002448; Organic compounds; Benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000372.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000372.txt index a0b7b3c79a7..f8987495820 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000372.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000372.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000372 -RECORD_TITLE: Bentazon; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Bentazon; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ZOMSMJKLGFBRBS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023901 CH$LINK: ChemOnt CHEMONTID:0002448; Organic compounds; Benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000373.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000373.txt index 96b90dce80a..5b7514d4d49 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000373.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000373.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000373 -RECORD_TITLE: Bentazon; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Bentazon; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ZOMSMJKLGFBRBS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023901 CH$LINK: ChemOnt CHEMONTID:0002448; Organic compounds; Benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000374.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000374.txt index b129a4359f9..371a31e2f78 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000374.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000374.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000374 -RECORD_TITLE: Bentazon; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Bentazon; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ZOMSMJKLGFBRBS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023901 CH$LINK: ChemOnt CHEMONTID:0002448; Organic compounds; Benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000375.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000375.txt index fa572374444..4782e350eb2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000375.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000375.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000375 -RECORD_TITLE: Bentazon; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Bentazon; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ZOMSMJKLGFBRBS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023901 CH$LINK: ChemOnt CHEMONTID:0002448; Organic compounds; Benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000376.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000376.txt index be2270a2cb8..2be66e98bef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000376.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000376.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000376 -RECORD_TITLE: Bumetanide; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Bumetanide; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY MAEIEVLCKWDQJH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022699 CH$LINK: ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000377.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000377.txt index d0dbb9e5824..6700b66ad31 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000377.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000377.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000377 -RECORD_TITLE: Bumetanide; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Bumetanide; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY MAEIEVLCKWDQJH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022699 CH$LINK: ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000378.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000378.txt index 5d4a0bcf4d3..c8b6d04b09b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000378.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000378.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000378 -RECORD_TITLE: Bumetanide; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Bumetanide; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY MAEIEVLCKWDQJH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022699 CH$LINK: ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000379.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000379.txt index 36d1f53717d..e9db8daa0be 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000379.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000379.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000379 -RECORD_TITLE: Bumetanide; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Bumetanide; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY MAEIEVLCKWDQJH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022699 CH$LINK: ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000380.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000380.txt index a2b85e0f65a..438e279f0d3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000380.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000380.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000380 -RECORD_TITLE: Bumetanide; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Bumetanide; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY MAEIEVLCKWDQJH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022699 CH$LINK: ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000381.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000381.txt index dab22d218b9..b60ee58a958 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000381.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000381.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000381 -RECORD_TITLE: Citric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Citric acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KRKNYBCHXYNGOX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020332 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000382.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000382.txt index c0f179c0739..68d77c8e6f0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000382.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000382.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000382 -RECORD_TITLE: Citric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Citric acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KRKNYBCHXYNGOX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020332 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000383.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000383.txt index 5657da8e55d..6b2fc11e71b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000383.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000383.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000383 -RECORD_TITLE: Citric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Citric acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KRKNYBCHXYNGOX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020332 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000384.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000384.txt index c9c4346f0ff..ce41be86f89 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000384.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000384.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000384 -RECORD_TITLE: Citric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Citric acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KRKNYBCHXYNGOX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020332 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000385.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000385.txt index e92b585c11a..ddc586c73cd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000385.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000385.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000385 -RECORD_TITLE: Citric acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Citric acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KRKNYBCHXYNGOX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020332 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000386.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000386.txt index 8c53c2090bf..5acdd0ae47d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000386.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000386.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000386 -RECORD_TITLE: L-Carnosine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-Carnosine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CQOVPNPJLQNMDC-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID80879594 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000387.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000387.txt index 2e86c4f10b0..cbbaa6ae05c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000387.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000387.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000387 -RECORD_TITLE: L-Carnosine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-Carnosine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CQOVPNPJLQNMDC-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID80879594 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000388.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000388.txt index 65ccb5f3181..012e213e191 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000388.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000388.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000388 -RECORD_TITLE: L-Carnosine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-Carnosine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CQOVPNPJLQNMDC-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID80879594 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000389.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000389.txt index f69e5168bc8..e2c94f76ade 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000389.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000389.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000389 -RECORD_TITLE: L-Carnosine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: L-Carnosine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CQOVPNPJLQNMDC-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID80879594 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000390.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000390.txt index 4342c746e41..7e14ec61509 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000390.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000390.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000390 -RECORD_TITLE: L-Carnosine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: L-Carnosine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CQOVPNPJLQNMDC-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID80879594 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000391.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000391.txt index 2a0b30d9bed..a5cd1676f94 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000391.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000391.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000391 -RECORD_TITLE: L-Citrulline; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-Citrulline; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY RHGKLRLOHDJJDR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID80883373 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000392.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000392.txt index 015d14ae5b3..0304b17a3ef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000392.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000392.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000392 -RECORD_TITLE: L-Citrulline; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-Citrulline; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY RHGKLRLOHDJJDR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID80883373 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000393.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000393.txt index e2a398ef378..9090b2310fb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000393.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000393.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000393 -RECORD_TITLE: L-Citrulline; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-Citrulline; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY RHGKLRLOHDJJDR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID80883373 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000394.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000394.txt index f068739b0e0..2603a5867e9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000394.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000394.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000394 -RECORD_TITLE: L-Citrulline; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: L-Citrulline; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY RHGKLRLOHDJJDR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID80883373 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000395.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000395.txt index 2b0244b9999..5cd2bf3fdf1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000395.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000395.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000395 -RECORD_TITLE: L-Citrulline; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: L-Citrulline; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY RHGKLRLOHDJJDR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID80883373 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000396.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000396.txt index 9019d1a506e..51919abdb2b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000396.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000396.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000396 -RECORD_TITLE: L-Cysteine Sulfinic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-Cysteine Sulfinic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ADVPTQAUNPRNPO-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20862546 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000397.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000397.txt index 834c4f90948..8fab8630c10 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000397.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000397.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000397 -RECORD_TITLE: L-Cysteine Sulfinic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-Cysteine Sulfinic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ADVPTQAUNPRNPO-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20862546 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000398.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000398.txt index dab2b1c2064..9e93abec06c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000398.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000398.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000398 -RECORD_TITLE: L-Cysteine Sulfinic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-Cysteine Sulfinic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ADVPTQAUNPRNPO-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20862546 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000399.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000399.txt index a2e81fa2e69..2709b29c2a6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000399.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000399.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000399 -RECORD_TITLE: L-Cysteine Sulfinic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: L-Cysteine Sulfinic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ADVPTQAUNPRNPO-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20862546 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000400.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000400.txt index 721a81c5869..8679a6bf742 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000400.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000400.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000400 -RECORD_TITLE: L-Cysteine Sulfinic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: L-Cysteine Sulfinic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ADVPTQAUNPRNPO-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20862546 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000401.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000401.txt index e076ab4fecf..31c2048c1e3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000401.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000401 -RECORD_TITLE: trans-Cinnamic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: trans-Cinnamic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY WBYWAXJHAXSJNI-VOTSOKGWSA-N CH$LINK: COMPTOX DTXSID5022489 CH$LINK: ChemOnt CHEMONTID:0002504; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Cinnamic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000402.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000402.txt index 5a2f6a00f1d..c60e79c222a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000402.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000402 -RECORD_TITLE: trans-Cinnamic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: trans-Cinnamic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY WBYWAXJHAXSJNI-VOTSOKGWSA-N CH$LINK: COMPTOX DTXSID5022489 CH$LINK: ChemOnt CHEMONTID:0002504; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Cinnamic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000403.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000403.txt index c8b49b57af9..d4d5958c929 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000403.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000403 -RECORD_TITLE: trans-Cinnamic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: trans-Cinnamic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY WBYWAXJHAXSJNI-VOTSOKGWSA-N CH$LINK: COMPTOX DTXSID5022489 CH$LINK: ChemOnt CHEMONTID:0002504; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Cinnamic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000404.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000404.txt index dbdbfae1b1a..73d40dc16aa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000404.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000404 -RECORD_TITLE: trans-Cinnamic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: trans-Cinnamic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY WBYWAXJHAXSJNI-VOTSOKGWSA-N CH$LINK: COMPTOX DTXSID5022489 CH$LINK: ChemOnt CHEMONTID:0002504; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Cinnamic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000405.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000405.txt index 0cc5954c4e6..deedd0a6f5d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000405.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000405 -RECORD_TITLE: trans-Cinnamic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: trans-Cinnamic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY WBYWAXJHAXSJNI-VOTSOKGWSA-N CH$LINK: COMPTOX DTXSID5022489 CH$LINK: ChemOnt CHEMONTID:0002504; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Cinnamic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000406.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000406.txt index e3587655965..2da7b5b3f1f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000406.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000406.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000406 -RECORD_TITLE: 4-Coumaric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 4-Coumaric acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY NGSWKAQJJWESNS-ZZXKWVIFSA-N CH$LINK: COMPTOX DTXSID30901076 CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000407.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000407.txt index 234cb807b79..948a0c3de6a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000407.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000407 -RECORD_TITLE: 4-Coumaric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 4-Coumaric acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY NGSWKAQJJWESNS-ZZXKWVIFSA-N CH$LINK: COMPTOX DTXSID30901076 CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000408.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000408.txt index 5cb64bb0d07..66293213a2a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000408.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000408 -RECORD_TITLE: 4-Coumaric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 4-Coumaric acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY NGSWKAQJJWESNS-ZZXKWVIFSA-N CH$LINK: COMPTOX DTXSID30901076 CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000409.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000409.txt index 657d788b50b..19ff7057379 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000409.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000409 -RECORD_TITLE: 4-Coumaric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 4-Coumaric acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY NGSWKAQJJWESNS-ZZXKWVIFSA-N CH$LINK: COMPTOX DTXSID30901076 CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000410.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000410.txt index c738ba80907..3ece5489f0d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000410.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000410.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000410 -RECORD_TITLE: 4-Coumaric acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 4-Coumaric acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY NGSWKAQJJWESNS-ZZXKWVIFSA-N CH$LINK: COMPTOX DTXSID30901076 CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000411.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000411.txt index 5d70207c9db..668c6e613f2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000411.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000411.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000411 -RECORD_TITLE: Carbamoylaspartic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Carbamoylaspartic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:93072 CH$LINK: INCHIKEY HLKXYZVTANABHZ-REOHCLBHSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000412.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000412.txt index 45901d7a22c..f07a054b056 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000412.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000412.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000412 -RECORD_TITLE: Carbamoylaspartic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Carbamoylaspartic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:93072 CH$LINK: INCHIKEY HLKXYZVTANABHZ-REOHCLBHSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000413.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000413.txt index 2b1ca16fc51..515c0ffc0ae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000413.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000413.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000413 -RECORD_TITLE: Carbamoylaspartic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Carbamoylaspartic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:93072 CH$LINK: INCHIKEY HLKXYZVTANABHZ-REOHCLBHSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000414.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000414.txt index 7ff7fd8880e..738ebb8a56e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000414.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000414.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000414 -RECORD_TITLE: Carbamoylaspartic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Carbamoylaspartic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:93072 CH$LINK: INCHIKEY HLKXYZVTANABHZ-REOHCLBHSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000415.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000415.txt index cf5538d4800..016ad512993 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000415.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000415.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000415 -RECORD_TITLE: Carbamoylaspartic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Carbamoylaspartic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:93072 CH$LINK: INCHIKEY HLKXYZVTANABHZ-REOHCLBHSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000416.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000416.txt index 30e51fc2ed8..45e8a7c5a8a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000416.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000416.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000416 -RECORD_TITLE: Cytosine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Cytosine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY OPTASPLRGRRNAP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4044456 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000417.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000417.txt index 055170d3630..2e8ee419fc6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000417.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000417.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000417 -RECORD_TITLE: Cytosine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Cytosine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY OPTASPLRGRRNAP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4044456 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000418.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000418.txt index 050d65f70cb..cbe0e59440a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000418.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000418.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000418 -RECORD_TITLE: Cytosine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Cytosine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY OPTASPLRGRRNAP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4044456 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000419.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000419.txt index 71f4f9bb07e..5f815e7aed3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000419.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000419.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000419 -RECORD_TITLE: Cytosine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Cytosine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY OPTASPLRGRRNAP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4044456 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000420.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000420.txt index 898e2556791..b633508552c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000420.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000420.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000420 -RECORD_TITLE: Cytosine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Cytosine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY OPTASPLRGRRNAP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4044456 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000421.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000421.txt index cfcd56a9c7d..b0dca8101fe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000421.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000421.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000421 -RECORD_TITLE: Creatinine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Creatinine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045987 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000422.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000422.txt index 389e7f728bf..04d64ab7204 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000422.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000422.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000422 -RECORD_TITLE: Creatinine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Creatinine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045987 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000423.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000423.txt index af8fb071ecd..a3817711fe2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000423.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000423.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000423 -RECORD_TITLE: Creatinine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Creatinine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045987 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000424.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000424.txt index 71f757d32ee..4aeafba2021 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000424.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000424.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000424 -RECORD_TITLE: Creatinine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Creatinine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045987 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000425.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000425.txt index f3e398a9122..49236f735de 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000425.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000425.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000425 -RECORD_TITLE: Creatinine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Creatinine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045987 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000426.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000426.txt index bad8b82258b..f4dd9bb1fe3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000426.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000426.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000426 -RECORD_TITLE: 1-Hexanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 1-Hexanoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY FUZZWVXGSFPDMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021607 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000427.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000427.txt index dfee80bc018..b5964d1b2f1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000427.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000427.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000427 -RECORD_TITLE: 1-Hexanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 1-Hexanoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY FUZZWVXGSFPDMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021607 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000428.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000428.txt index e7711c4280c..be9433b05c6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000428.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000428.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000428 -RECORD_TITLE: 1-Hexanoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 1-Hexanoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY FUZZWVXGSFPDMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021607 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000429.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000429.txt index cb4464f31d6..01d3bc5883b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000429.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000429.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000429 -RECORD_TITLE: 1-Hexanoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 1-Hexanoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY FUZZWVXGSFPDMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021607 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000430.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000430.txt index 4b07933e712..2b4f65940c4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000430.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000430.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000430 -RECORD_TITLE: Citraconic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Citraconic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:643798 CH$LINK: INCHIKEY HNEGQIOMVPPMNR-IHWYPQMZSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000431.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000431.txt index 1f909b467ad..0582faeadf5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000431.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000431.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000431 -RECORD_TITLE: Citraconic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Citraconic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:643798 CH$LINK: INCHIKEY HNEGQIOMVPPMNR-IHWYPQMZSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000432.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000432.txt index 4cfd9401119..08b4cb5d1c3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000432.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000432.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000432 -RECORD_TITLE: Citraconic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Citraconic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:643798 CH$LINK: INCHIKEY HNEGQIOMVPPMNR-IHWYPQMZSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000433.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000433.txt index c984adf95bb..a744630def5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000433.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000433.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000433 -RECORD_TITLE: Citraconic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Citraconic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:643798 CH$LINK: INCHIKEY HNEGQIOMVPPMNR-IHWYPQMZSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000434.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000434.txt index 92a4002e5ed..e9ffc3972b7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000434.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000434.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000434 -RECORD_TITLE: Citraconic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Citraconic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:643798 CH$LINK: INCHIKEY HNEGQIOMVPPMNR-IHWYPQMZSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000435.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000435.txt index 48372ff6080..518d28310b4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000435.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000435.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000435 -RECORD_TITLE: Octanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Octanoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY WWZKQHOCKIZLMA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021645 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000436.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000436.txt index 438d3098db2..beb15f5bc1c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000436.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000436.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000436 -RECORD_TITLE: Octanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Octanoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY WWZKQHOCKIZLMA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021645 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000437.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000437.txt index 7d7e0448be1..bb972b0c85f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000437.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000437.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000437 -RECORD_TITLE: 2-Carboxybenzaldehyde; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2-Carboxybenzaldehyde; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY DYNFCHNNOHNJFG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1059490 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000438.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000438.txt index 6b25bea4c52..94a7507a067 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000438.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000438.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000438 -RECORD_TITLE: 2-Carboxybenzaldehyde; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2-Carboxybenzaldehyde; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY DYNFCHNNOHNJFG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1059490 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000439.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000439.txt index 935a921f21c..9d3b45ec05a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000439.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000439.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000439 -RECORD_TITLE: 2-Carboxybenzaldehyde; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2-Carboxybenzaldehyde; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY DYNFCHNNOHNJFG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1059490 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000440.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000440.txt index 3651d29b99a..799c8c301ce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000440.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000440.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000440 -RECORD_TITLE: 2-Carboxybenzaldehyde; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2-Carboxybenzaldehyde; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY DYNFCHNNOHNJFG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1059490 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000441.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000441.txt index ecae485d883..3816f68a4c5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000441.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000441.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000441 -RECORD_TITLE: 2-Coumaric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2-Coumaric acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY PMOWTIHVNWZYFI-AATRIKPKSA-N CH$LINK: COMPTOX DTXSID10883240 CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000442.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000442.txt index b72b7c9a13a..831aff46924 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000442.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000442.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000442 -RECORD_TITLE: 2-Coumaric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2-Coumaric acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY PMOWTIHVNWZYFI-AATRIKPKSA-N CH$LINK: COMPTOX DTXSID10883240 CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000443.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000443.txt index 33b7ee87091..312da99d0fb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000443.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000443.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000443 -RECORD_TITLE: 2-Coumaric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2-Coumaric acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY PMOWTIHVNWZYFI-AATRIKPKSA-N CH$LINK: COMPTOX DTXSID10883240 CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000444.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000444.txt index 16da9aedc90..376f993398f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000444.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000444.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000444 -RECORD_TITLE: 2-Coumaric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2-Coumaric acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY PMOWTIHVNWZYFI-AATRIKPKSA-N CH$LINK: COMPTOX DTXSID10883240 CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000445.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000445.txt index 23bd743fba9..ff2c4da409c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000445.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000445.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000445 -RECORD_TITLE: 2-Coumaric acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 2-Coumaric acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY PMOWTIHVNWZYFI-AATRIKPKSA-N CH$LINK: COMPTOX DTXSID10883240 CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000446.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000446.txt index 5be837dbcee..a445e16f1ca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000446.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000446.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000446 -RECORD_TITLE: Carbazole; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Carbazole; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UJOBWOGCFQCDNV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020248 CH$LINK: ChemOnt CHEMONTID:0000210; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000447.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000447.txt index 143ce7b9d3f..601d9ea0418 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000447.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000447.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000447 -RECORD_TITLE: Carbazole; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Carbazole; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UJOBWOGCFQCDNV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020248 CH$LINK: ChemOnt CHEMONTID:0000210; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000448.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000448.txt index 77d34689439..4192e157c52 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000448.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000448.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000448 -RECORD_TITLE: Carbazole; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Carbazole; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UJOBWOGCFQCDNV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020248 CH$LINK: ChemOnt CHEMONTID:0000210; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000449.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000449.txt index 513094cedf3..81d956428be 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000449.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000449.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000449 -RECORD_TITLE: Carbazole; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Carbazole; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UJOBWOGCFQCDNV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020248 CH$LINK: ChemOnt CHEMONTID:0000210; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000450.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000450.txt index 7d8afc40a24..dd2cba1c5f9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000450.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000450.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000450 -RECORD_TITLE: Carbazole; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Carbazole; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UJOBWOGCFQCDNV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020248 CH$LINK: ChemOnt CHEMONTID:0000210; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000451.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000451.txt index ae8281ab1ac..871bbdb7c51 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000451.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000451.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000451 -RECORD_TITLE: Chlorzoxazone; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Chlorzoxazone; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY TZFWDZFKRBELIQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022813 CH$LINK: ChemOnt CHEMONTID:0001973; Organic compounds; Organoheterocyclic compounds; Benzoxazoles; Benzoxazolones AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000452.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000452.txt index 30177e15448..eebf129e3df 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000452.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000452.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000452 -RECORD_TITLE: Chlorzoxazone; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Chlorzoxazone; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY TZFWDZFKRBELIQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022813 CH$LINK: ChemOnt CHEMONTID:0001973; Organic compounds; Organoheterocyclic compounds; Benzoxazoles; Benzoxazolones AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000453.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000453.txt index 129f1da4125..3961be159b4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000453.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000453.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000453 -RECORD_TITLE: Chlorzoxazone; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Chlorzoxazone; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY TZFWDZFKRBELIQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022813 CH$LINK: ChemOnt CHEMONTID:0001973; Organic compounds; Organoheterocyclic compounds; Benzoxazoles; Benzoxazolones AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000454.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000454.txt index 4efded8b801..5367c76c33e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000454.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000454.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000454 -RECORD_TITLE: Chlorzoxazone; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Chlorzoxazone; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY TZFWDZFKRBELIQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022813 CH$LINK: ChemOnt CHEMONTID:0001973; Organic compounds; Organoheterocyclic compounds; Benzoxazoles; Benzoxazolones AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000455.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000455.txt index 190ceb569c8..dedebaf272b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000455.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000455.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000455 -RECORD_TITLE: Chlorzoxazone; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Chlorzoxazone; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY TZFWDZFKRBELIQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022813 CH$LINK: ChemOnt CHEMONTID:0001973; Organic compounds; Organoheterocyclic compounds; Benzoxazoles; Benzoxazolones AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000456.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000456.txt index 6b13f5c55cd..fdd174d6b58 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000456.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000456.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000456 -RECORD_TITLE: Chloramphenicol; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Chloramphenicol; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY WIIZWVCIJKGZOK-IUCAKERBSA-N CH$LINK: COMPTOX DTXSID40158453 CH$LINK: ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000457.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000457.txt index e94712e9443..01548efede8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000457.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000457.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000457 -RECORD_TITLE: Chloramphenicol; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Chloramphenicol; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY WIIZWVCIJKGZOK-IUCAKERBSA-N CH$LINK: COMPTOX DTXSID40158453 CH$LINK: ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000458.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000458.txt index dd585a12a07..460fdad1791 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000458.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000458.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000458 -RECORD_TITLE: Chloramphenicol; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Chloramphenicol; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY WIIZWVCIJKGZOK-IUCAKERBSA-N CH$LINK: COMPTOX DTXSID40158453 CH$LINK: ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000459.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000459.txt index 9fdf433cd76..1c3175d5f09 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000459.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000459.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000459 -RECORD_TITLE: Chloramphenicol; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Chloramphenicol; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY WIIZWVCIJKGZOK-IUCAKERBSA-N CH$LINK: COMPTOX DTXSID40158453 CH$LINK: ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000460.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000460.txt index 0c79619b8fe..c991f1b109c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000460.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000460.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000460 -RECORD_TITLE: Chloramphenicol; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Chloramphenicol; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY WIIZWVCIJKGZOK-IUCAKERBSA-N CH$LINK: COMPTOX DTXSID40158453 CH$LINK: ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000461.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000461.txt index 7bfd5d5172b..8ddb38d5245 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000461.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000461.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000461 -RECORD_TITLE: Cholic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Cholic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-OELDTZBJSA-N CH$LINK: COMPTOX DTXSID6040660 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000462.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000462.txt index 9f38f7bf08e..df362b4f300 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000462.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000462.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000462 -RECORD_TITLE: Cholic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Cholic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-OELDTZBJSA-N CH$LINK: COMPTOX DTXSID6040660 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000463.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000463.txt index 60a39da3b3b..6bb54468274 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000463.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000463.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000463 -RECORD_TITLE: Cholic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Cholic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-OELDTZBJSA-N CH$LINK: COMPTOX DTXSID6040660 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000464.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000464.txt index e98355efd19..facc8797a87 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000464.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000464.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000464 -RECORD_TITLE: Cholic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Cholic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-OELDTZBJSA-N CH$LINK: COMPTOX DTXSID6040660 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000465.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000465.txt index 7f6cf9fff92..bc7b2cacc3a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000465.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000465.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000465 -RECORD_TITLE: Cholic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Cholic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-OELDTZBJSA-N CH$LINK: COMPTOX DTXSID6040660 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000466.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000466.txt index ff372ca977a..d323d507310 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000466.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000466.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000466 -RECORD_TITLE: Chlorogenic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Chlorogenic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: NIKKAJI J108.009A CH$LINK: PUBCHEM CID:1794427 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000467.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000467.txt index fa231992cce..5f94e6290ea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000467.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000467.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000467 -RECORD_TITLE: Chlorogenic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Chlorogenic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: NIKKAJI J108.009A CH$LINK: PUBCHEM CID:1794427 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000468.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000468.txt index ce415eafa96..f66b2c78c77 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000468.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000468.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000468 -RECORD_TITLE: Chlorogenic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Chlorogenic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: NIKKAJI J108.009A CH$LINK: PUBCHEM CID:1794427 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000469.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000469.txt index 131cafde23d..81adb78b046 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000469.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000469.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000469 -RECORD_TITLE: Chlorogenic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Chlorogenic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: NIKKAJI J108.009A CH$LINK: PUBCHEM CID:1794427 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000470.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000470.txt index aacf473464b..e6afaa1f4cf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000470.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000470.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000470 -RECORD_TITLE: Chlorogenic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Chlorogenic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: NIKKAJI J108.009A CH$LINK: PUBCHEM CID:1794427 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000471.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000471.txt index cf559d6b533..285f5443e84 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000471.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000471.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000471 -RECORD_TITLE: Thiamine pyrophosphate; LC-ESI-QQ; MS2; CE:10 V; [M-2H]- +RECORD_TITLE: Thiamine pyrophosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-2H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY AYEKOFBPNLCAJY-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID2048404 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000472.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000472.txt index 005e4ebf0f0..e652297b80a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000472.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000472.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000472 -RECORD_TITLE: Thiamine pyrophosphate; LC-ESI-QQ; MS2; CE:20 V; [M-2H]- +RECORD_TITLE: Thiamine pyrophosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-2H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY AYEKOFBPNLCAJY-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID2048404 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000473.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000473.txt index 4d7ea6506d9..f70edde4d4d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000473.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000473.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000473 -RECORD_TITLE: Thiamine pyrophosphate; LC-ESI-QQ; MS2; CE:30 V; [M-2H]- +RECORD_TITLE: Thiamine pyrophosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-2H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY AYEKOFBPNLCAJY-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID2048404 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000474.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000474.txt index 77dba47ae98..42f9579efb5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000474.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000474.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000474 -RECORD_TITLE: Thiamine pyrophosphate; LC-ESI-QQ; MS2; CE:40 V; [M-2H]- +RECORD_TITLE: Thiamine pyrophosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-2H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY AYEKOFBPNLCAJY-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID2048404 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000475.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000475.txt index d8ff5401d1d..e5c4b6a8677 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000475.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000475.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000475 -RECORD_TITLE: Thiamine pyrophosphate; LC-ESI-QQ; MS2; CE:50 V; [M-2H]- +RECORD_TITLE: Thiamine pyrophosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-2H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY AYEKOFBPNLCAJY-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID2048404 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000476.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000476.txt index 793efc5edb3..307a89affa5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000476.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000476.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000476 -RECORD_TITLE: N-Carbamylglutamic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: N-Carbamylglutamic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LCQLHJZYVOQKHU-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID7046706 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000477.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000477.txt index 64c3b6ccce6..ce4c0371cc2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000477.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000477.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000477 -RECORD_TITLE: N-Carbamylglutamic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: N-Carbamylglutamic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LCQLHJZYVOQKHU-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID7046706 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000478.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000478.txt index 7fa26bd938c..33a29b0410d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000478.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000478.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000478 -RECORD_TITLE: N-Carbamylglutamic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: N-Carbamylglutamic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LCQLHJZYVOQKHU-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID7046706 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000479.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000479.txt index 66ad849b328..80169835fe6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000479.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000479.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000479 -RECORD_TITLE: N-Carbamylglutamic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: N-Carbamylglutamic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LCQLHJZYVOQKHU-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID7046706 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000480.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000480.txt index 5647ac4e403..7665f426940 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000480.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000480.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000480 -RECORD_TITLE: N-Carbamylglutamic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: N-Carbamylglutamic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LCQLHJZYVOQKHU-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID7046706 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000481.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000481.txt index ce86c3a515e..77fdeae82ed 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000481.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000481.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000481 -RECORD_TITLE: 2-Chlorobenzoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2-Chlorobenzoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY IKCLCGXPQILATA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024771 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000482.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000482.txt index a52ff34877e..b9ebb8eb70d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000482.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000482.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000482 -RECORD_TITLE: 2-Chlorobenzoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2-Chlorobenzoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY IKCLCGXPQILATA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024771 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000483.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000483.txt index 1ae80e4cc2b..0b97a444713 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000483.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000483.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000483 -RECORD_TITLE: 2-Chlorobenzoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2-Chlorobenzoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY IKCLCGXPQILATA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024771 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000484.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000484.txt index 03e708810e7..96611a93e6f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000484.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000484.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000484 -RECORD_TITLE: 2-Chlorobenzoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2-Chlorobenzoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY IKCLCGXPQILATA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024771 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000485.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000485.txt index ed3ef2ccb7f..777a6405893 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000485.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000485.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000485 -RECORD_TITLE: 2-Chlorobenzoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 2-Chlorobenzoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY IKCLCGXPQILATA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024771 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000486.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000486.txt index 6e6b18d62f1..263be263f51 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000486.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000486.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000486 -RECORD_TITLE: Crotonic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Crotonic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY LDHQCZJRKDOVOX-NSCUHMNNSA-N CH$LINK: COMPTOX DTXSID30880973 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000487.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000487.txt index f7a618276b7..f1ef3506432 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000487.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000487.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000487 -RECORD_TITLE: Crotonic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Crotonic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY LDHQCZJRKDOVOX-NSCUHMNNSA-N CH$LINK: COMPTOX DTXSID30880973 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000488.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000488.txt index 4ab791aeeaa..35bff22cc02 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000488.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000488.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000488 -RECORD_TITLE: Crotonic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Crotonic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY LDHQCZJRKDOVOX-NSCUHMNNSA-N CH$LINK: COMPTOX DTXSID30880973 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000489.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000489.txt index f46346e94e7..5dea1a19dea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000489.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000489.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000489 -RECORD_TITLE: Crotonic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Crotonic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY LDHQCZJRKDOVOX-NSCUHMNNSA-N CH$LINK: COMPTOX DTXSID30880973 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000490.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000490.txt index 4792ff7dcaa..ae1305f85aa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000490.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000490.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000490 -RECORD_TITLE: Canavanine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Canavanine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FSBIGDSBMBYOPN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5045041 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000491.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000491.txt index 9eb2ba2b977..d6c9ae5a071 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000491.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000491.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000491 -RECORD_TITLE: Canavanine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Canavanine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FSBIGDSBMBYOPN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5045041 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000492.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000492.txt index c1f1a824f16..9531bce48bb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000492.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000492.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000492 -RECORD_TITLE: Canavanine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Canavanine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FSBIGDSBMBYOPN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5045041 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000493.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000493.txt index dacf78d8e0c..8fe06d34447 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000493.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000493.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000493 -RECORD_TITLE: Canavanine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Canavanine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FSBIGDSBMBYOPN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5045041 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000494.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000494.txt index 7c3ba1ece7d..90d665b3396 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000494.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000494.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000494 -RECORD_TITLE: Canavanine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Canavanine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FSBIGDSBMBYOPN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5045041 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000495.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000495.txt index 7de2b91a006..9bf2fba73a4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000495.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000495.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000495 -RECORD_TITLE: Cholic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Cholic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-OELDTZBJSA-N CH$LINK: COMPTOX DTXSID6040660 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000496.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000496.txt index bf221a7afff..33df4bf3120 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000496.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000496.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000496 -RECORD_TITLE: Cholic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Cholic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-OELDTZBJSA-N CH$LINK: COMPTOX DTXSID6040660 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000497.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000497.txt index 274fc2438fc..22506157db5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000497.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000497.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000497 -RECORD_TITLE: Cholic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Cholic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-OELDTZBJSA-N CH$LINK: COMPTOX DTXSID6040660 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000498.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000498.txt index 9c4a3b9860a..7e14a14b8a4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000498.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000498.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000498 -RECORD_TITLE: Cholic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Cholic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-OELDTZBJSA-N CH$LINK: COMPTOX DTXSID6040660 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000499.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000499.txt index 30b47cca328..d67c7449ff4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000499.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000499.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000499 -RECORD_TITLE: Cholic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Cholic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-OELDTZBJSA-N CH$LINK: COMPTOX DTXSID6040660 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000500.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000500.txt index 3255958355f..99d060bf09a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000500.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000500.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000500 -RECORD_TITLE: Citramalic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Citramalic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -28,7 +28,7 @@ CH$LINK: KNAPSACK C00001181 CH$LINK: PUBCHEM CID:441696 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000501.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000501.txt index 1bfc19932bf..c44ae0625e1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000501.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000501 -RECORD_TITLE: Citramalic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Citramalic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -28,7 +28,7 @@ CH$LINK: KNAPSACK C00001181 CH$LINK: PUBCHEM CID:441696 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000502.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000502.txt index 8dd7a02a242..a310bdf520b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000502.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000502 -RECORD_TITLE: Citramalic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Citramalic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -28,7 +28,7 @@ CH$LINK: KNAPSACK C00001181 CH$LINK: PUBCHEM CID:441696 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000503.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000503.txt index 94603c91f47..86866dda8eb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000503.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000503 -RECORD_TITLE: Citramalic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Citramalic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -28,7 +28,7 @@ CH$LINK: KNAPSACK C00001181 CH$LINK: PUBCHEM CID:441696 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000504.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000504.txt index c0098c8c2a9..b3c97df1770 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000504.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000504 -RECORD_TITLE: Citramalic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Citramalic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -28,7 +28,7 @@ CH$LINK: KNAPSACK C00001181 CH$LINK: PUBCHEM CID:441696 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000505.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000505.txt index be4c9ded48c..88d1320423f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000505.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000505 -RECORD_TITLE: 4-Chlorobenzoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 4-Chlorobenzoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY XRHGYUZYPHTUJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9024772 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000506.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000506.txt index 2d111a93cfd..900248fbc44 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000506.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000506 -RECORD_TITLE: 4-Chlorobenzoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 4-Chlorobenzoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY XRHGYUZYPHTUJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9024772 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000507.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000507.txt index 0d337b4205c..c65a1a06419 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000507.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000507 -RECORD_TITLE: 4-Chlorobenzoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 4-Chlorobenzoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY XRHGYUZYPHTUJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9024772 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000508.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000508.txt index a337f6793a9..8d04d61e0c7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000508.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000508 -RECORD_TITLE: 4-Chlorobenzoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 4-Chlorobenzoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY XRHGYUZYPHTUJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9024772 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000509.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000509.txt index ec76d06b74d..6b09be89e40 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000509.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000509.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000509 -RECORD_TITLE: 4-Chlorobenzoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 4-Chlorobenzoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY XRHGYUZYPHTUJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9024772 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000510.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000510.txt index b742d9883bc..9b287a8386c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000510.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000510.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000510 -RECORD_TITLE: Caffeic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Caffeic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:1549111 CH$LINK: INCHIKEY QAIPRVGONGVQAS-RQOWECAXSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000511.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000511.txt index d33132283d1..cc9d3adee30 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000511.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000511.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000511 -RECORD_TITLE: Caffeic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Caffeic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:1549111 CH$LINK: INCHIKEY QAIPRVGONGVQAS-RQOWECAXSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000512.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000512.txt index 436e9f99592..14d528a2f25 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000512.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000512.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000512 -RECORD_TITLE: Caffeic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Caffeic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:1549111 CH$LINK: INCHIKEY QAIPRVGONGVQAS-RQOWECAXSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000513.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000513.txt index b6c7c2f9738..a24abfa5075 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000513.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000513.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000513 -RECORD_TITLE: Caffeic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Caffeic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:1549111 CH$LINK: INCHIKEY QAIPRVGONGVQAS-RQOWECAXSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000514.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000514.txt index a774e16bdec..a868dacf512 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000514.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000514.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000514 -RECORD_TITLE: Caffeic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Caffeic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:1549111 CH$LINK: INCHIKEY QAIPRVGONGVQAS-RQOWECAXSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000515.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000515.txt index 85bd91db617..afd25bf34f4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000515.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000515.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000515 -RECORD_TITLE: Citramalic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Citramalic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -28,7 +28,7 @@ CH$LINK: KNAPSACK C00001181 CH$LINK: PUBCHEM CID:441696 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000516.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000516.txt index 53cf0a82bd0..b1b654bbc68 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000516.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000516.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000516 -RECORD_TITLE: Citramalic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Citramalic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -28,7 +28,7 @@ CH$LINK: KNAPSACK C00001181 CH$LINK: PUBCHEM CID:441696 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000517.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000517.txt index db90cc28439..4a61fcffb85 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000517.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000517.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000517 -RECORD_TITLE: Citramalic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Citramalic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -28,7 +28,7 @@ CH$LINK: KNAPSACK C00001181 CH$LINK: PUBCHEM CID:441696 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000518.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000518.txt index 3cdd5cda1ca..a4332454e39 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000518.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000518.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000518 -RECORD_TITLE: Citramalic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Citramalic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -28,7 +28,7 @@ CH$LINK: KNAPSACK C00001181 CH$LINK: PUBCHEM CID:441696 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000519.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000519.txt index caa0424f000..9c9cc2adc2a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000519.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000519.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000519 -RECORD_TITLE: Citramalic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Citramalic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -28,7 +28,7 @@ CH$LINK: KNAPSACK C00001181 CH$LINK: PUBCHEM CID:441696 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000520.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000520.txt index aef77cdb9f1..425f9aee684 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000520.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000520.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000520 -RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-CCXZUQQUSA-N CH$LINK: COMPTOX DTXSID3022877 CH$LINK: ChemOnt CHEMONTID:0000480; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000521.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000521.txt index f729fe53d4b..49f2e339610 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000521.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000521.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000521 -RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-CCXZUQQUSA-N CH$LINK: COMPTOX DTXSID3022877 CH$LINK: ChemOnt CHEMONTID:0000480; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000522.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000522.txt index 34922c54598..656c8415f1d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000522.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000522.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000522 -RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-CCXZUQQUSA-N CH$LINK: COMPTOX DTXSID3022877 CH$LINK: ChemOnt CHEMONTID:0000480; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000523.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000523.txt index 5d08c2f3e36..2863fcf8b5c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000523.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000523.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000523 -RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-CCXZUQQUSA-N CH$LINK: COMPTOX DTXSID3022877 CH$LINK: ChemOnt CHEMONTID:0000480; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000524.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000524.txt index 3579715c07a..e0cf81ebdf3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000524.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000524.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000524 -RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-CCXZUQQUSA-N CH$LINK: COMPTOX DTXSID3022877 CH$LINK: ChemOnt CHEMONTID:0000480; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000525.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000525.txt index eb063eeaa9f..872a08745dd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000525.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000525.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000525 -RECORD_TITLE: Cysteine S-sulfate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Cysteine S-sulfate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NOKPBJYHPHHWAN-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20167649 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000526.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000526.txt index 8209d5ff3bd..a9c4726b093 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000526.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000526.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000526 -RECORD_TITLE: Cysteine S-sulfate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Cysteine S-sulfate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NOKPBJYHPHHWAN-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20167649 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000527.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000527.txt index 632f3e2e0cd..92eb242b9d3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000527.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000527.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000527 -RECORD_TITLE: Cysteine S-sulfate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Cysteine S-sulfate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NOKPBJYHPHHWAN-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20167649 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000528.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000528.txt index 1273578e094..1ad89e5843a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000528.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000528.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000528 -RECORD_TITLE: Cysteine S-sulfate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Cysteine S-sulfate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NOKPBJYHPHHWAN-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20167649 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000529.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000529.txt index bd0c7034841..307a4d46ffd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000529.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000529.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000529 -RECORD_TITLE: Cysteine S-sulfate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Cysteine S-sulfate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NOKPBJYHPHHWAN-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20167649 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000530.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000530.txt index 4faf02d7635..bba4e370afe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000530.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000530.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000530 -RECORD_TITLE: 4-CPA; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 4-CPA; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY SODPIMGUZLOIPE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034282 CH$LINK: ChemOnt CHEMONTID:0000417; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000531.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000531.txt index 977c8b8cc08..5979b6bd724 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000531.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000531.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000531 -RECORD_TITLE: 4-CPA; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 4-CPA; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY SODPIMGUZLOIPE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034282 CH$LINK: ChemOnt CHEMONTID:0000417; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000532.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000532.txt index ca8957f0e06..032d53d3de4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000532.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000532.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000532 -RECORD_TITLE: 4-CPA; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 4-CPA; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY SODPIMGUZLOIPE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034282 CH$LINK: ChemOnt CHEMONTID:0000417; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000533.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000533.txt index bf36ec7afc6..674abe59456 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000533.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000533.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000533 -RECORD_TITLE: 4-CPA; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 4-CPA; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY SODPIMGUZLOIPE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034282 CH$LINK: ChemOnt CHEMONTID:0000417; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000534.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000534.txt index d9f8b00a794..6b4ef07d8ff 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000534.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000534.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000534 -RECORD_TITLE: 4-CPA; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 4-CPA; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY SODPIMGUZLOIPE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034282 CH$LINK: ChemOnt CHEMONTID:0000417; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000535.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000535.txt index 72c70a4572a..11c40674923 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000535.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000535.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000535 -RECORD_TITLE: Cumic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Cumic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY CKMXAIVXVKGGFM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6060210 CH$LINK: ChemOnt CHEMONTID:0001549; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000536.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000536.txt index e540cc0f078..52742ec37f2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000536.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000536.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000536 -RECORD_TITLE: Cumic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Cumic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY CKMXAIVXVKGGFM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6060210 CH$LINK: ChemOnt CHEMONTID:0001549; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000537.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000537.txt index 3568c60f2b4..c0cbef8bdef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000537.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000537.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000537 -RECORD_TITLE: Cumic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Cumic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY CKMXAIVXVKGGFM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6060210 CH$LINK: ChemOnt CHEMONTID:0001549; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000538.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000538.txt index 2ab390825fa..f2f2adc861f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000538.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000538.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000538 -RECORD_TITLE: Cumic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Cumic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY CKMXAIVXVKGGFM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6060210 CH$LINK: ChemOnt CHEMONTID:0001549; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000539.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000539.txt index 82ad19f6055..7df1a970eee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000539.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000539.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000539 -RECORD_TITLE: Cyclohexanecarboxylic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Cyclohexanecarboxylic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NZNMSOFKMUBTKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059180 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000540.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000540.txt index 430144865c5..32e70f91c67 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000540.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000540.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000540 -RECORD_TITLE: Cyclohexanecarboxylic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Cyclohexanecarboxylic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NZNMSOFKMUBTKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059180 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000541.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000541.txt index 05dfcccf94d..cd1c26b9679 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000541.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000541.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000541 -RECORD_TITLE: Cyclohexanecarboxylic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Cyclohexanecarboxylic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NZNMSOFKMUBTKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059180 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000542.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000542.txt index fdec660447b..895dd1de1d7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000542.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000542.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000542 -RECORD_TITLE: Cyclohexanecarboxylic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Cyclohexanecarboxylic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NZNMSOFKMUBTKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059180 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000543.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000543.txt index 51ec8f542a5..1b0ae027c5d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000543.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000543.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000543 -RECORD_TITLE: Cyclohexanecarboxylic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Cyclohexanecarboxylic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NZNMSOFKMUBTKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059180 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000544.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000544.txt index 83e9a409a33..41996182d3e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000544.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000544.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000544 -RECORD_TITLE: Cimetidine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Cimetidine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY AQIXAKUUQRKLND-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020329 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000545.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000545.txt index 775c47f7b91..4cd6be676ce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000545.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000545.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000545 -RECORD_TITLE: Cimetidine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Cimetidine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY AQIXAKUUQRKLND-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020329 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000546.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000546.txt index 3fda9295ff5..a392e4f039c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000546.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000546.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000546 -RECORD_TITLE: Cimetidine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Cimetidine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY AQIXAKUUQRKLND-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020329 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000547.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000547.txt index e5d9d0dcce6..11f97e70c64 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000547.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000547.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000547 -RECORD_TITLE: Cimetidine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Cimetidine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY AQIXAKUUQRKLND-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020329 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000548.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000548.txt index 8ebaaf4b5cc..5e3f7389f1b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000548.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000548.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000548 -RECORD_TITLE: Cimetidine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Cimetidine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY AQIXAKUUQRKLND-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020329 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000549.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000549.txt index b84120e6b2e..9e46e9f0f0d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000549.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000549.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000549 -RECORD_TITLE: 2-Deoxyribose 1-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2-Deoxyribose 1-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:5460448 CH$LINK: INCHIKEY KBDKAJNTYKVSEK-VPENINKCSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000550.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000550.txt index 09ef6255daa..342f699da55 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000550.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000550.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000550 -RECORD_TITLE: 2-Deoxyribose 1-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2-Deoxyribose 1-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:5460448 CH$LINK: INCHIKEY KBDKAJNTYKVSEK-VPENINKCSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000551.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000551.txt index c392861b7b2..60c2e4608f9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000551.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000551.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000551 -RECORD_TITLE: 2-Deoxyribose 1-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2-Deoxyribose 1-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:5460448 CH$LINK: INCHIKEY KBDKAJNTYKVSEK-VPENINKCSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000552.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000552.txt index 19f21955a33..8461a11c0dd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000552.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000552.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000552 -RECORD_TITLE: 2-Deoxyribose 1-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2-Deoxyribose 1-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:5460448 CH$LINK: INCHIKEY KBDKAJNTYKVSEK-VPENINKCSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000553.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000553.txt index b8e644bd485..693467f04d0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000553.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000553.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000553 -RECORD_TITLE: 2-Deoxyribose 1-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 2-Deoxyribose 1-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:5460448 CH$LINK: INCHIKEY KBDKAJNTYKVSEK-VPENINKCSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000554.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000554.txt index 832d5c40b11..f94847f0626 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000554.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000554.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000554 -RECORD_TITLE: Glycerone phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Glycerone phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GNGACRATGGDKBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6058768 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000555.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000555.txt index 7b4d1ae15ea..ad1e9ae1dcd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000555.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000555.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000555 -RECORD_TITLE: Glycerone phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Glycerone phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GNGACRATGGDKBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6058768 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000556.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000556.txt index be99e265ff0..9f6e189ac57 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000556.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000556.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000556 -RECORD_TITLE: Glycerone phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Glycerone phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GNGACRATGGDKBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6058768 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000557.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000557.txt index d9e1c0f3c99..d298b77f5dd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000557.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000557.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000557 -RECORD_TITLE: Glycerone phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Glycerone phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GNGACRATGGDKBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6058768 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000558.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000558.txt index 4c702a24a75..79fe9656bf5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000558.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000558.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000558 -RECORD_TITLE: Glycerone phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Glycerone phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GNGACRATGGDKBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6058768 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000559.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000559.txt index d854f578454..52c70ca5f20 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000559.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000559.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000559 -RECORD_TITLE: 2,3-Diphosphoglycerate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2,3-Diphosphoglycerate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:186004 CH$LINK: INCHIKEY XOHUEYCVLUUEJJ-UWTATZPHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000560.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000560.txt index 722d69c7c1e..aac9edb8af1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000560.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000560.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000560 -RECORD_TITLE: 2,3-Diphosphoglycerate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2,3-Diphosphoglycerate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:186004 CH$LINK: INCHIKEY XOHUEYCVLUUEJJ-UWTATZPHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000561.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000561.txt index 169808c63fe..3db5f91448e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000561.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000561.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000561 -RECORD_TITLE: 2,3-Diphosphoglycerate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2,3-Diphosphoglycerate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:186004 CH$LINK: INCHIKEY XOHUEYCVLUUEJJ-UWTATZPHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000562.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000562.txt index 26d7829c0f5..2eb18205b69 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000562.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000562.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000562 -RECORD_TITLE: 2,3-Diphosphoglycerate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2,3-Diphosphoglycerate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:186004 CH$LINK: INCHIKEY XOHUEYCVLUUEJJ-UWTATZPHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000563.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000563.txt index c3b9b9ac3a2..d230e951416 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000563.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000563.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000563 -RECORD_TITLE: 2,3-Diphosphoglycerate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 2,3-Diphosphoglycerate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:186004 CH$LINK: INCHIKEY XOHUEYCVLUUEJJ-UWTATZPHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000564.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000564.txt index 9bf0c001d68..a8d15915ccd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000564.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000564.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000564 -RECORD_TITLE: 2-Deoxyribose 5-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2-Deoxyribose 5-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439288 CH$LINK: INCHIKEY KKZFLSZAWCYPOC-PYHARJCCSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000565.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000565.txt index 32dae864e1c..aa737fd9c37 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000565.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000565.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000565 -RECORD_TITLE: 2-Deoxyribose 5-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2-Deoxyribose 5-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439288 CH$LINK: INCHIKEY KKZFLSZAWCYPOC-PYHARJCCSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000566.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000566.txt index 58f065a036a..398c442b974 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000566.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000566.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000566 -RECORD_TITLE: 2-Deoxyribose 5-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2-Deoxyribose 5-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439288 CH$LINK: INCHIKEY KKZFLSZAWCYPOC-PYHARJCCSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000567.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000567.txt index fa2d0e2e6ca..0b616b43975 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000567.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000567.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000567 -RECORD_TITLE: 2-Deoxyribose 5-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2-Deoxyribose 5-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439288 CH$LINK: INCHIKEY KKZFLSZAWCYPOC-PYHARJCCSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000568.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000568.txt index 3c2e4912437..cba3b0210e7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000568.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000568.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000568 -RECORD_TITLE: 2-Deoxyribose 5-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 2-Deoxyribose 5-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439288 CH$LINK: INCHIKEY KKZFLSZAWCYPOC-PYHARJCCSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000569.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000569.txt index b404dc7f693..663d12ccc93 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000569.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000569.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000569 -RECORD_TITLE: Dichloroacetic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Dichloroacetic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JXTHNDFMNIQAHM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020428 CH$LINK: ChemOnt CHEMONTID:0001548; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Alpha-halocarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000570.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000570.txt index ca1eda92469..645e6d7c19a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000570.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000570.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000570 -RECORD_TITLE: Dichloroacetic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Dichloroacetic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JXTHNDFMNIQAHM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020428 CH$LINK: ChemOnt CHEMONTID:0001548; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Alpha-halocarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000571.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000571.txt index 3f68296d9e8..8ae6c954082 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000571.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000571.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000571 -RECORD_TITLE: Dichloroacetic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Dichloroacetic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JXTHNDFMNIQAHM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020428 CH$LINK: ChemOnt CHEMONTID:0001548; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Alpha-halocarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000572.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000572.txt index 06836a1c06f..a2d409d19eb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000572.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000572.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000572 -RECORD_TITLE: Dichloroacetic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Dichloroacetic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JXTHNDFMNIQAHM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020428 CH$LINK: ChemOnt CHEMONTID:0001548; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Alpha-halocarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000573.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000573.txt index 0345a67b196..e0e337c6927 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000573.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000573.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000573 -RECORD_TITLE: Dichloroacetic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Dichloroacetic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JXTHNDFMNIQAHM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020428 CH$LINK: ChemOnt CHEMONTID:0001548; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Alpha-halocarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000574.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000574.txt index 82ff40c6cc5..0b07b978bd4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000574.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000574.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000574 -RECORD_TITLE: Gentisic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Gentisic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY WXTMDXOMEHJXQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4060078 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000575.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000575.txt index 7ea853d1878..96ed1f88fc6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000575.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000575.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000575 -RECORD_TITLE: Gentisic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Gentisic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY WXTMDXOMEHJXQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4060078 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000576.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000576.txt index 60bb142bf72..b703f211fda 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000576.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000576.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000576 -RECORD_TITLE: Gentisic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Gentisic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY WXTMDXOMEHJXQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4060078 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000577.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000577.txt index 791489cacb1..4de4a797c0a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000577.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000577.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000577 -RECORD_TITLE: Gentisic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Gentisic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY WXTMDXOMEHJXQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4060078 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000578.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000578.txt index 7817e6ae0dd..e7b42056a19 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000578.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000578.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000578 -RECORD_TITLE: Gentisic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Gentisic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY WXTMDXOMEHJXQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4060078 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000579.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000579.txt index 41ae3a8465d..ffe5ed42343 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000579.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000579.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000579 -RECORD_TITLE: Dopamine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Dopamine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000580.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000580.txt index f9670d057a3..ce6ac8a72db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000580.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000580.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000580 -RECORD_TITLE: Dopamine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Dopamine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000581.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000581.txt index de15b105461..1bc9bef2987 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000581.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000581.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000581 -RECORD_TITLE: Dopamine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Dopamine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000582.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000582.txt index 85dea04c869..b75e6c4abe6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000582.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000582.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000582 -RECORD_TITLE: Dopamine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Dopamine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000583.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000583.txt index 9799767371d..4c62b1069e9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000583.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000583.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000583 -RECORD_TITLE: Dopamine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Dopamine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000584.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000584.txt index 0571213ed9c..d8bd74cfd86 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000584.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000584.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000584 -RECORD_TITLE: Dihydrocaffeic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Dihydrocaffeic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DZAUWHJDUNRCTF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40221919 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000585.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000585.txt index 37f2594d752..da260f98fba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000585.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000585.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000585 -RECORD_TITLE: Dihydrocaffeic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Dihydrocaffeic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DZAUWHJDUNRCTF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40221919 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000586.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000586.txt index e5a512cf683..ffda28ba462 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000586.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000586.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000586 -RECORD_TITLE: Dihydrocaffeic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Dihydrocaffeic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DZAUWHJDUNRCTF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40221919 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000587.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000587.txt index f6e47098b0c..12e2cb85e8e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000587.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000587.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000587 -RECORD_TITLE: Dihydrocaffeic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Dihydrocaffeic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DZAUWHJDUNRCTF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40221919 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000588.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000588.txt index 5e46336f576..667e46bf90b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000588.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000588.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000588 -RECORD_TITLE: Dihydrocaffeic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Dihydrocaffeic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DZAUWHJDUNRCTF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40221919 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000589.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000589.txt index f16be56d844..8fec9a2909d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000589.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000589.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000589 -RECORD_TITLE: 2,6-Dichloro-4-nitroaniline; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2,6-Dichloro-4-nitroaniline; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY BIXZHMJUSMUDOQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020426 CH$LINK: ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000590.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000590.txt index f5c2009559a..26e28356ce7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000590.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000590.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000590 -RECORD_TITLE: 2,6-Dichloro-4-nitroaniline; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2,6-Dichloro-4-nitroaniline; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY BIXZHMJUSMUDOQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020426 CH$LINK: ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000591.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000591.txt index 4b7bcd2f360..7408f4752b3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000591.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000591.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000591 -RECORD_TITLE: 2,6-Dichloro-4-nitroaniline; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2,6-Dichloro-4-nitroaniline; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY BIXZHMJUSMUDOQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020426 CH$LINK: ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000592.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000592.txt index f4b6c4dd226..78f8fd9a3d2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000592.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000592.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000592 -RECORD_TITLE: 2,6-Dichloro-4-nitroaniline; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2,6-Dichloro-4-nitroaniline; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY BIXZHMJUSMUDOQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020426 CH$LINK: ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000593.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000593.txt index a8442b04797..69b7a8d22d0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000593.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000593.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000593 -RECORD_TITLE: 2,6-Dichloro-4-nitroaniline; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 2,6-Dichloro-4-nitroaniline; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY BIXZHMJUSMUDOQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020426 CH$LINK: ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000594.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000594.txt index 0fb3775f817..60201a74000 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000594.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000594.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000594 -RECORD_TITLE: Dodecanedioic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Dodecanedioic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY TVIDDXQYHWJXFK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3027297 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000595.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000595.txt index a14cea91eaf..ef1eac04602 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000595.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000595.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000595 -RECORD_TITLE: Dodecanedioic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Dodecanedioic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY TVIDDXQYHWJXFK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3027297 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000596.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000596.txt index 4acf7e51955..a9b9f26a994 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000596.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000596.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000596 -RECORD_TITLE: Dodecanedioic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Dodecanedioic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY TVIDDXQYHWJXFK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3027297 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000597.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000597.txt index 6bd10f4edd4..64a1fbf23c3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000597.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000597.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000597 -RECORD_TITLE: Dodecanedioic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Dodecanedioic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY TVIDDXQYHWJXFK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3027297 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000598.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000598.txt index a950e550653..85146b33549 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000598.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000598.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000598 -RECORD_TITLE: Dodecanedioic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Dodecanedioic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY TVIDDXQYHWJXFK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3027297 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000599.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000599.txt index 5cf259731fb..855394714c4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000599.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000599.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000599 -RECORD_TITLE: 3,5-Dinitrosalicylic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 3,5-Dinitrosalicylic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY LWFUFLREGJMOIZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9060576 CH$LINK: ChemOnt CHEMONTID:0000141; Organic compounds; Benzenoids; Phenols; Nitrophenols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000600.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000600.txt index f48e52b2f4e..d123357b4a9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000600.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000600.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000600 -RECORD_TITLE: 3,5-Dinitrosalicylic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 3,5-Dinitrosalicylic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY LWFUFLREGJMOIZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9060576 CH$LINK: ChemOnt CHEMONTID:0000141; Organic compounds; Benzenoids; Phenols; Nitrophenols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000601.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000601.txt index cb8199e66ca..c36d611143d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000601.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000601 -RECORD_TITLE: 3,5-Dinitrosalicylic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 3,5-Dinitrosalicylic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY LWFUFLREGJMOIZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9060576 CH$LINK: ChemOnt CHEMONTID:0000141; Organic compounds; Benzenoids; Phenols; Nitrophenols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000602.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000602.txt index 2d029190acb..e5ea1cd81a2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000602.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000602 -RECORD_TITLE: 3,5-Dinitrosalicylic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 3,5-Dinitrosalicylic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY LWFUFLREGJMOIZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9060576 CH$LINK: ChemOnt CHEMONTID:0000141; Organic compounds; Benzenoids; Phenols; Nitrophenols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000603.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000603.txt index efe0d00b3f4..1791d1e0247 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000603.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000603 -RECORD_TITLE: 3,5-Dinitrosalicylic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 3,5-Dinitrosalicylic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY LWFUFLREGJMOIZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9060576 CH$LINK: ChemOnt CHEMONTID:0000141; Organic compounds; Benzenoids; Phenols; Nitrophenols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000604.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000604.txt index 46c0b5c9a9d..a975ebed8c4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000604.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000604 -RECORD_TITLE: Diazoxide; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Diazoxide; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GDLBFKVLRPITMI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7022914 CH$LINK: ChemOnt CHEMONTID:0000308; Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000605.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000605.txt index de205eb1ce5..dae8a2116a1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000605.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000605 -RECORD_TITLE: Diazoxide; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Diazoxide; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GDLBFKVLRPITMI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7022914 CH$LINK: ChemOnt CHEMONTID:0000308; Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000606.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000606.txt index ea1f8ebca72..33579f19b64 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000606.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000606.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000606 -RECORD_TITLE: Diazoxide; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Diazoxide; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GDLBFKVLRPITMI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7022914 CH$LINK: ChemOnt CHEMONTID:0000308; Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000607.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000607.txt index 9d6ab84ec85..5f2cb9cbe81 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000607.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000607 -RECORD_TITLE: Diazoxide; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Diazoxide; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GDLBFKVLRPITMI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7022914 CH$LINK: ChemOnt CHEMONTID:0000308; Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000608.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000608.txt index 26c69c76c19..b47aa8e1214 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000608.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000608 -RECORD_TITLE: Diazoxide; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Diazoxide; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GDLBFKVLRPITMI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7022914 CH$LINK: ChemOnt CHEMONTID:0000308; Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000609.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000609.txt index 464cb01eb98..cd88164d264 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000609.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000609.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000609 -RECORD_TITLE: 2'-Deoxycytidine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2'-Deoxycytidine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-SHYZEUOFSA-N CH$LINK: COMPTOX DTXSID70883620 CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000610.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000610.txt index 7bde88f6105..c4c27d8071c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000610.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000610.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000610 -RECORD_TITLE: 2'-Deoxycytidine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2'-Deoxycytidine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-SHYZEUOFSA-N CH$LINK: COMPTOX DTXSID70883620 CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000611.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000611.txt index 6a0adbd0ca5..887efc8fa1b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000611.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000611.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000611 -RECORD_TITLE: 2'-Deoxycytidine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2'-Deoxycytidine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-SHYZEUOFSA-N CH$LINK: COMPTOX DTXSID70883620 CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000612.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000612.txt index 2e18f44d453..0e48dec1c41 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000612.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000612.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000612 -RECORD_TITLE: 2'-Deoxycytidine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2'-Deoxycytidine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-SHYZEUOFSA-N CH$LINK: COMPTOX DTXSID70883620 CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000613.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000613.txt index a032dfcdcf8..efe1d2b0022 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000613.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000613.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000613 -RECORD_TITLE: 2'-Deoxycytidine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 2'-Deoxycytidine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-SHYZEUOFSA-N CH$LINK: COMPTOX DTXSID70883620 CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000614.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000614.txt index ba6e1ff3ef0..b5fa4639ef3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000614.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000614.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000614 -RECORD_TITLE: 3,5-Diiodo-tyrosine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 3,5-Diiodo-tyrosine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY NYPYHUZRZVSYKL-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID0048680 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000615.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000615.txt index 3e1efad1d1c..5195ee44c73 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000615.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000615.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000615 -RECORD_TITLE: 3,5-Diiodo-tyrosine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 3,5-Diiodo-tyrosine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY NYPYHUZRZVSYKL-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID0048680 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000616.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000616.txt index cfb727447b1..95e1350287a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000616.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000616.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000616 -RECORD_TITLE: 3,5-Diiodo-tyrosine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 3,5-Diiodo-tyrosine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY NYPYHUZRZVSYKL-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID0048680 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000617.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000617.txt index 79c6b96a994..1b00542d80c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000617.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000617.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000617 -RECORD_TITLE: 3,5-Diiodo-tyrosine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 3,5-Diiodo-tyrosine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY NYPYHUZRZVSYKL-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID0048680 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000618.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000618.txt index 51e98b43140..6e086b1d748 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000618.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000618.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000618 -RECORD_TITLE: 3,5-Diiodo-tyrosine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 3,5-Diiodo-tyrosine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY NYPYHUZRZVSYKL-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID0048680 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000619.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000619.txt index e6e5339d15d..b6982c37e67 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000619.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000619.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000619 -RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YKBGVTZYEHREMT-KVQBGUIXSA-N CH$LINK: COMPTOX DTXSID30883626 CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000620.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000620.txt index 6410ae10e92..d76b867038f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000620.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000620.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000620 -RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YKBGVTZYEHREMT-KVQBGUIXSA-N CH$LINK: COMPTOX DTXSID30883626 CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000621.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000621.txt index aad4c65d47d..fe2f0ddfdd0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000621.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000621.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000621 -RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YKBGVTZYEHREMT-KVQBGUIXSA-N CH$LINK: COMPTOX DTXSID30883626 CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000622.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000622.txt index 5ff38f67f46..1b9a812c65d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000622.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000622.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000622 -RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YKBGVTZYEHREMT-KVQBGUIXSA-N CH$LINK: COMPTOX DTXSID30883626 CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000623.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000623.txt index 07ce05a519c..7d0e601d41a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000623.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000623.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000623 -RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YKBGVTZYEHREMT-KVQBGUIXSA-N CH$LINK: COMPTOX DTXSID30883626 CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000624.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000624.txt index 803d77a0664..5a48812e9d5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000624.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000624.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000624 -RECORD_TITLE: Diflunisal; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Diflunisal; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HUPFGZXOMWLGNK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022932 CH$LINK: ChemOnt CHEMONTID:0000041; Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000625.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000625.txt index 0b14a96c9ff..997abbab7e6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000625.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000625.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000625 -RECORD_TITLE: Diflunisal; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Diflunisal; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HUPFGZXOMWLGNK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022932 CH$LINK: ChemOnt CHEMONTID:0000041; Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000626.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000626.txt index 985d63dfc08..1f41134f4b3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000626.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000626.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000626 -RECORD_TITLE: Diflunisal; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Diflunisal; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HUPFGZXOMWLGNK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022932 CH$LINK: ChemOnt CHEMONTID:0000041; Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000627.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000627.txt index db09a5937bb..f1ffe373547 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000627.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000627.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000627 -RECORD_TITLE: Diflunisal; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Diflunisal; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HUPFGZXOMWLGNK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022932 CH$LINK: ChemOnt CHEMONTID:0000041; Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000628.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000628.txt index 8542f9df724..64d4e7b91dc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000628.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000628.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000628 -RECORD_TITLE: Diflunisal; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Diflunisal; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HUPFGZXOMWLGNK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022932 CH$LINK: ChemOnt CHEMONTID:0000041; Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000629.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000629.txt index 1a29dddccd0..5d0e452cb86 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000629.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000629.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000629 -RECORD_TITLE: Decanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Decanoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY GHVNFZFCNZKVNT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021554 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000630.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000630.txt index 9b2933018de..a47f7251b9f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000630.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000630.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000630 -RECORD_TITLE: Decanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Decanoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY GHVNFZFCNZKVNT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021554 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000631.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000631.txt index 6b46a22749a..9ac0f79e561 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000631.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000631.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000631 -RECORD_TITLE: Decanoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Decanoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY GHVNFZFCNZKVNT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021554 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000632.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000632.txt index 130ad1c8e3d..dc1bae19bdb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000632.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000632.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000632 -RECORD_TITLE: Decanoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Decanoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY GHVNFZFCNZKVNT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021554 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000633.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000633.txt index 2153311ec16..b48aeb119cd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000633.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000633.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000633 -RECORD_TITLE: Decanoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Decanoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY GHVNFZFCNZKVNT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021554 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000634.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000634.txt index 5849b1f3037..5aa3ebe2523 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000634.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000634.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000634 -RECORD_TITLE: Doxorubicin; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Doxorubicin; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:31703 CH$LINK: INCHIKEY AOJJSUZBOXZQNB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002106; Organic compounds; Phenylpropanoids and polyketides; Anthracyclines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000635.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000635.txt index ab2c70a936e..06863606009 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000635.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000635.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000635 -RECORD_TITLE: Doxorubicin; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Doxorubicin; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:31703 CH$LINK: INCHIKEY AOJJSUZBOXZQNB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002106; Organic compounds; Phenylpropanoids and polyketides; Anthracyclines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000636.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000636.txt index 258235a4fad..70e721ddb3f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000636.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000636.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000636 -RECORD_TITLE: Doxorubicin; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Doxorubicin; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:31703 CH$LINK: INCHIKEY AOJJSUZBOXZQNB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002106; Organic compounds; Phenylpropanoids and polyketides; Anthracyclines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000637.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000637.txt index 357433e8ea8..ba030de2ad9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000637.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000637.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000637 -RECORD_TITLE: Doxorubicin; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Doxorubicin; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:31703 CH$LINK: INCHIKEY AOJJSUZBOXZQNB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002106; Organic compounds; Phenylpropanoids and polyketides; Anthracyclines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000638.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000638.txt index 7e93514ad88..e314eaf115c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000638.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000638.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000638 -RECORD_TITLE: Doxorubicin; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Doxorubicin; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:31703 CH$LINK: INCHIKEY AOJJSUZBOXZQNB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002106; Organic compounds; Phenylpropanoids and polyketides; Anthracyclines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000639.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000639.txt index b04a618d7a8..8dfe7873814 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000639.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000639.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000639 -RECORD_TITLE: DL-3,4-Dihydroxymandelic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: DL-3,4-Dihydroxymandelic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:85782 CH$LINK: INCHIKEY RGHMISIYKIHAJW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000640.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000640.txt index 4cf40435d75..b5e0443a545 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000640.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000640.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000640 -RECORD_TITLE: DL-3,4-Dihydroxymandelic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: DL-3,4-Dihydroxymandelic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:85782 CH$LINK: INCHIKEY RGHMISIYKIHAJW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000641.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000641.txt index e666193e860..0a1e3855092 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000641.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000641.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000641 -RECORD_TITLE: DL-3,4-Dihydroxymandelic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: DL-3,4-Dihydroxymandelic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:85782 CH$LINK: INCHIKEY RGHMISIYKIHAJW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000642.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000642.txt index c6401e93b86..12d47592116 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000642.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000642.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000642 -RECORD_TITLE: DL-3,4-Dihydroxymandelic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: DL-3,4-Dihydroxymandelic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:85782 CH$LINK: INCHIKEY RGHMISIYKIHAJW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000643.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000643.txt index 1b8f9825859..1dbffb2a22c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000643.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000643.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000643 -RECORD_TITLE: DL-3,4-Dihydroxymandelic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: DL-3,4-Dihydroxymandelic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:85782 CH$LINK: INCHIKEY RGHMISIYKIHAJW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000644.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000644.txt index a5d0539b63d..6a2cec6f769 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000644.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000644.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000644 -RECORD_TITLE: 2,4-Dinitrophenol; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2,4-Dinitrophenol; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UFBJCMHMOXMLKC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020523 CH$LINK: ChemOnt CHEMONTID:0000141; Organic compounds; Benzenoids; Phenols; Nitrophenols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000645.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000645.txt index 8dbdf647e2e..c535f480cbb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000645.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000645.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000645 -RECORD_TITLE: 2,4-Dinitrophenol; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2,4-Dinitrophenol; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UFBJCMHMOXMLKC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020523 CH$LINK: ChemOnt CHEMONTID:0000141; Organic compounds; Benzenoids; Phenols; Nitrophenols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000646.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000646.txt index 92f94f8facc..4e198f9d32d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000646.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000646.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000646 -RECORD_TITLE: 2,4-Dinitrophenol; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2,4-Dinitrophenol; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UFBJCMHMOXMLKC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020523 CH$LINK: ChemOnt CHEMONTID:0000141; Organic compounds; Benzenoids; Phenols; Nitrophenols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000647.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000647.txt index 4a577d96216..e247bb16533 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000647.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000647.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000647 -RECORD_TITLE: 2,4-Dinitrophenol; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2,4-Dinitrophenol; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UFBJCMHMOXMLKC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020523 CH$LINK: ChemOnt CHEMONTID:0000141; Organic compounds; Benzenoids; Phenols; Nitrophenols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000648.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000648.txt index 66f6eaed600..03d7ba50a8e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000648.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000648.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000648 -RECORD_TITLE: 2,4-Dinitrophenol; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 2,4-Dinitrophenol; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UFBJCMHMOXMLKC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020523 CH$LINK: ChemOnt CHEMONTID:0000141; Organic compounds; Benzenoids; Phenols; Nitrophenols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000649.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000649.txt index 991d9db445e..0e2a67a3389 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000649.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000649.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000649 -RECORD_TITLE: Digalacturonic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Digalacturonic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IGSYEZFZPOZFNC-LKIWRGPLSA-N CH$LINK: COMPTOX DTXSID10974440 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000650.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000650.txt index aa15db27fc3..5ccd0047e5c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000650.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000650.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000650 -RECORD_TITLE: Digalacturonic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Digalacturonic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IGSYEZFZPOZFNC-LKIWRGPLSA-N CH$LINK: COMPTOX DTXSID10974440 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000651.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000651.txt index 403461dfa8e..aefec5cec74 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000651.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000651.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000651 -RECORD_TITLE: Digalacturonic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Digalacturonic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IGSYEZFZPOZFNC-LKIWRGPLSA-N CH$LINK: COMPTOX DTXSID10974440 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000652.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000652.txt index c465d66fde3..d13cfc77c4e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000652.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000652.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000652 -RECORD_TITLE: Digalacturonic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Digalacturonic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IGSYEZFZPOZFNC-LKIWRGPLSA-N CH$LINK: COMPTOX DTXSID10974440 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000653.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000653.txt index b411c73d3c1..ffb82b4651f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000653.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000653.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000653 -RECORD_TITLE: Digalacturonic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Digalacturonic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IGSYEZFZPOZFNC-LKIWRGPLSA-N CH$LINK: COMPTOX DTXSID10974440 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000654.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000654.txt index f96b27fe655..6b3316ccb3a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000654.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000654.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000654 -RECORD_TITLE: 2-Deoxyglucose 6-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2-Deoxyglucose 6-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440992 CH$LINK: INCHIKEY UQJFZAAGZAYVKZ-CERMHHMHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000655.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000655.txt index 9a2c9ddd2e3..5b9c92983ec 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000655.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000655.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000655 -RECORD_TITLE: 2-Deoxyglucose 6-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2-Deoxyglucose 6-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440992 CH$LINK: INCHIKEY UQJFZAAGZAYVKZ-CERMHHMHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000656.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000656.txt index a515a855e8a..9d8e381f8d0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000656.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000656.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000656 -RECORD_TITLE: 2-Deoxyglucose 6-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2-Deoxyglucose 6-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440992 CH$LINK: INCHIKEY UQJFZAAGZAYVKZ-CERMHHMHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000657.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000657.txt index 0da7de657b5..128972c2ff9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000657.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000657.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000657 -RECORD_TITLE: 2-Deoxyglucose 6-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2-Deoxyglucose 6-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440992 CH$LINK: INCHIKEY UQJFZAAGZAYVKZ-CERMHHMHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000658.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000658.txt index c23d2a1cb8d..4ccd3942ef3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000658.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000658.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000658 -RECORD_TITLE: 2-Deoxyglucose 6-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 2-Deoxyglucose 6-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440992 CH$LINK: INCHIKEY UQJFZAAGZAYVKZ-CERMHHMHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000659.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000659.txt index b63eb2d8c09..a77fbaaa775 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000659.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000659.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000659 -RECORD_TITLE: O,O-Diethyl thiophosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: O,O-Diethyl thiophosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY PKUWKAXTAVNIJR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9052844 CH$LINK: ChemOnt CHEMONTID:0001572; Organic compounds; Organic acids and derivatives; Organic thiophosphoric acids and derivatives; Thiophosphoric acid esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000660.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000660.txt index 5bb7dbc9a15..b995e6a9a8c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000660.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000660.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000660 -RECORD_TITLE: O,O-Diethyl thiophosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: O,O-Diethyl thiophosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY PKUWKAXTAVNIJR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9052844 CH$LINK: ChemOnt CHEMONTID:0001572; Organic compounds; Organic acids and derivatives; Organic thiophosphoric acids and derivatives; Thiophosphoric acid esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000661.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000661.txt index 71ae92cf073..2ffe3c6f077 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000661.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000661.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000661 -RECORD_TITLE: O,O-Diethyl thiophosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: O,O-Diethyl thiophosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY PKUWKAXTAVNIJR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9052844 CH$LINK: ChemOnt CHEMONTID:0001572; Organic compounds; Organic acids and derivatives; Organic thiophosphoric acids and derivatives; Thiophosphoric acid esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000662.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000662.txt index 7ce8a04aa49..f1d00926435 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000662.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000662.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000662 -RECORD_TITLE: O,O-Diethyl thiophosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: O,O-Diethyl thiophosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY PKUWKAXTAVNIJR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9052844 CH$LINK: ChemOnt CHEMONTID:0001572; Organic compounds; Organic acids and derivatives; Organic thiophosphoric acids and derivatives; Thiophosphoric acid esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000663.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000663.txt index a343203b377..203edb48069 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000663.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000663.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000663 -RECORD_TITLE: O,O-Diethyl thiophosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: O,O-Diethyl thiophosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY PKUWKAXTAVNIJR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9052844 CH$LINK: ChemOnt CHEMONTID:0001572; Organic compounds; Organic acids and derivatives; Organic thiophosphoric acids and derivatives; Thiophosphoric acid esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000664.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000664.txt index b4aded9c3c7..9c24cb9c698 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000664.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000664.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000664 -RECORD_TITLE: Diclofenac; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Diclofenac; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DCOPUUMXTXDBNB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022923 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000665.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000665.txt index 5064e148622..e49d45ca6fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000665.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000665.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000665 -RECORD_TITLE: Diclofenac; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Diclofenac; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DCOPUUMXTXDBNB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022923 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000666.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000666.txt index 0dc2e24b20f..8ba60724051 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000666.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000666.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000666 -RECORD_TITLE: Diclofenac; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Diclofenac; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DCOPUUMXTXDBNB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022923 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000667.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000667.txt index f3267f3641f..9ad21502ae1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000667.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000667.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000667 -RECORD_TITLE: Diclofenac; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Diclofenac; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DCOPUUMXTXDBNB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022923 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000668.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000668.txt index 4f9f859dcb8..a11c84e725b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000668.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000668.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000668 -RECORD_TITLE: Diclofenac; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Diclofenac; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DCOPUUMXTXDBNB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022923 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000669.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000669.txt index bd0a8e708fe..aa9898a7e57 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000669.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000669.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000669 -RECORD_TITLE: Na,Na-Dimethylhistidine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Na,Na-Dimethylhistidine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IMOBSLOLPCWZKQ-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID60947821 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000670.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000670.txt index 0460e950544..891f8817d8d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000670.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000670.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000670 -RECORD_TITLE: Na,Na-Dimethylhistidine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Na,Na-Dimethylhistidine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IMOBSLOLPCWZKQ-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID60947821 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000671.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000671.txt index 72157e7bb0a..684db8f1d2b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000671.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000671.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000671 -RECORD_TITLE: Na,Na-Dimethylhistidine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Na,Na-Dimethylhistidine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IMOBSLOLPCWZKQ-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID60947821 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000672.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000672.txt index 30f614711b4..5fe497f31ce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000672.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000672.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000672 -RECORD_TITLE: Na,Na-Dimethylhistidine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Na,Na-Dimethylhistidine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IMOBSLOLPCWZKQ-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID60947821 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000673.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000673.txt index c3f66f6161e..3dcf1685dbb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000673.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000673.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000673 -RECORD_TITLE: Na,Na-Dimethylhistidine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Na,Na-Dimethylhistidine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IMOBSLOLPCWZKQ-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID60947821 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000674.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000674.txt index d4fe642b94f..0359e2aaa0d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000674.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000674.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000674 -RECORD_TITLE: 2,4-Dichlorobenzoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2,4-Dichlorobenzoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY ATCRIUVQKHMXSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0024977 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000675.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000675.txt index eb740f6ed0c..3e1da81335a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000675.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000675.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000675 -RECORD_TITLE: 2,4-Dichlorobenzoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2,4-Dichlorobenzoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY ATCRIUVQKHMXSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0024977 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000676.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000676.txt index 5adc65a81f6..2b39b5fc1e5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000676.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000676.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000676 -RECORD_TITLE: 2,4-Dichlorobenzoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2,4-Dichlorobenzoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY ATCRIUVQKHMXSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0024977 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000677.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000677.txt index f9a9ba316ed..1f3e9017b2e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000677.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000677.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000677 -RECORD_TITLE: 2,4-Dichlorobenzoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2,4-Dichlorobenzoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY ATCRIUVQKHMXSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0024977 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000678.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000678.txt index 5e87a2a2b98..dbc23d23cae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000678.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000678.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000678 -RECORD_TITLE: 2,4-Dichlorobenzoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 2,4-Dichlorobenzoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY ATCRIUVQKHMXSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0024977 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000679.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000679.txt index 54187002d77..4750f103568 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000679.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000679.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000679 -RECORD_TITLE: Diethyl phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Diethyl phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UCQFCFPECQILOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1044699 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000680.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000680.txt index 8aec3280f5a..625fd78e1f2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000680.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000680.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000680 -RECORD_TITLE: Diethyl phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Diethyl phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UCQFCFPECQILOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1044699 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000681.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000681.txt index 4187f9bc558..3e79961c5b1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000681.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000681.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000681 -RECORD_TITLE: Diethyl phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Diethyl phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UCQFCFPECQILOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1044699 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000682.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000682.txt index b88c3ddb4ef..77c05b495bf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000682.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000682.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000682 -RECORD_TITLE: Diethyl phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Diethyl phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UCQFCFPECQILOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1044699 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000683.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000683.txt index 4124802b3a5..c0c996e9d16 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000683.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000683.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000683 -RECORD_TITLE: Diethyl phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Diethyl phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UCQFCFPECQILOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1044699 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000684.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000684.txt index a61bcfd73c2..b0c41ea788c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000684.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000684.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000684 -RECORD_TITLE: Dichloroacetic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Dichloroacetic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JXTHNDFMNIQAHM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020428 CH$LINK: ChemOnt CHEMONTID:0001548; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Alpha-halocarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000685.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000685.txt index 9e0ef99942e..3e5c218a113 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000685.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000685.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000685 -RECORD_TITLE: Dichloroacetic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Dichloroacetic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JXTHNDFMNIQAHM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020428 CH$LINK: ChemOnt CHEMONTID:0001548; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Alpha-halocarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000686.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000686.txt index 301223cb710..0b002af04b8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000686.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000686.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000686 -RECORD_TITLE: Dichloroacetic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Dichloroacetic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JXTHNDFMNIQAHM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020428 CH$LINK: ChemOnt CHEMONTID:0001548; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Alpha-halocarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000687.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000687.txt index 63a5c57c874..08df1a12269 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000687.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000687.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000687 -RECORD_TITLE: Dichloroacetic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Dichloroacetic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JXTHNDFMNIQAHM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020428 CH$LINK: ChemOnt CHEMONTID:0001548; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Alpha-halocarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000688.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000688.txt index bdaed7f4b1c..49778814942 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000688.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000688.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000688 -RECORD_TITLE: Dichloroacetic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Dichloroacetic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JXTHNDFMNIQAHM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020428 CH$LINK: ChemOnt CHEMONTID:0001548; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Alpha-halocarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000689.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000689.txt index 4df5169dfd6..f5e9e5cc53f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000689.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000689.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000689 -RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KSPIHGBHKVISFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059690 CH$LINK: ChemOnt CHEMONTID:0000113; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylhydrazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000690.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000690.txt index f20e714427e..8dca058121d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000690.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000690.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000690 -RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KSPIHGBHKVISFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059690 CH$LINK: ChemOnt CHEMONTID:0000113; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylhydrazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000691.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000691.txt index 76335ffe38f..59aaa4d909a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000691.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000691.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000691 -RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KSPIHGBHKVISFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059690 CH$LINK: ChemOnt CHEMONTID:0000113; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylhydrazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000692.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000692.txt index 0f23387b7dd..539288f3bd2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000692.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000692.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000692 -RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KSPIHGBHKVISFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059690 CH$LINK: ChemOnt CHEMONTID:0000113; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylhydrazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000693.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000693.txt index 514ec5fa01b..1d7d621b45c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000693.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000693.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000693 -RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KSPIHGBHKVISFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059690 CH$LINK: ChemOnt CHEMONTID:0000113; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylhydrazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000694.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000694.txt index 8be2a5023fd..39c0224b958 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000694.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000694.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000694 -RECORD_TITLE: Daminozide; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Daminozide; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NOQGZXFMHARMLW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020370 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000695.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000695.txt index 31c8eb564ab..6460cf04291 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000695.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000695.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000695 -RECORD_TITLE: Daminozide; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Daminozide; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NOQGZXFMHARMLW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020370 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000696.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000696.txt index 82f00cd25f0..bf5ee05c844 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000696.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000696.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000696 -RECORD_TITLE: Daminozide; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Daminozide; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NOQGZXFMHARMLW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020370 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000697.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000697.txt index f24f3270c48..6675a8f70cf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000697.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000697.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000697 -RECORD_TITLE: Daminozide; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Daminozide; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NOQGZXFMHARMLW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020370 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000698.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000698.txt index 17de4a19622..833b70bc9bd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000698.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000698.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000698 -RECORD_TITLE: Daminozide; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Daminozide; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NOQGZXFMHARMLW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020370 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000699.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000699.txt index 674f50bcd80..58a83abedd8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000699.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000699.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000699 -RECORD_TITLE: N-Ethylglutamine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: N-Ethylglutamine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DATAGRPVKZEWHA-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80184817 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000700.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000700.txt index 76816cc01f4..59ef691c087 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000700.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000700.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000700 -RECORD_TITLE: N-Ethylglutamine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: N-Ethylglutamine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DATAGRPVKZEWHA-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80184817 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000701.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000701.txt index ea42c521b3c..fa62c076a41 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000701.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000701 -RECORD_TITLE: N-Ethylglutamine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: N-Ethylglutamine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DATAGRPVKZEWHA-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80184817 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000702.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000702.txt index 217a38c41ef..678e74e62ce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000702.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000702 -RECORD_TITLE: N-Ethylglutamine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: N-Ethylglutamine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DATAGRPVKZEWHA-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80184817 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000703.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000703.txt index 3df46369b17..965370450c8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000703.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000703 -RECORD_TITLE: N-Ethylglutamine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: N-Ethylglutamine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DATAGRPVKZEWHA-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80184817 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000704.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000704.txt index 982dd69fb04..879a14b4df7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000704.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000704 -RECORD_TITLE: O-Phosphoethanolamine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: O-Phosphoethanolamine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SUHOOTKUPISOBE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061453 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000705.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000705.txt index 2aedbdf7f17..c44bc74ffe2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000705.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000705 -RECORD_TITLE: O-Phosphoethanolamine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: O-Phosphoethanolamine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SUHOOTKUPISOBE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061453 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000706.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000706.txt index 617ac778df2..47ffa219cad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000706.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000706.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000706 -RECORD_TITLE: O-Phosphoethanolamine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: O-Phosphoethanolamine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SUHOOTKUPISOBE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061453 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000707.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000707.txt index 9ecb60548ba..84dbf541fc7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000707.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000707 -RECORD_TITLE: O-Phosphoethanolamine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: O-Phosphoethanolamine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SUHOOTKUPISOBE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061453 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000708.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000708.txt index 7ebf8da9a48..5d6cd3ae9ae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000708.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000708 -RECORD_TITLE: O-Phosphoethanolamine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: O-Phosphoethanolamine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SUHOOTKUPISOBE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061453 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000709.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000709.txt index 2f8692ccd61..4bcc57f5c50 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000709.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000709.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000709 -RECORD_TITLE: Etidronic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Etidronic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY DBVJJBKOTRCVKF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023028 CH$LINK: ChemOnt CHEMONTID:0000327; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000710.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000710.txt index d8485b7888d..74c5140b59e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000710.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000710.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000710 -RECORD_TITLE: Etidronic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Etidronic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY DBVJJBKOTRCVKF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023028 CH$LINK: ChemOnt CHEMONTID:0000327; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000711.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000711.txt index e16a7e9ea29..3f10a29cb99 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000711.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000711.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000711 -RECORD_TITLE: Etidronic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Etidronic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY DBVJJBKOTRCVKF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023028 CH$LINK: ChemOnt CHEMONTID:0000327; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000712.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000712.txt index 1b3bc80596b..2c5909adac8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000712.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000712.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000712 -RECORD_TITLE: Etidronic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Etidronic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY DBVJJBKOTRCVKF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023028 CH$LINK: ChemOnt CHEMONTID:0000327; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000713.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000713.txt index 0bae80843d6..6975034109e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000713.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000713.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000713 -RECORD_TITLE: Etidronic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Etidronic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY DBVJJBKOTRCVKF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023028 CH$LINK: ChemOnt CHEMONTID:0000327; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000714.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000714.txt index edc10c9bcff..6b59cbad8eb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000714.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000714.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000714 -RECORD_TITLE: Ectoine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Ectoine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY WQXNXVUDBPYKBA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50869280 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000715.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000715.txt index ae7af4b4672..99fd840ef3e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000715.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000715.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000715 -RECORD_TITLE: Ectoine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Ectoine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY WQXNXVUDBPYKBA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50869280 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000716.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000716.txt index 02ec8f2c53d..200dd9f36d2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000716.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000716.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000716 -RECORD_TITLE: Ectoine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Ectoine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY WQXNXVUDBPYKBA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50869280 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000717.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000717.txt index b4d42ec6afc..762e2111318 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000717.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000717.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000717 -RECORD_TITLE: Ectoine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Ectoine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY WQXNXVUDBPYKBA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50869280 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000718.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000718.txt index cd9845ef003..81759902a4a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000718.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000718.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000718 -RECORD_TITLE: Ectoine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Ectoine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY WQXNXVUDBPYKBA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50869280 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000719.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000719.txt index bf147176a80..38dbc241444 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000719.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000719.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000719 -RECORD_TITLE: Ethionamide; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Ethionamide; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY AEOCXXJPGCBFJA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020577 CH$LINK: ChemOnt CHEMONTID:0000089; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000720.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000720.txt index 5d51f68efde..48c04bb992b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000720.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000720.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000720 -RECORD_TITLE: Ethionamide; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Ethionamide; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY AEOCXXJPGCBFJA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020577 CH$LINK: ChemOnt CHEMONTID:0000089; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000721.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000721.txt index 7a13dc525c9..87632c0c1a2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000721.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000721.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000721 -RECORD_TITLE: Ethionamide; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Ethionamide; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY AEOCXXJPGCBFJA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020577 CH$LINK: ChemOnt CHEMONTID:0000089; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000722.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000722.txt index 2bf60639520..bfdc32dda8b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000722.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000722.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000722 -RECORD_TITLE: Ethionamide; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Ethionamide; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY AEOCXXJPGCBFJA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020577 CH$LINK: ChemOnt CHEMONTID:0000089; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000723.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000723.txt index db26e0c8ad9..5e37deda411 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000723.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000723.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000723 -RECORD_TITLE: Ethionamide; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Ethionamide; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY AEOCXXJPGCBFJA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020577 CH$LINK: ChemOnt CHEMONTID:0000089; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000724.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000724.txt index da94237bc1c..d1feb63b119 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000724.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000724.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000724 -RECORD_TITLE: E-64; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: E-64; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:123985 CH$LINK: INCHIKEY LTLYEAJONXGNFG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000725.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000725.txt index 0d7eeeb8f4f..0bef5bf0fd4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000725.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000725.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000725 -RECORD_TITLE: E-64; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: E-64; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:123985 CH$LINK: INCHIKEY LTLYEAJONXGNFG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000726.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000726.txt index 7c459a82a92..9655d7cd9f5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000726.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000726.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000726 -RECORD_TITLE: E-64; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: E-64; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:123985 CH$LINK: INCHIKEY LTLYEAJONXGNFG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000727.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000727.txt index 1f2238bdb93..6ba71c7eb44 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000727.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000727.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000727 -RECORD_TITLE: E-64; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: E-64; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:123985 CH$LINK: INCHIKEY LTLYEAJONXGNFG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000728.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000728.txt index f8795a9a06f..b129d834159 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000728.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000728.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000728 -RECORD_TITLE: E-64; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: E-64; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:123985 CH$LINK: INCHIKEY LTLYEAJONXGNFG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000729.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000729.txt index f52adfdb059..17556cc3dc8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000729.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000729.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000729 -RECORD_TITLE: 3-Ethoxybenzoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 3-Ethoxybenzoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DTFQMPQJMDEWKJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80211152 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000730.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000730.txt index 6081471f1b5..dc32ee41789 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000730.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000730.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000730 -RECORD_TITLE: 3-Ethoxybenzoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 3-Ethoxybenzoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DTFQMPQJMDEWKJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80211152 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000731.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000731.txt index 78b54149eef..7131da483da 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000731.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000731.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000731 -RECORD_TITLE: 3-Ethoxybenzoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 3-Ethoxybenzoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DTFQMPQJMDEWKJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80211152 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000732.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000732.txt index e452dca00f1..b3b5009aed1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000732.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000732.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000732 -RECORD_TITLE: 3-Ethoxybenzoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 3-Ethoxybenzoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DTFQMPQJMDEWKJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80211152 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000733.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000733.txt index bc6d329640b..7ddfb6d7145 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000733.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000733.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000733 -RECORD_TITLE: 3-Ethoxybenzoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 3-Ethoxybenzoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DTFQMPQJMDEWKJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80211152 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000734.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000734.txt index 7c79293645f..983518cb667 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000734.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000734.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000734 -RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000735.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000735.txt index e03d8e67ea2..8ca28d6d654 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000735.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000735.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000735 -RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000736.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000736.txt index 86b2af95034..0ff69260824 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000736.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000736.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000736 -RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000737.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000737.txt index 1713dcb452f..f9782d9a4d6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000737.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000737.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000737 -RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000738.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000738.txt index 58b957f7f1b..799f09d1c1a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000738.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000738.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000738 -RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000739.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000739.txt index 9aee14e8f86..f996375c063 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000739.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000739.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000739 -RECORD_TITLE: Etodolac; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Etodolac; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY NNYBQONXHNTVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020615 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000740.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000740.txt index 3be0dea4699..faad6470fe0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000740.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000740.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000740 -RECORD_TITLE: Etodolac; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Etodolac; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY NNYBQONXHNTVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020615 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000741.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000741.txt index 1df10bc90c0..9d0e55189cd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000741.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000741.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000741 -RECORD_TITLE: Etodolac; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Etodolac; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY NNYBQONXHNTVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020615 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000742.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000742.txt index 0665a83c805..7c98c276943 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000742.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000742.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000742 -RECORD_TITLE: Etodolac; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Etodolac; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY NNYBQONXHNTVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020615 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000743.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000743.txt index 522ba099a12..48679ece551 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000743.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000743.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000743 -RECORD_TITLE: Etodolac; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Etodolac; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY NNYBQONXHNTVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020615 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000744.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000744.txt index 4d1f5a5dc70..6c6608ea5f1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000744.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000744.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000744 -RECORD_TITLE: D-Fructose 6-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: D-Fructose 6-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY GSXOAOHZAIYLCY-HSUXUTPPSA-N CH$LINK: COMPTOX DTXSID80904350 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000745.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000745.txt index 5768c9acd11..43a4866f280 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000745.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000745.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000745 -RECORD_TITLE: D-Fructose 6-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: D-Fructose 6-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439160 CH$LINK: INCHIKEY BGWGXPAPYGQALX-VRPWFDPXSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000746.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000746.txt index a4ee4f0b33d..e3209d0515d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000746.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000746.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000746 -RECORD_TITLE: D-Fructose 6-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: D-Fructose 6-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439160 CH$LINK: INCHIKEY BGWGXPAPYGQALX-VRPWFDPXSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000747.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000747.txt index 751f3c01dd4..7d5e74a3efb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000747.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000747.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000747 -RECORD_TITLE: D-Fructose 6-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: D-Fructose 6-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439160 CH$LINK: INCHIKEY BGWGXPAPYGQALX-VRPWFDPXSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000748.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000748.txt index 98637d2be13..f8140671312 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000748.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000748.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000748 -RECORD_TITLE: D-Fructose 6-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: D-Fructose 6-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439160 CH$LINK: INCHIKEY BGWGXPAPYGQALX-VRPWFDPXSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000749.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000749.txt index 67b79475145..18c70d55221 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000749.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000749.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000749 -RECORD_TITLE: Fructose 1,6-diphosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Fructose 1,6-diphosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:172313 CH$LINK: INCHIKEY XPYBSIWDXQFNMH-UYFOZJQFSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000750.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000750.txt index f4367aeffe9..672bb07c341 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000750.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000750.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000750 -RECORD_TITLE: Fructose 1,6-diphosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Fructose 1,6-diphosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:172313 CH$LINK: INCHIKEY RNBGYGVWRKECFJ-VRPWFDPXSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000751.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000751.txt index ba103f0969d..c9ee9ebdb31 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000751.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000751.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000751 -RECORD_TITLE: Fructose 1,6-diphosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Fructose 1,6-diphosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:172313 CH$LINK: INCHIKEY RNBGYGVWRKECFJ-VRPWFDPXSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000752.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000752.txt index 6b9e1ecc170..46836ab559c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000752.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000752.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000752 -RECORD_TITLE: Fructose 1,6-diphosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Fructose 1,6-diphosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:172313 CH$LINK: INCHIKEY RNBGYGVWRKECFJ-VRPWFDPXSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000753.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000753.txt index a1be5c83d94..47762d93624 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000753.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000753.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000753 -RECORD_TITLE: Fructose 1,6-diphosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Fructose 1,6-diphosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:172313 CH$LINK: INCHIKEY RNBGYGVWRKECFJ-VRPWFDPXSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000754.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000754.txt index e464881932b..1ff9130c5fe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000754.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000754.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000754 -RECORD_TITLE: Fructose 1-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Fructose 1-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY ZKLLSNQJRLJIGT-UYFOZJQFSA-N CH$LINK: COMPTOX DTXSID20891553 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000755.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000755.txt index 4a584244fb1..83a092c4008 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000755.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000755.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000755 -RECORD_TITLE: Fructose 1-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Fructose 1-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:439394 CH$LINK: INCHIKEY RHKKZBWRNHGJEZ-VRPWFDPXSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000756.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000756.txt index 551d688f87b..d8434e88ef3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000756.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000756.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000756 -RECORD_TITLE: Fructose 1-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Fructose 1-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:439394 CH$LINK: INCHIKEY RHKKZBWRNHGJEZ-VRPWFDPXSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000757.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000757.txt index ae2decfefdc..6e20861c6e9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000757.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000757.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000757 -RECORD_TITLE: Fructose 1-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Fructose 1-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:439394 CH$LINK: INCHIKEY RHKKZBWRNHGJEZ-VRPWFDPXSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000758.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000758.txt index 8101b8e2370..1ad6344df4e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000758.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000758.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000758 -RECORD_TITLE: Fructose 1-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Fructose 1-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:439394 CH$LINK: INCHIKEY RHKKZBWRNHGJEZ-VRPWFDPXSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000759.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000759.txt index ad1cbfb3604..d4b02dc2bc3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000759.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000759.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000759 -RECORD_TITLE: Fructose 2,6-diphosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Fructose 2,6-diphosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YXWOAJXNVLXPMU-ZXXMMSQZSA-N CH$LINK: COMPTOX DTXSID90897603 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000760.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000760.txt index 5e0ba679e52..39392174205 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000760.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000760.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000760 -RECORD_TITLE: Fructose 2,6-diphosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Fructose 2,6-diphosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YXWOAJXNVLXPMU-ZXXMMSQZSA-N CH$LINK: COMPTOX DTXSID90897603 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000761.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000761.txt index 4e0d37b161f..050399d723d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000761.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000761.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000761 -RECORD_TITLE: Fructose 2,6-diphosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Fructose 2,6-diphosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YXWOAJXNVLXPMU-ZXXMMSQZSA-N CH$LINK: COMPTOX DTXSID90897603 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000762.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000762.txt index 264a896e38d..8ea84245ada 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000762.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000762.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000762 -RECORD_TITLE: Fructose 2,6-diphosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Fructose 2,6-diphosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YXWOAJXNVLXPMU-ZXXMMSQZSA-N CH$LINK: COMPTOX DTXSID90897603 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000763.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000763.txt index 53ebe307de5..98ce333b3e0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000763.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000763.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000763 -RECORD_TITLE: Fructose 2,6-diphosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Fructose 2,6-diphosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YXWOAJXNVLXPMU-ZXXMMSQZSA-N CH$LINK: COMPTOX DTXSID90897603 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000764.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000764.txt index c0deb712f88..8f48df12f42 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000764.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000764.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000764 -RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QANMHLXAZMSUEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9035175 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000765.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000765.txt index 62bd1c9a8c5..b0ddefcef02 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000765.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000765.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000765 -RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QANMHLXAZMSUEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9035175 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000766.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000766.txt index 35c08a3aa4e..98ac13d42e2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000766.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000766.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000766 -RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QANMHLXAZMSUEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9035175 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000767.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000767.txt index 2558b8285cb..21250a59b3f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000767.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000767.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000767 -RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QANMHLXAZMSUEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9035175 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000768.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000768.txt index 5c79500ac30..293cdd9fee2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000768.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000768.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000768 -RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QANMHLXAZMSUEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9035175 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000769.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000769.txt index adacf16b341..cc6d7b465f1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000769.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000769.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000769 -RECORD_TITLE: 2-Furoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2-Furoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SMNDYUVBFMFKNZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6041420 CH$LINK: ChemOnt CHEMONTID:0004758; Organic compounds; Organoheterocyclic compounds; Furans; Furoic acid and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000770.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000770.txt index 7a7bccb8ccc..5e7c46da548 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000770.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000770.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000770 -RECORD_TITLE: 2-Furoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2-Furoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SMNDYUVBFMFKNZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6041420 CH$LINK: ChemOnt CHEMONTID:0004758; Organic compounds; Organoheterocyclic compounds; Furans; Furoic acid and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000771.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000771.txt index d57db2a5bda..8b8c2cce43f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000771.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000771.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000771 -RECORD_TITLE: 2-Furoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2-Furoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SMNDYUVBFMFKNZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6041420 CH$LINK: ChemOnt CHEMONTID:0004758; Organic compounds; Organoheterocyclic compounds; Furans; Furoic acid and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000772.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000772.txt index 7dc91889727..f019d0ea4b0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000772.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000772.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000772 -RECORD_TITLE: 2-Furoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2-Furoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SMNDYUVBFMFKNZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6041420 CH$LINK: ChemOnt CHEMONTID:0004758; Organic compounds; Organoheterocyclic compounds; Furans; Furoic acid and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000773.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000773.txt index de73d0010ef..670206655e9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000773.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000773.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000773 -RECORD_TITLE: 2-Furoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 2-Furoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SMNDYUVBFMFKNZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6041420 CH$LINK: ChemOnt CHEMONTID:0004758; Organic compounds; Organoheterocyclic compounds; Furans; Furoic acid and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000774.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000774.txt index b87a3d63d70..d47042a0ae2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000774.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000774.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000774 -RECORD_TITLE: N-Formylaspartic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: N-Formylaspartic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MQUUQXIFCBBFDP-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30941154 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000775.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000775.txt index a7fe8b983eb..287b91115db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000775.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000775.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000775 -RECORD_TITLE: N-Formylaspartic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: N-Formylaspartic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MQUUQXIFCBBFDP-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30941154 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000776.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000776.txt index 19f4fbb6117..48d3b721864 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000776.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000776.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000776 -RECORD_TITLE: N-Formylaspartic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: N-Formylaspartic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MQUUQXIFCBBFDP-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30941154 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000777.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000777.txt index ff1b4bf0c26..6d541e573da 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000777.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000777.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000777 -RECORD_TITLE: N-Formylaspartic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: N-Formylaspartic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MQUUQXIFCBBFDP-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30941154 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000778.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000778.txt index 78ce1b6765e..f3634e26029 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000778.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000778.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000778 -RECORD_TITLE: N-Formylaspartic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: N-Formylaspartic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MQUUQXIFCBBFDP-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30941154 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000779.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000779.txt index a92ba5a6aea..4bf4dd687c4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000779.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000779.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000779 -RECORD_TITLE: 4-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 4-Fluorobenzoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BBYDXOIZLAWGSL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9060023 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000780.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000780.txt index 08e9e0892e7..3bd58fd79ac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000780.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000780.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000780 -RECORD_TITLE: 4-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 4-Fluorobenzoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BBYDXOIZLAWGSL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9060023 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000781.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000781.txt index 0060370f5f3..a7b11f42df4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000781.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000781.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000781 -RECORD_TITLE: 4-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 4-Fluorobenzoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BBYDXOIZLAWGSL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9060023 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000782.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000782.txt index ca6c614ff1c..f7d89c19bab 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000782.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000782.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000782 -RECORD_TITLE: 4-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 4-Fluorobenzoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BBYDXOIZLAWGSL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9060023 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000783.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000783.txt index d77e55d08da..480b12a9049 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000783.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000783.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000783 -RECORD_TITLE: 4-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 4-Fluorobenzoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BBYDXOIZLAWGSL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9060023 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000784.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000784.txt index 5db8b73abc3..8f3ba0580ac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000784.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000784.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000784 -RECORD_TITLE: o-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: o-Fluorobenzoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NSTREUWFTAOOKS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1060001 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000785.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000785.txt index b9092294dda..11ac1acd5d2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000785.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000785.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000785 -RECORD_TITLE: o-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: o-Fluorobenzoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NSTREUWFTAOOKS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1060001 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000786.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000786.txt index c5f4b27c10d..425b26b08c6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000786.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000786.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000786 -RECORD_TITLE: o-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: o-Fluorobenzoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NSTREUWFTAOOKS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1060001 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000787.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000787.txt index cb44c5e5d63..c8d795ff6d5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000787.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000787.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000787 -RECORD_TITLE: o-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: o-Fluorobenzoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NSTREUWFTAOOKS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1060001 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000788.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000788.txt index 5821fa64141..7bfa2f47e64 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000788.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000788.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000788 -RECORD_TITLE: o-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: o-Fluorobenzoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NSTREUWFTAOOKS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1060001 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000789.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000789.txt index b779ff3ce1f..59713c938b4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000789.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000789.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000789 -RECORD_TITLE: Formiminoaspartate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Formiminoaspartate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440000 CH$LINK: INCHIKEY XTPIFIMCFHNJOH-VKHMYHEASA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000790.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000790.txt index 58ca20dbea0..630c698662a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000790.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000790.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000790 -RECORD_TITLE: Formiminoaspartate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Formiminoaspartate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440000 CH$LINK: INCHIKEY XTPIFIMCFHNJOH-VKHMYHEASA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000791.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000791.txt index dee5c885347..db4102fa13f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000791.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000791.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000791 -RECORD_TITLE: Formiminoaspartate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Formiminoaspartate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440000 CH$LINK: INCHIKEY XTPIFIMCFHNJOH-VKHMYHEASA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000792.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000792.txt index fe5eb7ff506..686163f6553 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000792.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000792.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000792 -RECORD_TITLE: Formiminoaspartate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Formiminoaspartate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440000 CH$LINK: INCHIKEY XTPIFIMCFHNJOH-VKHMYHEASA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000793.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000793.txt index 2404cdc5177..c1572c1fe61 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000793.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000793.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000793 -RECORD_TITLE: Formiminoaspartate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Formiminoaspartate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440000 CH$LINK: INCHIKEY XTPIFIMCFHNJOH-VKHMYHEASA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000794.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000794.txt index 6f3f1ed64cf..b4314653e6b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000794.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000794.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000794 -RECORD_TITLE: 3-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 3-Fluorobenzoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MXNBDFWNYRNIBH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4060020 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000795.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000795.txt index cb5912f5d8b..9d03fe4fe94 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000795.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000795.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000795 -RECORD_TITLE: 3-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 3-Fluorobenzoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MXNBDFWNYRNIBH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4060020 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000796.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000796.txt index 5967e28649a..b41ce622a1c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000796.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000796.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000796 -RECORD_TITLE: 3-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 3-Fluorobenzoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MXNBDFWNYRNIBH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4060020 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000797.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000797.txt index c6b2765ecf1..125a27c0d0f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000797.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000797.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000797 -RECORD_TITLE: 3-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 3-Fluorobenzoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MXNBDFWNYRNIBH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4060020 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000798.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000798.txt index 9affb067a00..aa18156498a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000798.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000798.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000798 -RECORD_TITLE: 3-Fluorobenzoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 3-Fluorobenzoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MXNBDFWNYRNIBH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4060020 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000799.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000799.txt index d1a3dfbf503..ebecc444e2c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000799.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000799.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000799 -RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY PYUSHNKNPOHWEZ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80863357 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000800.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000800.txt index 2f058f74b90..b2f997119c4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000800.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000800.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000800 -RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY PYUSHNKNPOHWEZ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80863357 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000801.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000801.txt index 84cf6138f3a..4fc993dce2c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000801.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000801 -RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY PYUSHNKNPOHWEZ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80863357 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000802.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000802.txt index 20768affd04..71e2f721489 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000802.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000802 -RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY PYUSHNKNPOHWEZ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80863357 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000803.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000803.txt index a3f464ef575..60630faeecc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000803.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000803 -RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY PYUSHNKNPOHWEZ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80863357 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000804.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000804.txt index 1795a2ae0f4..544a5231025 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000804.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000804 -RECORD_TITLE: Glucose; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Glucose; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:5793 CH$LINK: INCHIKEY WQZGKKKJIJFFOK-GASJEMHNSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000805.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000805.txt index f0eb50820ca..347975f3382 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000805.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000805 -RECORD_TITLE: Glucose; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Glucose; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:5793 CH$LINK: INCHIKEY WQZGKKKJIJFFOK-GASJEMHNSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000806.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000806.txt index c000550e2d4..67aa74d1b70 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000806.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000806.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000806 -RECORD_TITLE: Glucose; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Glucose; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:5793 CH$LINK: INCHIKEY WQZGKKKJIJFFOK-GASJEMHNSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000807.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000807.txt index 3dc969cbc39..fb4ec848c83 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000807.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000807 -RECORD_TITLE: Glucose; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Glucose; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:5793 CH$LINK: INCHIKEY WQZGKKKJIJFFOK-GASJEMHNSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000808.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000808.txt index a43575b303e..df19c183442 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000808.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000808 -RECORD_TITLE: Glucose; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Glucose; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:5793 CH$LINK: INCHIKEY WQZGKKKJIJFFOK-GASJEMHNSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000809.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000809.txt index 928f3fb31ef..a0c8ddda066 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000809.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000809.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000809 -RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000810.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000810.txt index 8ffcd6c2f1b..b787d6f2ef5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000810.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000810.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000810 -RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000811.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000811.txt index ff240398ca6..c5303410fd2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000811.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000811.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000811 -RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000812.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000812.txt index bddb4b9505e..70dec098822 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000812.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000812.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000812 -RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000813.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000813.txt index 8cc09c01c4e..1e599537bc1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000813.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000813.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000813 -RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000814.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000814.txt index b07318bb33c..3e22b376f75 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000814.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000814.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000814 -RECORD_TITLE: Glucuronic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Glucuronic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY AEMOLEFTQBMNLQ-AQKNRBDQSA-N CH$LINK: COMPTOX DTXSID50894097 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000815.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000815.txt index a4915042199..4366f777deb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000815.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000815.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000815 -RECORD_TITLE: Glucuronic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Glucuronic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY AEMOLEFTQBMNLQ-AQKNRBDQSA-N CH$LINK: COMPTOX DTXSID50894097 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000816.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000816.txt index 74719d5651e..e18e59d99f3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000816.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000816.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000816 -RECORD_TITLE: Glucuronic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Glucuronic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY AEMOLEFTQBMNLQ-AQKNRBDQSA-N CH$LINK: COMPTOX DTXSID50894097 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000817.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000817.txt index 4c7ae3e2176..8b6910f7320 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000817.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000817.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000817 -RECORD_TITLE: Glucuronic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Glucuronic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY AEMOLEFTQBMNLQ-AQKNRBDQSA-N CH$LINK: COMPTOX DTXSID50894097 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000818.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000818.txt index 2adaf4e3693..a2df46b5453 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000818.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000818.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000818 -RECORD_TITLE: Glucuronic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Glucuronic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY AEMOLEFTQBMNLQ-AQKNRBDQSA-N CH$LINK: COMPTOX DTXSID50894097 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000819.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000819.txt index 54107113554..d0ae9bd53f5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000819.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000819.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000819 -RECORD_TITLE: D-Glu; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: D-Glu; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY WHUUTDBJXJRKMK-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID1048675 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000820.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000820.txt index e48a6349d5d..91a18b71e9b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000820.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000820.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000820 -RECORD_TITLE: D-Glu; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: D-Glu; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY WHUUTDBJXJRKMK-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID1048675 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000821.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000821.txt index b5cadc71d42..0f5606e070c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000821.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000821.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000821 -RECORD_TITLE: D-Glu; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: D-Glu; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY WHUUTDBJXJRKMK-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID1048675 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000822.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000822.txt index 1f9b0fdafa4..b5c3a398d6c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000822.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000822.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000822 -RECORD_TITLE: D-Glu; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: D-Glu; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY WHUUTDBJXJRKMK-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID1048675 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000823.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000823.txt index 772b117117b..19e7444eff8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000823.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000823.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000823 -RECORD_TITLE: D-Glu; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: D-Glu; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY WHUUTDBJXJRKMK-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID1048675 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000824.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000824.txt index ae3a5cee982..2978e875f9a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000824.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000824.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000824 -RECORD_TITLE: L-Glutathione (reduced form); LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-Glutathione (reduced form); LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY RWSXRVCMGQZWBV-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID6023101 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000825.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000825.txt index 43134e6528c..41a3eee6521 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000825.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000825.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000825 -RECORD_TITLE: L-Glutathione (reduced form); LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-Glutathione (reduced form); LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY RWSXRVCMGQZWBV-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID6023101 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000826.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000826.txt index e71a9de4d61..4efa5ce41ad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000826.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000826.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000826 -RECORD_TITLE: L-Glutathione (reduced form); LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-Glutathione (reduced form); LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY RWSXRVCMGQZWBV-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID6023101 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000827.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000827.txt index db931a0a1fa..e7ed2bc91df 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000827.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000827.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000827 -RECORD_TITLE: L-Glutathione (reduced form); LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: L-Glutathione (reduced form); LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY RWSXRVCMGQZWBV-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID6023101 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000828.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000828.txt index bf2135521a5..165c2b31630 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000828.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000828.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000828 -RECORD_TITLE: L-Glutathione (reduced form); LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: L-Glutathione (reduced form); LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY RWSXRVCMGQZWBV-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID6023101 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000829.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000829.txt index be7db6d6672..71bdb6671ba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000829.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000829.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000829 -RECORD_TITLE: Glycine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Glycine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DHMQDGOQFOQNFH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020667 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000830.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000830.txt index ff3496755c5..b30617baf91 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000830.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000830.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000830 -RECORD_TITLE: Glycine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Glycine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DHMQDGOQFOQNFH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020667 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000831.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000831.txt index 7a2bc023bd6..7e0a02e480a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000831.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000831.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000831 -RECORD_TITLE: Glycine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Glycine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DHMQDGOQFOQNFH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020667 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000832.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000832.txt index e4352caede2..8500b6462b8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000832.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000832.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000832 -RECORD_TITLE: Glycolic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Glycolic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY AEMRFAOFKBGASW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0025363 CH$LINK: ChemOnt CHEMONTID:0001359; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Alpha hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000833.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000833.txt index 50ea54f55df..88f94232898 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000833.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000833.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000833 -RECORD_TITLE: Glycolic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Glycolic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY AEMRFAOFKBGASW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0025363 CH$LINK: ChemOnt CHEMONTID:0001359; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Alpha hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000834.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000834.txt index 977ab593c00..8c667c36c81 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000834.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000834.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000834 -RECORD_TITLE: Glycolic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Glycolic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY AEMRFAOFKBGASW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0025363 CH$LINK: ChemOnt CHEMONTID:0001359; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Alpha hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000835.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000835.txt index fa8e251ddd6..1dab71b4119 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000835.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000835.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000835 -RECORD_TITLE: Glyoxylic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Glyoxylic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY HHLFWLYXYJOTON-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021594 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000836.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000836.txt index 934869d480a..ee7f76511dc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000836.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000836.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000836 -RECORD_TITLE: Glyoxylic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Glyoxylic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY HHLFWLYXYJOTON-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021594 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000837.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000837.txt index 8c36a4efd85..21786e1e095 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000837.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000837.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000837 -RECORD_TITLE: Glyoxylic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Glyoxylic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY HHLFWLYXYJOTON-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021594 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000838.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000838.txt index 7773c6adfed..0f5ceefea76 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000838.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000838.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000838 -RECORD_TITLE: Guanosine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Guanosine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: NIKKAJI J10.076E CH$LINK: PUBCHEM CID:135398635 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000839.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000839.txt index 09ce02e9e4a..6380704f77b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000839.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000839.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000839 -RECORD_TITLE: Guanosine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Guanosine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: NIKKAJI J10.076E CH$LINK: PUBCHEM CID:135398635 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000840.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000840.txt index c84be57cb0e..20751cd6dde 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000840.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000840.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000840 -RECORD_TITLE: Guanosine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Guanosine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: NIKKAJI J10.076E CH$LINK: PUBCHEM CID:135398635 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000841.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000841.txt index f12db6c5984..7cf97b4f014 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000841.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000841.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000841 -RECORD_TITLE: Guanosine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Guanosine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: NIKKAJI J10.076E CH$LINK: PUBCHEM CID:135398635 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000842.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000842.txt index 9ffac36912f..a9f9c77b1c4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000842.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000842.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000842 -RECORD_TITLE: Guanosine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Guanosine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: NIKKAJI J10.076E CH$LINK: PUBCHEM CID:135398635 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000843.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000843.txt index 069aa8233d1..298f4ef655e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000843.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000843.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000843 -RECORD_TITLE: L-Glutamine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-Glutamine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID1023100 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000844.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000844.txt index 0e5883a5283..2ac74329a4c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000844.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000844.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000844 -RECORD_TITLE: L-Glutamine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-Glutamine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID1023100 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000845.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000845.txt index 0334131e46c..04fd1709792 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000845.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000845.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000845 -RECORD_TITLE: L-Glutamine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-Glutamine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID1023100 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000846.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000846.txt index 3601dac4bc4..2fb647216a5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000846.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000846.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000846 -RECORD_TITLE: L-Glutamine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: L-Glutamine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID1023100 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000847.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000847.txt index 6720ef46a1d..53a3f40364f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000847.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000847.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000847 -RECORD_TITLE: L-Glutamine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: L-Glutamine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID1023100 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000848.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000848.txt index e421b8cd8ee..158d28ce412 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000848.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000848.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000848 -RECORD_TITLE: L-Glutamic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-Glutamic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY WHUUTDBJXJRKMK-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5020659 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000849.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000849.txt index 489d73c3ba1..81427720d19 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000849.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000849.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000849 -RECORD_TITLE: L-Glutamic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-Glutamic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY WHUUTDBJXJRKMK-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5020659 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000850.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000850.txt index 2b578912812..0892c7148e0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000850.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000850.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000850 -RECORD_TITLE: L-Glutamic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-Glutamic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY WHUUTDBJXJRKMK-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5020659 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000851.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000851.txt index dbf99ace773..879cb7d8e25 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000851.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000851.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000851 -RECORD_TITLE: L-Glutamic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: L-Glutamic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY WHUUTDBJXJRKMK-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5020659 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000852.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000852.txt index fe6f2fb3857..ce00cefa1b8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000852.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000852.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000852 -RECORD_TITLE: L-Glutamic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: L-Glutamic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY WHUUTDBJXJRKMK-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5020659 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000853.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000853.txt index 0bb22978dae..0baac6c1f46 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000853.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000853.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000853 -RECORD_TITLE: Glucose 1-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Glucose 1-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-VFUOTHLCSA-N CH$LINK: COMPTOX DTXSID90889321 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000854.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000854.txt index e01f666ca56..910e7c246e3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000854.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000854.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000854 -RECORD_TITLE: Glucose 1-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Glucose 1-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-VFUOTHLCSA-N CH$LINK: COMPTOX DTXSID90889321 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000855.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000855.txt index 1ef9414179c..1ca90dd3573 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000855.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000855.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000855 -RECORD_TITLE: Glucose 1-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Glucose 1-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-VFUOTHLCSA-N CH$LINK: COMPTOX DTXSID90889321 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000856.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000856.txt index 0382a457a77..5f046eedfbc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000856.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000856.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000856 -RECORD_TITLE: Glucose 1-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Glucose 1-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-VFUOTHLCSA-N CH$LINK: COMPTOX DTXSID90889321 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000857.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000857.txt index 917204b6f22..8c964c43d4d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000857.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000857.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000857 -RECORD_TITLE: Glucose 1-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Glucose 1-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-VFUOTHLCSA-N CH$LINK: COMPTOX DTXSID90889321 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000858.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000858.txt index 51ddaed16e0..71c1d7a874b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000858.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000858.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000858 -RECORD_TITLE: Glyceric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Glyceric acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439194 CH$LINK: INCHIKEY RBNPOMFGQQGHHO-UWTATZPHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000859.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000859.txt index 4aadff5e137..68604a1dfed 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000859.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000859.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000859 -RECORD_TITLE: Glyceric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Glyceric acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439194 CH$LINK: INCHIKEY RBNPOMFGQQGHHO-UWTATZPHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000860.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000860.txt index 64ad7f0f361..88c756a859d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000860.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000860.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000860 -RECORD_TITLE: Glyceric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Glyceric acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439194 CH$LINK: INCHIKEY RBNPOMFGQQGHHO-UWTATZPHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000861.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000861.txt index ed5bbe8f2e2..79785fc9db7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000861.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000861.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000861 -RECORD_TITLE: Glyceric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Glyceric acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439194 CH$LINK: INCHIKEY RBNPOMFGQQGHHO-UWTATZPHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000862.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000862.txt index da49975638b..9d4eb21fbd7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000862.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000862.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000862 -RECORD_TITLE: Glyceric acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Glyceric acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439194 CH$LINK: INCHIKEY RBNPOMFGQQGHHO-UWTATZPHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000863.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000863.txt index b10da8433e0..ba9ea4ea15d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000863.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000863.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000863 -RECORD_TITLE: Gluconic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Gluconic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY RGHNJXZEOKUKBD-SQOUGZDYSA-N CH$LINK: COMPTOX DTXSID8027169 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000864.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000864.txt index 8bb516ff5e0..640afe2b693 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000864.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000864.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000864 -RECORD_TITLE: Gluconic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Gluconic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY RGHNJXZEOKUKBD-SQOUGZDYSA-N CH$LINK: COMPTOX DTXSID8027169 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000865.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000865.txt index 648f69d9891..63fec5a780a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000865.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000865.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000865 -RECORD_TITLE: Gluconic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Gluconic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY RGHNJXZEOKUKBD-SQOUGZDYSA-N CH$LINK: COMPTOX DTXSID8027169 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000866.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000866.txt index 2e84d9b5d6c..10d45792abe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000866.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000866.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000866 -RECORD_TITLE: Gluconic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Gluconic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY RGHNJXZEOKUKBD-SQOUGZDYSA-N CH$LINK: COMPTOX DTXSID8027169 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000867.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000867.txt index 7d6e067e94d..408085557d4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000867.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000867.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000867 -RECORD_TITLE: Gluconic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Gluconic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY RGHNJXZEOKUKBD-SQOUGZDYSA-N CH$LINK: COMPTOX DTXSID8027169 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000868.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000868.txt index f07c45e6653..c6a4d2e2264 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000868.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000868.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000868 -RECORD_TITLE: gamma-Guanidinobutyric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: gamma-Guanidinobutyric acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY TUHVEAJXIMEOSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50196785 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000869.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000869.txt index cc652bd7b17..728971a2304 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000869.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000869.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000869 -RECORD_TITLE: gamma-Guanidinobutyric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: gamma-Guanidinobutyric acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY TUHVEAJXIMEOSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50196785 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000870.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000870.txt index 7574f345947..948ce13c794 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000870.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000870.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000870 -RECORD_TITLE: gamma-Guanidinobutyric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: gamma-Guanidinobutyric acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY TUHVEAJXIMEOSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50196785 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000871.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000871.txt index 9bef9cdc579..5308e18bde5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000871.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000871.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000871 -RECORD_TITLE: gamma-Guanidinobutyric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: gamma-Guanidinobutyric acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY TUHVEAJXIMEOSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50196785 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000872.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000872.txt index 32044e3a80c..3ca0023115e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000872.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000872.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000872 -RECORD_TITLE: gamma-Guanidinobutyric acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: gamma-Guanidinobutyric acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY TUHVEAJXIMEOSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50196785 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000873.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000873.txt index b72fa668399..ffb61687a13 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000873.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000873.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000873 -RECORD_TITLE: Glutaric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Glutaric acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY JFCQEDHGNNZCLN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021654 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000874.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000874.txt index 4da268861a1..d8de4bffeb3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000874.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000874.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000874 -RECORD_TITLE: Glutaric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Glutaric acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY JFCQEDHGNNZCLN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021654 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000875.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000875.txt index 37d90769888..b603e15169e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000875.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000875.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000875 -RECORD_TITLE: Glutaric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Glutaric acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY JFCQEDHGNNZCLN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021654 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000876.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000876.txt index f0bfed85aa9..8fc93c8eb1b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000876.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000876.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000876 -RECORD_TITLE: Glutaric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Glutaric acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY JFCQEDHGNNZCLN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021654 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000877.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000877.txt index cc46ffd3d4e..85879a27076 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000877.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000877.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000877 -RECORD_TITLE: Glutaric acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Glutaric acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY JFCQEDHGNNZCLN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021654 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000878.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000878.txt index 5b669b24fa5..bbcc64a6cc6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000878.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000878.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000878 -RECORD_TITLE: Gly-Gly; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Gly-Gly; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862194 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000879.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000879.txt index 8f032d7722d..e39dd53cc1f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000879.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000879.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000879 -RECORD_TITLE: Gly-Gly; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Gly-Gly; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862194 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000880.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000880.txt index 82bcd416cae..2f6e23947e8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000880.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000880.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000880 -RECORD_TITLE: Gly-Gly; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Gly-Gly; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862194 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000881.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000881.txt index 187cfa87623..dba8a9d0133 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000881.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000881.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000881 -RECORD_TITLE: Gly-Gly; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Gly-Gly; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862194 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000882.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000882.txt index 4ba9d3d0f4b..b9ce2472adf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000882.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000882.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000882 -RECORD_TITLE: Gly-Gly; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Gly-Gly; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862194 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000883.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000883.txt index 524b332dfb6..d573509d2bc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000883.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000883.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000883 -RECORD_TITLE: Glu-Glu; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Glu-Glu; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KOSRFJWDECSPRO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70960026 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000884.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000884.txt index cce0038d9df..220a687edc5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000884.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000884.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000884 -RECORD_TITLE: Glu-Glu; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Glu-Glu; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:439500 CH$LINK: INCHIKEY KOSRFJWDECSPRO-WDSKDSINSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000885.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000885.txt index 50ea2c0372c..9cc9e652a80 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000885.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000885.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000885 -RECORD_TITLE: Glu-Glu; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Glu-Glu; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:439500 CH$LINK: INCHIKEY KOSRFJWDECSPRO-WDSKDSINSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000886.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000886.txt index be3c7f5c44f..9524ef7ed46 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000886.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000886.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000886 -RECORD_TITLE: Glu-Glu; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Glu-Glu; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:439500 CH$LINK: INCHIKEY KOSRFJWDECSPRO-WDSKDSINSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000887.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000887.txt index 0ecf916885b..6c9f8741b39 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000887.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000887.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000887 -RECORD_TITLE: Glu-Glu; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Glu-Glu; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:439500 CH$LINK: INCHIKEY KOSRFJWDECSPRO-WDSKDSINSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000888.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000888.txt index 9b16a50b900..522ad011cb0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000888.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000888.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000888 -RECORD_TITLE: Gallic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Gallic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY LNTHITQWFMADLM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020650 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000889.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000889.txt index 85f4d744eca..c57112f328e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000889.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000889.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000889 -RECORD_TITLE: Gallic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Gallic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY LNTHITQWFMADLM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020650 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000890.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000890.txt index 80dcf2766f2..bd452f73b4d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000890.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000890.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000890 -RECORD_TITLE: Gallic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Gallic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY LNTHITQWFMADLM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020650 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000891.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000891.txt index 8bf7bb6d777..20684f866d8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000891.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000891.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000891 -RECORD_TITLE: Gallic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Gallic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY LNTHITQWFMADLM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020650 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000892.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000892.txt index 2eea55add2f..5ca63fe414a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000892.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000892.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000892 -RECORD_TITLE: Gallic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Gallic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY LNTHITQWFMADLM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020650 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000893.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000893.txt index bd8ee9883c9..9fc1572b807 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000893.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000893.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000893 -RECORD_TITLE: Glycocholic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Glycocholic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY RFDAIACWWDREDC-FRVQLJSFSA-N CH$LINK: COMPTOX DTXSID2047436 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000894.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000894.txt index cd497b7393e..f7cbe1f5501 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000894.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000894.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000894 -RECORD_TITLE: Glycocholic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Glycocholic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY RFDAIACWWDREDC-FRVQLJSFSA-N CH$LINK: COMPTOX DTXSID2047436 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000895.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000895.txt index aaa1cee5ae3..c99760fd3c2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000895.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000895.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000895 -RECORD_TITLE: Glycocholic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Glycocholic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY RFDAIACWWDREDC-FRVQLJSFSA-N CH$LINK: COMPTOX DTXSID2047436 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000896.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000896.txt index f58d3c1f2ea..144cf82b39e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000896.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000896.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000896 -RECORD_TITLE: Glycocholic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Glycocholic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY RFDAIACWWDREDC-FRVQLJSFSA-N CH$LINK: COMPTOX DTXSID2047436 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000897.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000897.txt index 7700aea677d..266eda3c8bf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000897.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000897.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000897 -RECORD_TITLE: Glycocholic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Glycocholic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY RFDAIACWWDREDC-FRVQLJSFSA-N CH$LINK: COMPTOX DTXSID2047436 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000898.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000898.txt index ba87a3522f3..ec25a277601 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000898.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000898.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000898 -RECORD_TITLE: Glycyrrhizin; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Glycyrrhizin; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY LPLVUJXQOOQHMX-QWBHMCJMSA-N CH$LINK: COMPTOX DTXSID8047006 CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000899.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000899.txt index 5e20db4a9ed..34744711f98 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000899.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000899.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000899 -RECORD_TITLE: Glycyrrhizin; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Glycyrrhizin; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY LPLVUJXQOOQHMX-QWBHMCJMSA-N CH$LINK: COMPTOX DTXSID8047006 CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000900.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000900.txt index b84336d5718..89d4eb58a6a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000900.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000900.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000900 -RECORD_TITLE: Glycyrrhizin; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Glycyrrhizin; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY LPLVUJXQOOQHMX-QWBHMCJMSA-N CH$LINK: COMPTOX DTXSID8047006 CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000901.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000901.txt index 3d06993912f..5e852c6fa4c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000901.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000901 -RECORD_TITLE: Glycyrrhizin; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Glycyrrhizin; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY LPLVUJXQOOQHMX-QWBHMCJMSA-N CH$LINK: COMPTOX DTXSID8047006 CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000902.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000902.txt index 19a5008bd90..91012190db2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000902.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000902 -RECORD_TITLE: Glycyrrhizin; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Glycyrrhizin; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY LPLVUJXQOOQHMX-QWBHMCJMSA-N CH$LINK: COMPTOX DTXSID8047006 CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000903.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000903.txt index 409d91cc749..63aa4f51033 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000903.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000903 -RECORD_TITLE: Glucosaminic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Glucosaminic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY UFYKDFXCZBTLOO-TXICZTDVSA-N CH$LINK: COMPTOX DTXSID60878848 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000904.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000904.txt index b30115a1fc2..40981b5a922 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000904.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000904 -RECORD_TITLE: Glucosaminic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Glucosaminic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY UFYKDFXCZBTLOO-TXICZTDVSA-N CH$LINK: COMPTOX DTXSID60878848 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000905.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000905.txt index c9458d1845b..770617e3833 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000905.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000905 -RECORD_TITLE: Glucosaminic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Glucosaminic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY UFYKDFXCZBTLOO-TXICZTDVSA-N CH$LINK: COMPTOX DTXSID60878848 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000906.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000906.txt index 11c4edf6253..861d8b26c3b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000906.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000906.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000906 -RECORD_TITLE: Glucosaminic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Glucosaminic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY UFYKDFXCZBTLOO-TXICZTDVSA-N CH$LINK: COMPTOX DTXSID60878848 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000907.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000907.txt index 23ac24a7f89..d61df325901 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000907.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000907 -RECORD_TITLE: Glucosaminic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Glucosaminic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY UFYKDFXCZBTLOO-TXICZTDVSA-N CH$LINK: COMPTOX DTXSID60878848 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000908.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000908.txt index 547e906cf67..905d1286547 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000908.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000908 -RECORD_TITLE: N-Glycolylneuraminic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: N-Glycolylneuraminic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:440001 CH$LINK: INCHIKEY FDJKUWYYUZCUJX-AJKRCSPLSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000909.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000909.txt index 2814c9acde3..c32a0a64f17 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000909.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000909 -RECORD_TITLE: N-Glycolylneuraminic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: N-Glycolylneuraminic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:440001 CH$LINK: INCHIKEY FDJKUWYYUZCUJX-AJKRCSPLSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000910.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000910.txt index 599e7acd064..e34e2ce112f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000910.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000910.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000910 -RECORD_TITLE: N-Glycolylneuraminic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: N-Glycolylneuraminic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:440001 CH$LINK: INCHIKEY FDJKUWYYUZCUJX-AJKRCSPLSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000911.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000911.txt index bfe4b9c270f..e0da4d6fe89 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000911.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000911.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000911 -RECORD_TITLE: N-Glycolylneuraminic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: N-Glycolylneuraminic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:440001 CH$LINK: INCHIKEY FDJKUWYYUZCUJX-AJKRCSPLSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000912.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000912.txt index 017d6a7539d..457563877d8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000912.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000912.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000912 -RECORD_TITLE: N-Glycolylneuraminic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: N-Glycolylneuraminic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:440001 CH$LINK: INCHIKEY FDJKUWYYUZCUJX-AJKRCSPLSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000913.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000913.txt index ba34bf62157..93d598ef7bf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000913.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000913.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000913 -RECORD_TITLE: Galactosamine 1-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Galactosamine 1-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY YMJBYRVFGYXULK-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID30949296 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000914.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000914.txt index 6f9938911b2..d50ddff39d6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000914.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000914.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000914 -RECORD_TITLE: Galactosamine 1-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Galactosamine 1-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY YMJBYRVFGYXULK-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID30949296 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000915.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000915.txt index 0151035acb9..82a724ee70a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000915.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000915.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000915 -RECORD_TITLE: Galactosamine 1-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Galactosamine 1-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY YMJBYRVFGYXULK-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID30949296 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000916.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000916.txt index 7779a041444..21b685265e6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000916.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000916.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000916 -RECORD_TITLE: Galactosamine 1-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Galactosamine 1-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY YMJBYRVFGYXULK-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID30949296 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000917.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000917.txt index 4ca7f80e303..fd576e2b5c3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000917.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000917.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000917 -RECORD_TITLE: Galactosamine 1-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Galactosamine 1-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY YMJBYRVFGYXULK-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID30949296 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000918.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000918.txt index 8d986e35303..742342aaafe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000918.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000918.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000918 -RECORD_TITLE: Galacturonic acid 1-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Galacturonic acid 1-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440203 CH$LINK: INCHIKEY AIQDYKMWENWVQJ-DTEWXJGMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000919.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000919.txt index c31abca2d26..b2cfec9fa71 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000919.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000919.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000919 -RECORD_TITLE: Galacturonic acid 1-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Galacturonic acid 1-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440203 CH$LINK: INCHIKEY AIQDYKMWENWVQJ-DTEWXJGMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000920.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000920.txt index 4e061a3161c..f1bcd009881 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000920.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000920.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000920 -RECORD_TITLE: Galacturonic acid 1-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Galacturonic acid 1-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440203 CH$LINK: INCHIKEY AIQDYKMWENWVQJ-DTEWXJGMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000921.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000921.txt index eb9ac119af0..39f53d672bb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000921.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000921.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000921 -RECORD_TITLE: Galacturonic acid 1-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Galacturonic acid 1-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440203 CH$LINK: INCHIKEY AIQDYKMWENWVQJ-DTEWXJGMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000922.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000922.txt index 03d65f62ce8..a28141ef4c1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000922.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000922.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000922 -RECORD_TITLE: Galacturonic acid 1-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Galacturonic acid 1-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440203 CH$LINK: INCHIKEY AIQDYKMWENWVQJ-DTEWXJGMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000923.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000923.txt index 2115a6b534e..1ce7319686e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000923.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000923.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000923 -RECORD_TITLE: Gly-Leu; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Gly-Leu; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:92843 CH$LINK: INCHIKEY DKEXFJVMVGETOO-LURJTMIESA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000924.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000924.txt index fce89b1a798..e05b4b95818 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000924.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000924.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000924 -RECORD_TITLE: Gly-Leu; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Gly-Leu; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:92843 CH$LINK: INCHIKEY DKEXFJVMVGETOO-LURJTMIESA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000925.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000925.txt index cfaf596b833..db8c1fa4826 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000925.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000925.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000925 -RECORD_TITLE: Gly-Leu; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Gly-Leu; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:92843 CH$LINK: INCHIKEY DKEXFJVMVGETOO-LURJTMIESA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000926.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000926.txt index 41dc8f60e8c..cd9f7e654c9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000926.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000926.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000926 -RECORD_TITLE: Gly-Leu; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Gly-Leu; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:92843 CH$LINK: INCHIKEY DKEXFJVMVGETOO-LURJTMIESA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000927.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000927.txt index 7931f67e627..e02165a5365 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000927.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000927.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000927 -RECORD_TITLE: Gly-Leu; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Gly-Leu; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:92843 CH$LINK: INCHIKEY DKEXFJVMVGETOO-LURJTMIESA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000928.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000928.txt index d2ec0986ca7..2da98b738c6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000928.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000928.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000928 -RECORD_TITLE: Gibberellic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Gibberellic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439551 CH$LINK: INCHIKEY IXORZMNAPKEEDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000929.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000929.txt index 3069c5bc03f..1d547284d6a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000929.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000929.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000929 -RECORD_TITLE: Gibberellic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Gibberellic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439551 CH$LINK: INCHIKEY IXORZMNAPKEEDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000930.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000930.txt index 7dd7a15c06b..5177af50279 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000930.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000930.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000930 -RECORD_TITLE: Gibberellic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Gibberellic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439551 CH$LINK: INCHIKEY IXORZMNAPKEEDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000931.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000931.txt index fc40a39996b..dd47f7ea175 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000931.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000931.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000931 -RECORD_TITLE: Gibberellic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Gibberellic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439551 CH$LINK: INCHIKEY IXORZMNAPKEEDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000932.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000932.txt index b85464abcd6..0e879ebf036 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000932.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000932.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000932 -RECORD_TITLE: Gibberellic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Gibberellic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439551 CH$LINK: INCHIKEY IXORZMNAPKEEDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000933.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000933.txt index d380734af4f..1a4237a09ba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000933.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000933.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000933 -RECORD_TITLE: Glycyrrhetinic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Glycyrrhetinic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY MPDGHEJMBKOTSU-YKLVYJNSSA-N CH$LINK: COMPTOX DTXSID9020669 CH$LINK: ChemOnt CHEMONTID:0001553; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000934.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000934.txt index 6e2fae0e62a..e25cbbef4db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000934.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000934.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000934 -RECORD_TITLE: Glycyrrhetinic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Glycyrrhetinic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY MPDGHEJMBKOTSU-YKLVYJNSSA-N CH$LINK: COMPTOX DTXSID9020669 CH$LINK: ChemOnt CHEMONTID:0001553; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000935.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000935.txt index 92f4443c6fd..80136f68050 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000935.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000935.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000935 -RECORD_TITLE: Glycyrrhetinic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Glycyrrhetinic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY MPDGHEJMBKOTSU-YKLVYJNSSA-N CH$LINK: COMPTOX DTXSID9020669 CH$LINK: ChemOnt CHEMONTID:0001553; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000936.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000936.txt index 8bf20dfa9dd..091ec8ce084 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000936.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000936.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000936 -RECORD_TITLE: Glycyrrhetinic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Glycyrrhetinic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY MPDGHEJMBKOTSU-YKLVYJNSSA-N CH$LINK: COMPTOX DTXSID9020669 CH$LINK: ChemOnt CHEMONTID:0001553; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000937.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000937.txt index fa02feaaebe..ccc271d0a8d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000937.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000937.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000937 -RECORD_TITLE: Glycyrrhetinic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Glycyrrhetinic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY MPDGHEJMBKOTSU-YKLVYJNSSA-N CH$LINK: COMPTOX DTXSID9020669 CH$LINK: ChemOnt CHEMONTID:0001553; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000938.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000938.txt index 76707f85678..07cfe9f9c80 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000938.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000938.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000938 -RECORD_TITLE: Ganciclovir; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Ganciclovir; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY IRSCQMHQWWYFCW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8041032 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000939.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000939.txt index cb451e4ec77..f70d28c1251 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000939.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000939.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000939 -RECORD_TITLE: Ganciclovir; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Ganciclovir; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY IRSCQMHQWWYFCW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8041032 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000940.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000940.txt index 813638bfbe8..c2854f53b83 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000940.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000940.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000940 -RECORD_TITLE: Ganciclovir; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Ganciclovir; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY IRSCQMHQWWYFCW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8041032 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000941.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000941.txt index 2d584d02d86..87dbe74b9e5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000941.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000941.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000941 -RECORD_TITLE: Ganciclovir; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Ganciclovir; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY IRSCQMHQWWYFCW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8041032 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000942.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000942.txt index d5b36799641..3ed3a31bf2d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000942.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000942.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000942 -RECORD_TITLE: Ganciclovir; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Ganciclovir; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY IRSCQMHQWWYFCW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8041032 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000943.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000943.txt index 597d73c9a80..a1c9f406344 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000943.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000943.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000943 -RECORD_TITLE: 2-Guanidinobenzimidazole; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2-Guanidinobenzimidazole; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JJWCTKUQWXYIIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6063858 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000944.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000944.txt index 7662cc5e779..f7a8f737ea4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000944.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000944.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000944 -RECORD_TITLE: 2-Guanidinobenzimidazole; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2-Guanidinobenzimidazole; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JJWCTKUQWXYIIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6063858 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000945.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000945.txt index 919fcbf0250..036fc5fd467 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000945.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000945.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000945 -RECORD_TITLE: 2-Guanidinobenzimidazole; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2-Guanidinobenzimidazole; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JJWCTKUQWXYIIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6063858 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000946.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000946.txt index 5863381ae9d..5de03280245 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000946.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000946.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000946 -RECORD_TITLE: 2-Guanidinobenzimidazole; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2-Guanidinobenzimidazole; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JJWCTKUQWXYIIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6063858 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000947.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000947.txt index 6f8da1c8cd9..a8776907871 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000947.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000947.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000947 -RECORD_TITLE: 2-Guanidinobenzimidazole; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 2-Guanidinobenzimidazole; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JJWCTKUQWXYIIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6063858 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000948.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000948.txt index 499397c8220..5d0a1afc4b0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000948.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000948.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000948 -RECORD_TITLE: Glucose 1-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Glucose 1-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-VFUOTHLCSA-N CH$LINK: COMPTOX DTXSID90889321 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000949.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000949.txt index 80970e9b0c3..3910a5b0480 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000949.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000949.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000949 -RECORD_TITLE: Glucose 1-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Glucose 1-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-VFUOTHLCSA-N CH$LINK: COMPTOX DTXSID90889321 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000950.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000950.txt index e3069423d32..e3d06fa2e36 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000950.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000950.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000950 -RECORD_TITLE: Glucose 1-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Glucose 1-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-VFUOTHLCSA-N CH$LINK: COMPTOX DTXSID90889321 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000951.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000951.txt index f28399d2852..6d5891bcfe8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000951.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000951.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000951 -RECORD_TITLE: Glucose 1-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Glucose 1-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-VFUOTHLCSA-N CH$LINK: COMPTOX DTXSID90889321 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000952.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000952.txt index 97809a48265..63a56b25b0a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000952.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000952.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000952 -RECORD_TITLE: Glucose 1-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Glucose 1-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-VFUOTHLCSA-N CH$LINK: COMPTOX DTXSID90889321 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000953.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000953.txt index 5a89c836fdc..2c7ff470c97 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000953.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000953.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000953 -RECORD_TITLE: TRH; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: TRH; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY XNSAINXGIQZQOO-SRVKXCTJSA-N CH$LINK: COMPTOX DTXSID0023533 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000954.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000954.txt index 2215a11f9b6..2cc5702bbd7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000954.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000954.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000954 -RECORD_TITLE: TRH; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: TRH; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY XNSAINXGIQZQOO-SRVKXCTJSA-N CH$LINK: COMPTOX DTXSID0023533 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000955.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000955.txt index 290781e7308..87d9c11dc03 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000955.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000955.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000955 -RECORD_TITLE: TRH; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: TRH; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY XNSAINXGIQZQOO-SRVKXCTJSA-N CH$LINK: COMPTOX DTXSID0023533 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000956.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000956.txt index 8cc07a9b4d9..df89b5df3bb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000956.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000956.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000956 -RECORD_TITLE: TRH; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: TRH; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY XNSAINXGIQZQOO-SRVKXCTJSA-N CH$LINK: COMPTOX DTXSID0023533 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000957.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000957.txt index 0188183e2f1..8db0eff906e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000957.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000957.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000957 -RECORD_TITLE: TRH; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: TRH; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY XNSAINXGIQZQOO-SRVKXCTJSA-N CH$LINK: COMPTOX DTXSID0023533 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000958.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000958.txt index 768af4d0eb2..2f8cb0ca765 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000958.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000958.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000958 -RECORD_TITLE: L-Histidine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-Histidine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY HNDVDQJCIGZPNO-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023126 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000959.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000959.txt index 6efb194711a..59ad72d7b20 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000959.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000959.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000959 -RECORD_TITLE: L-Histidine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-Histidine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY HNDVDQJCIGZPNO-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023126 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000960.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000960.txt index 5d2df05a28d..06c27364bd2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000960.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000960.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000960 -RECORD_TITLE: L-Histidine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-Histidine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY HNDVDQJCIGZPNO-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023126 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000961.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000961.txt index 242349a1bfa..8796473f6a7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000961.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000961.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000961 -RECORD_TITLE: L-Histidine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: L-Histidine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY HNDVDQJCIGZPNO-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023126 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000962.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000962.txt index 86bb3d56a7e..232eab6ce5c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000962.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000962.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000962 -RECORD_TITLE: L-Histidine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: L-Histidine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY HNDVDQJCIGZPNO-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023126 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000963.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000963.txt index 4123c030e38..9d3a68074c9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000963.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000963.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000963 -RECORD_TITLE: 4-Hydroxybenzoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 4-Hydroxybenzoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY FJKROLUGYXJWQN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3026647 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000964.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000964.txt index 4adbbb21e7a..6a3fe867b9e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000964.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000964.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000964 -RECORD_TITLE: 4-Hydroxybenzoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 4-Hydroxybenzoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY FJKROLUGYXJWQN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3026647 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000965.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000965.txt index eb2936c7a17..b1d5f67a6f5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000965.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000965.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000965 -RECORD_TITLE: 4-Hydroxybenzoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 4-Hydroxybenzoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY FJKROLUGYXJWQN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3026647 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000966.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000966.txt index 85e17761da9..d9a433b0e6d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000966.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000966.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000966 -RECORD_TITLE: 4-Hydroxybenzoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 4-Hydroxybenzoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY FJKROLUGYXJWQN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3026647 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000967.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000967.txt index d73df069e14..60a7a051979 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000967.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000967.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000967 -RECORD_TITLE: 4-Hydroxybenzoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 4-Hydroxybenzoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY FJKROLUGYXJWQN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3026647 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000968.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000968.txt index f463cdbd0a7..257edab2f3e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000968.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000968.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000968 -RECORD_TITLE: 4-Hydroxyphenylacetic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 4-Hydroxyphenylacetic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY XQXPVVBIMDBYFF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5059745 CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000969.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000969.txt index 2d33d03b9db..3e07b62c30f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000969.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000969.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000969 -RECORD_TITLE: 4-Hydroxyphenylacetic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 4-Hydroxyphenylacetic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY XQXPVVBIMDBYFF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5059745 CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000970.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000970.txt index 0a8bd54d61f..e4213a6da55 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000970.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000970.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000970 -RECORD_TITLE: 4-Hydroxyphenylacetic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 4-Hydroxyphenylacetic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY XQXPVVBIMDBYFF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5059745 CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000971.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000971.txt index 3d30721f1de..5ab6f14e10c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000971.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000971.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000971 -RECORD_TITLE: 4-Hydroxyphenylacetic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 4-Hydroxyphenylacetic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY XQXPVVBIMDBYFF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5059745 CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000972.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000972.txt index 1d0bb2349f7..48020fc5abf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000972.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000972.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000972 -RECORD_TITLE: 4-Hydroxyphenylacetic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 4-Hydroxyphenylacetic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY XQXPVVBIMDBYFF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5059745 CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000973.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000973.txt index 50e143d91d9..feaa978942d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000973.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000973.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000973 -RECORD_TITLE: 4-Hydroxyphenylpyruvic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 4-Hydroxyphenylpyruvic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY KKADPXVIOXHVKN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80166017 CH$LINK: ChemOnt CHEMONTID:0001276; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpyruvic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000974.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000974.txt index f417db1719b..ac044869315 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000974.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000974.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000974 -RECORD_TITLE: 4-Hydroxyphenylpyruvic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 4-Hydroxyphenylpyruvic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY KKADPXVIOXHVKN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80166017 CH$LINK: ChemOnt CHEMONTID:0001276; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpyruvic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000975.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000975.txt index 7ab582f3fe6..914494d8b31 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000975.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000975.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000975 -RECORD_TITLE: 4-Hydroxyphenylpyruvic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 4-Hydroxyphenylpyruvic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY KKADPXVIOXHVKN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80166017 CH$LINK: ChemOnt CHEMONTID:0001276; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpyruvic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000976.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000976.txt index 47ac916809e..2124c4a69d2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000976.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000976.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000976 -RECORD_TITLE: 4-Hydroxyphenylpyruvic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 4-Hydroxyphenylpyruvic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY KKADPXVIOXHVKN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80166017 CH$LINK: ChemOnt CHEMONTID:0001276; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpyruvic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000977.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000977.txt index 2e0508e8d70..29b8a8fa071 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000977.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000977.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000977 -RECORD_TITLE: 4-Hydroxyphenylpyruvic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 4-Hydroxyphenylpyruvic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY KKADPXVIOXHVKN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80166017 CH$LINK: ChemOnt CHEMONTID:0001276; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpyruvic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000978.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000978.txt index cc2cf662811..5318670890f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000978.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000978.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000978 -RECORD_TITLE: L-Homocarnosine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-Homocarnosine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CCLQKVKJOGVQLU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID50942461 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000979.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000979.txt index 2ca95475531..a681b7af40d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000979.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000979.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000979 -RECORD_TITLE: L-Homocarnosine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-Homocarnosine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CCLQKVKJOGVQLU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID50942461 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000980.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000980.txt index 42ee9df0e5e..b74acb752ff 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000980.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000980.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000980 -RECORD_TITLE: L-Homocarnosine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-Homocarnosine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CCLQKVKJOGVQLU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID50942461 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000981.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000981.txt index 9006b3a63be..d77b22559aa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000981.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000981.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000981 -RECORD_TITLE: L-Homocarnosine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: L-Homocarnosine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CCLQKVKJOGVQLU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID50942461 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000982.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000982.txt index a9bcb28b03a..be0a810fe9d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000982.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000982.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000982 -RECORD_TITLE: L-Homocarnosine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: L-Homocarnosine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CCLQKVKJOGVQLU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID50942461 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000983.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000983.txt index 547b3777c2e..f934a6f7d85 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000983.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000983.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000983 -RECORD_TITLE: Hypoxanthine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Hypoxanthine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045983 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000984.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000984.txt index 330f44fc771..4888e462a62 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000984.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000984.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000984 -RECORD_TITLE: Hypoxanthine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Hypoxanthine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045983 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000985.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000985.txt index 137d71bd1fb..5bfa45c68a1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000985.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000985.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000985 -RECORD_TITLE: Hypoxanthine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Hypoxanthine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045983 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000986.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000986.txt index d27b2d0f122..4512fe956d5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000986.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000986.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000986 -RECORD_TITLE: Hypoxanthine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Hypoxanthine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045983 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000987.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000987.txt index 9b792e7309f..4d8ba81a6c6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000987.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000987.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000987 -RECORD_TITLE: Hypoxanthine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Hypoxanthine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045983 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000988.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000988.txt index f056e1e8d24..a7077b8201d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000988.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000988.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000988 -RECORD_TITLE: 6-Hydroxynicotinic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 6-Hydroxynicotinic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY BLHCMGRVFXRYRN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0057754 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000989.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000989.txt index dc16d9059a1..abf88f5f381 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000989.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000989.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000989 -RECORD_TITLE: 6-Hydroxynicotinic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 6-Hydroxynicotinic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY BLHCMGRVFXRYRN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0057754 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000990.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000990.txt index 74cd1077d64..388c5ca4038 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000990.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000990.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000990 -RECORD_TITLE: 6-Hydroxynicotinic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 6-Hydroxynicotinic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY BLHCMGRVFXRYRN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0057754 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000991.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000991.txt index 42a2e34357c..068d6448823 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000991.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000991.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000991 -RECORD_TITLE: 6-Hydroxynicotinic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 6-Hydroxynicotinic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY BLHCMGRVFXRYRN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0057754 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000992.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000992.txt index 58debbc6560..aecb646205d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000992.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000992.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000992 -RECORD_TITLE: 6-Hydroxynicotinic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 6-Hydroxynicotinic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY BLHCMGRVFXRYRN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0057754 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000993.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000993.txt index 71a8fee4e92..a0f54420f17 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000993.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000993.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000993 -RECORD_TITLE: Hypotaurine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Hypotaurine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY VVIUBCNYACGLLV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075380 CH$LINK: ChemOnt CHEMONTID:0001269; Organic compounds; Organic acids and derivatives; Sulfinic acids and derivatives; Sulfinic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000994.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000994.txt index 218c604a1d7..d9d1a11d0ef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000994.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000994.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000994 -RECORD_TITLE: Hypotaurine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Hypotaurine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY VVIUBCNYACGLLV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075380 CH$LINK: ChemOnt CHEMONTID:0001269; Organic compounds; Organic acids and derivatives; Sulfinic acids and derivatives; Sulfinic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000995.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000995.txt index 8cf66ed55cc..cdfa4d7e00a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000995.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000995.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000995 -RECORD_TITLE: Hypotaurine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Hypotaurine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY VVIUBCNYACGLLV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075380 CH$LINK: ChemOnt CHEMONTID:0001269; Organic compounds; Organic acids and derivatives; Sulfinic acids and derivatives; Sulfinic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000996.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000996.txt index 156e1eac23d..0104e728473 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000996.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000996.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000996 -RECORD_TITLE: Hypotaurine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Hypotaurine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY VVIUBCNYACGLLV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075380 CH$LINK: ChemOnt CHEMONTID:0001269; Organic compounds; Organic acids and derivatives; Sulfinic acids and derivatives; Sulfinic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000997.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000997.txt index dc3da8136e9..2e156c28333 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000997.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000997.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000997 -RECORD_TITLE: Hypotaurine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Hypotaurine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY VVIUBCNYACGLLV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075380 CH$LINK: ChemOnt CHEMONTID:0001269; Organic compounds; Organic acids and derivatives; Sulfinic acids and derivatives; Sulfinic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000998.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000998.txt index 35d2598a487..31251c3918f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000998.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000998.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000998 -RECORD_TITLE: m-Hydroxybenzoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: m-Hydroxybenzoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY IJFXRHURBJZNAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021610 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO000999.txt b/Keio_Univ/MSBNK-Keio_Univ-KO000999.txt index 407b83d2a24..4a150600188 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO000999.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO000999.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO000999 -RECORD_TITLE: m-Hydroxybenzoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: m-Hydroxybenzoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY IJFXRHURBJZNAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021610 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001000.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001000.txt index 0f79a30b1d3..ffb0d82c0d3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001000.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001000.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001000 -RECORD_TITLE: m-Hydroxybenzoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: m-Hydroxybenzoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY IJFXRHURBJZNAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021610 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001001.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001001.txt index 473a0506d98..02ff0b25081 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001001.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001001 -RECORD_TITLE: m-Hydroxybenzoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: m-Hydroxybenzoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY IJFXRHURBJZNAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021610 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001002.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001002.txt index c54145efc61..bcdbe722115 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001002.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001002 -RECORD_TITLE: m-Hydroxybenzoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: m-Hydroxybenzoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY IJFXRHURBJZNAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021610 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001003.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001003.txt index 90ae68c479d..2b1b6c42e82 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001003.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001003 -RECORD_TITLE: Salicylic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Salicylic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY YGSDEFSMJLZEOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7026368 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001004.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001004.txt index 986db34aed0..b806a14bc06 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001004.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001004 -RECORD_TITLE: Salicylic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Salicylic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY YGSDEFSMJLZEOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7026368 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001005.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001005.txt index 76e5721a0f8..26c5580cf7d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001005.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001005 -RECORD_TITLE: Salicylic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Salicylic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY YGSDEFSMJLZEOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7026368 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001006.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001006.txt index 7530ce7ce6e..17b0bf63e05 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001006.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001006.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001006 -RECORD_TITLE: Salicylic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Salicylic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY YGSDEFSMJLZEOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7026368 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001007.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001007.txt index 1e819053996..3507fbb5316 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001007.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001007 -RECORD_TITLE: Salicylic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Salicylic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY YGSDEFSMJLZEOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7026368 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001008.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001008.txt index a043098acae..d4ea7443fb4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001008.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001008 -RECORD_TITLE: beta-Hydroxybutyric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: beta-Hydroxybutyric acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WHBMMWSBFZVSSR-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID3041829 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001009.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001009.txt index 3a035947cb8..85002311455 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001009.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001009 -RECORD_TITLE: beta-Hydroxybutyric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: beta-Hydroxybutyric acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WHBMMWSBFZVSSR-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID3041829 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001010.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001010.txt index 0c9d5569bdc..1165f3bf86e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001010.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001010.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001010 -RECORD_TITLE: beta-Hydroxybutyric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: beta-Hydroxybutyric acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WHBMMWSBFZVSSR-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID3041829 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001011.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001011.txt index da4b6fab742..2b8952eb858 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001011.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001011.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001011 -RECORD_TITLE: beta-Hydroxybutyric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: beta-Hydroxybutyric acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WHBMMWSBFZVSSR-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID3041829 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001012.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001012.txt index 5717569a7b3..5c8b1d0ae6b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001012.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001012.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001012 -RECORD_TITLE: beta-Hydroxybutyric acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: beta-Hydroxybutyric acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WHBMMWSBFZVSSR-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID3041829 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001013.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001013.txt index 8aaf78d2b2e..c38227955fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001013.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001013.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001013 -RECORD_TITLE: 2-Hydroxyisobutyric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2-Hydroxyisobutyric acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BWLBGMIXKSTLSX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4032954 CH$LINK: ChemOnt CHEMONTID:0001359; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Alpha hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001014.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001014.txt index 3656b6a844c..e3d79a30658 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001014.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001014.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001014 -RECORD_TITLE: 2-Hydroxyisobutyric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2-Hydroxyisobutyric acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BWLBGMIXKSTLSX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4032954 CH$LINK: ChemOnt CHEMONTID:0001359; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Alpha hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001015.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001015.txt index 462133634bd..3afca07873a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001015.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001015.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001015 -RECORD_TITLE: 2-Hydroxyisobutyric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2-Hydroxyisobutyric acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BWLBGMIXKSTLSX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4032954 CH$LINK: ChemOnt CHEMONTID:0001359; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Alpha hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001016.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001016.txt index c282e585bfa..3a1239884f1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001016.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001016.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001016 -RECORD_TITLE: 2-Hydroxyisobutyric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2-Hydroxyisobutyric acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BWLBGMIXKSTLSX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4032954 CH$LINK: ChemOnt CHEMONTID:0001359; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Alpha hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001017.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001017.txt index 1b74cfe1066..915f677f456 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001017.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001017.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001017 -RECORD_TITLE: 2-Hydroxyisobutyric acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 2-Hydroxyisobutyric acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BWLBGMIXKSTLSX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4032954 CH$LINK: ChemOnt CHEMONTID:0001359; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Alpha hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001018.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001018.txt index 332549f9e3d..7784223e16e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001018.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001018.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001018 -RECORD_TITLE: Harmaline; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Harmaline; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:3564 CH$LINK: INCHIKEY RERZNCLIYCABFS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001140; Organic compounds; Alkaloids and derivatives; Harmala alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001019.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001019.txt index d91ff0c2812..0cfe276a653 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001019.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001019.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001019 -RECORD_TITLE: Harmaline; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Harmaline; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:3564 CH$LINK: INCHIKEY RERZNCLIYCABFS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001140; Organic compounds; Alkaloids and derivatives; Harmala alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001020.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001020.txt index bb636d132b7..8344cd4851e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001020.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001020.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001020 -RECORD_TITLE: Harmaline; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Harmaline; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:3564 CH$LINK: INCHIKEY RERZNCLIYCABFS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001140; Organic compounds; Alkaloids and derivatives; Harmala alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001021.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001021.txt index 56db55e1f58..2c30cdd552e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001021.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001021.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001021 -RECORD_TITLE: Harmaline; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Harmaline; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:3564 CH$LINK: INCHIKEY RERZNCLIYCABFS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001140; Organic compounds; Alkaloids and derivatives; Harmala alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001022.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001022.txt index a04b6532e50..685d9e4355e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001022.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001022.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001022 -RECORD_TITLE: Harmaline; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Harmaline; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:3564 CH$LINK: INCHIKEY RERZNCLIYCABFS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001140; Organic compounds; Alkaloids and derivatives; Harmala alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001023.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001023.txt index ba208920a61..97744aeedcb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001023.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001023.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001023 -RECORD_TITLE: 2-Hydroxyhippuric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2-Hydroxyhippuric acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ONJSZLXSECQROL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70197592 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001024.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001024.txt index f1113716d6c..bf34e002c65 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001024.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001024.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001024 -RECORD_TITLE: 2-Hydroxyhippuric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2-Hydroxyhippuric acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ONJSZLXSECQROL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70197592 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001025.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001025.txt index cec86ea7c74..803af391499 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001025.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001025.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001025 -RECORD_TITLE: 2-Hydroxyhippuric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2-Hydroxyhippuric acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ONJSZLXSECQROL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70197592 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001026.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001026.txt index 057c31e471b..9e38bc51e74 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001026.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001026.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001026 -RECORD_TITLE: 2-Hydroxyhippuric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2-Hydroxyhippuric acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ONJSZLXSECQROL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70197592 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001027.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001027.txt index c20fd9c786b..7249cad4aea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001027.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001027.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001027 -RECORD_TITLE: 2-Hydroxyhippuric acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 2-Hydroxyhippuric acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ONJSZLXSECQROL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70197592 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001028.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001028.txt index 387aa4c7359..19a802d8944 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001028.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001028.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001028 -RECORD_TITLE: Harman; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Harman; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PSFDQSOCUJVVGF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80197568 CH$LINK: ChemOnt CHEMONTID:0001140; Organic compounds; Alkaloids and derivatives; Harmala alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001029.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001029.txt index 98585d34389..63ad73caf12 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001029.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001029.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001029 -RECORD_TITLE: Harman; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Harman; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PSFDQSOCUJVVGF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80197568 CH$LINK: ChemOnt CHEMONTID:0001140; Organic compounds; Alkaloids and derivatives; Harmala alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001030.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001030.txt index 2d6d540b44e..72ef3e6b347 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001030.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001030.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001030 -RECORD_TITLE: Harman; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Harman; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PSFDQSOCUJVVGF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80197568 CH$LINK: ChemOnt CHEMONTID:0001140; Organic compounds; Alkaloids and derivatives; Harmala alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001031.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001031.txt index 79832b5371b..35537ca5e89 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001031.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001031.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001031 -RECORD_TITLE: Harman; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Harman; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PSFDQSOCUJVVGF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80197568 CH$LINK: ChemOnt CHEMONTID:0001140; Organic compounds; Alkaloids and derivatives; Harmala alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001032.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001032.txt index c1888cd9080..85d36ecd4b6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001032.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001032.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001032 -RECORD_TITLE: Harman; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Harman; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PSFDQSOCUJVVGF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80197568 CH$LINK: ChemOnt CHEMONTID:0001140; Organic compounds; Alkaloids and derivatives; Harmala alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001033.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001033.txt index a24277b641c..ecdcf3ad675 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001033.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001033.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001033 -RECORD_TITLE: Heptanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Heptanoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY MNWFXJYAOYHMED-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021600 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001034.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001034.txt index 2fdfe1e848a..50e9e338af7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001034.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001034.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001034 -RECORD_TITLE: Heptanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Heptanoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY MNWFXJYAOYHMED-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021600 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001035.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001035.txt index a78ba7286a4..98c08c62f7a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001035.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001035.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001035 -RECORD_TITLE: Heptanoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Heptanoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY MNWFXJYAOYHMED-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021600 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001036.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001036.txt index ae642d76c2b..c8c73d58d55 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001036.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001036.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001036 -RECORD_TITLE: Heptanoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Heptanoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY MNWFXJYAOYHMED-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021600 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001037.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001037.txt index 259ca3882f6..e7d3924218e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001037.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001037.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001037 -RECORD_TITLE: 8-Hydroxyoctanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 8-Hydroxyoctanoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY KDMSVYIHKLZKET-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40227234 CH$LINK: ChemOnt CHEMONTID:0000299; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Medium-chain hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001038.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001038.txt index dcd0dd1a2e9..e18f03fd8e1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001038.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001038.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001038 -RECORD_TITLE: 8-Hydroxyoctanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 8-Hydroxyoctanoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY KDMSVYIHKLZKET-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40227234 CH$LINK: ChemOnt CHEMONTID:0000299; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Medium-chain hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001039.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001039.txt index 27346b9b371..3575dd9c333 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001039.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001039.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001039 -RECORD_TITLE: 8-Hydroxyoctanoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 8-Hydroxyoctanoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY KDMSVYIHKLZKET-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40227234 CH$LINK: ChemOnt CHEMONTID:0000299; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Medium-chain hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001040.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001040.txt index f25830d46a2..4e23022d960 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001040.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001040.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001040 -RECORD_TITLE: 8-Hydroxyoctanoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 8-Hydroxyoctanoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY KDMSVYIHKLZKET-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40227234 CH$LINK: ChemOnt CHEMONTID:0000299; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Medium-chain hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001041.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001041.txt index ee8130c7d46..e11c09d5dab 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001041.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001041.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001041 -RECORD_TITLE: 8-Hydroxyoctanoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 8-Hydroxyoctanoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY KDMSVYIHKLZKET-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40227234 CH$LINK: ChemOnt CHEMONTID:0000299; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Medium-chain hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001042.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001042.txt index abbef911f83..c7e7fb9e5b5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001042.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001042.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001042 -RECORD_TITLE: 2-Hydroxyoctanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2-Hydroxyoctanoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JKRDADVRIYVCCY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80862300 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001043.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001043.txt index 463b15bc4db..757a5638f24 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001043.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001043.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001043 -RECORD_TITLE: 2-Hydroxyoctanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2-Hydroxyoctanoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JKRDADVRIYVCCY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80862300 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001044.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001044.txt index fcf27116ecb..5c982f0a17a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001044.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001044.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001044 -RECORD_TITLE: 2-Hydroxyoctanoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2-Hydroxyoctanoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JKRDADVRIYVCCY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80862300 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001045.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001045.txt index 7ff271118fc..d5d0ed49a34 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001045.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001045.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001045 -RECORD_TITLE: 2-Hydroxyoctanoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2-Hydroxyoctanoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JKRDADVRIYVCCY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80862300 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001046.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001046.txt index 97411d32ab3..fdcb0bf8397 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001046.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001046.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001046 -RECORD_TITLE: 2-Hydroxyoctanoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 2-Hydroxyoctanoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JKRDADVRIYVCCY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80862300 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001047.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001047.txt index 4b3898779ae..72da58675db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001047.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001047.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001047 -RECORD_TITLE: 2-Hydroxyhexanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2-Hydroxyhexanoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:99824 CH$LINK: INCHIKEY NYHNVHGFPZAZGA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001048.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001048.txt index 6786ed5bdbe..0fa488b7513 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001048.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001048.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001048 -RECORD_TITLE: 2-Hydroxyhexanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2-Hydroxyhexanoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:99824 CH$LINK: INCHIKEY NYHNVHGFPZAZGA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001049.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001049.txt index c10eaf6ef19..3310ed4a85e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001049.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001049.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001049 -RECORD_TITLE: 2-Hydroxyhexanoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2-Hydroxyhexanoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:99824 CH$LINK: INCHIKEY NYHNVHGFPZAZGA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001050.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001050.txt index b052bd6e344..36094550a11 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001050.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001050.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001050 -RECORD_TITLE: 2-Hydroxyhexanoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2-Hydroxyhexanoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:99824 CH$LINK: INCHIKEY NYHNVHGFPZAZGA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001051.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001051.txt index 6482783f37b..c8907e78934 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001051.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001051.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001051 -RECORD_TITLE: 2-Hydroxyhexanoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 2-Hydroxyhexanoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:99824 CH$LINK: INCHIKEY NYHNVHGFPZAZGA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001052.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001052.txt index 4862041ffce..7942090e6db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001052.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001052.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001052 -RECORD_TITLE: DL-Homocystine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: DL-Homocystine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:439579 CH$LINK: INCHIKEY ZTVZLYBCZNMWCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001053.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001053.txt index 742788e3d36..f58d7ec4b0c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001053.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001053.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001053 -RECORD_TITLE: DL-Homocystine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: DL-Homocystine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:439579 CH$LINK: INCHIKEY ZTVZLYBCZNMWCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001054.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001054.txt index fc5c9f155f7..e8f0fd4fe88 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001054.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001054.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001054 -RECORD_TITLE: DL-Homocystine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: DL-Homocystine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:439579 CH$LINK: INCHIKEY ZTVZLYBCZNMWCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001055.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001055.txt index f799d394d01..2f711358669 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001055.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001055.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001055 -RECORD_TITLE: DL-Homocystine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: DL-Homocystine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:439579 CH$LINK: INCHIKEY ZTVZLYBCZNMWCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001056.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001056.txt index abf7b046aff..e2cc5500636 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001056.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001056.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001056 -RECORD_TITLE: DL-Homocystine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: DL-Homocystine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:439579 CH$LINK: INCHIKEY ZTVZLYBCZNMWCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001057.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001057.txt index 9893dfe0b37..1ea6536d466 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001057.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001057.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001057 -RECORD_TITLE: cis-4-Hydroxyproline; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: cis-4-Hydroxyproline; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PMMYEEVYMWASQN-QWWZWVQMSA-N CH$LINK: COMPTOX DTXSID20180494 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001058.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001058.txt index 91e57aaf5bd..1adafeb3e98 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001058.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001058.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001058 -RECORD_TITLE: cis-4-Hydroxyproline; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: cis-4-Hydroxyproline; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PMMYEEVYMWASQN-QWWZWVQMSA-N CH$LINK: COMPTOX DTXSID20180494 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001059.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001059.txt index b840e89f0cb..05f91659131 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001059.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001059.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001059 -RECORD_TITLE: cis-4-Hydroxyproline; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: cis-4-Hydroxyproline; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PMMYEEVYMWASQN-QWWZWVQMSA-N CH$LINK: COMPTOX DTXSID20180494 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001060.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001060.txt index 0f5e795cc79..f50eecfb0cc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001060.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001060.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001060 -RECORD_TITLE: cis-4-Hydroxyproline; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: cis-4-Hydroxyproline; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PMMYEEVYMWASQN-QWWZWVQMSA-N CH$LINK: COMPTOX DTXSID20180494 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001061.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001061.txt index af64779106d..aa834238fd6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001061.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001061.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001061 -RECORD_TITLE: DL-4-Hydroxy-3-methoxymandelic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: DL-4-Hydroxy-3-methoxymandelic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY CGQCWMIAEPEHNQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10861583 CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001062.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001062.txt index 89ecae3e6ba..40331e4b797 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001062.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001062.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001062 -RECORD_TITLE: DL-4-Hydroxy-3-methoxymandelic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: DL-4-Hydroxy-3-methoxymandelic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY CGQCWMIAEPEHNQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10861583 CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001063.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001063.txt index 76590339fe2..3b1db3a3cbd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001063.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001063.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001063 -RECORD_TITLE: DL-4-Hydroxy-3-methoxymandelic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: DL-4-Hydroxy-3-methoxymandelic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY CGQCWMIAEPEHNQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10861583 CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001064.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001064.txt index 40fb156199d..715cfc4d78d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001064.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001064.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001064 -RECORD_TITLE: DL-4-Hydroxy-3-methoxymandelic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: DL-4-Hydroxy-3-methoxymandelic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY CGQCWMIAEPEHNQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10861583 CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001065.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001065.txt index 8b2e042b1f8..e758a841663 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001065.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001065.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001065 -RECORD_TITLE: DL-4-Hydroxy-3-methoxymandelic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: DL-4-Hydroxy-3-methoxymandelic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY CGQCWMIAEPEHNQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10861583 CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001066.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001066.txt index de977143a45..c29357d8070 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001066.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001066.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001066 -RECORD_TITLE: 5-Hydroxyindoleacetic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 5-Hydroxyindoleacetic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50861582 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001067.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001067.txt index ed077f93b8b..017307f4841 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001067.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001067.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001067 -RECORD_TITLE: 5-Hydroxyindoleacetic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 5-Hydroxyindoleacetic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50861582 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001068.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001068.txt index 2a87d0f7d61..2db26bbc2ae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001068.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001068.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001068 -RECORD_TITLE: 5-Hydroxyindoleacetic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 5-Hydroxyindoleacetic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50861582 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001069.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001069.txt index b96b8e611d6..10948c276a4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001069.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001069.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001069 -RECORD_TITLE: 5-Hydroxyindoleacetic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 5-Hydroxyindoleacetic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50861582 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001070.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001070.txt index 63bf3831afc..5c7aadf8d45 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001070.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001070.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001070 -RECORD_TITLE: 5-Hydroxyindoleacetic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 5-Hydroxyindoleacetic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50861582 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001071.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001071.txt index b3a27f63bb5..e33ccdd1340 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001071.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001071.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001071 -RECORD_TITLE: Homovanillic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Homovanillic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY QRMZSPFSDQBLIX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5059791 CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001072.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001072.txt index 525c732d05b..546cc23f081 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001072.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001072.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001072 -RECORD_TITLE: Homovanillic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Homovanillic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY QRMZSPFSDQBLIX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5059791 CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001073.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001073.txt index a3121b04f6d..15808d6926e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001073.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001073.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001073 -RECORD_TITLE: Homovanillic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Homovanillic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY QRMZSPFSDQBLIX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5059791 CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001074.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001074.txt index 41e8f6ee878..b65e136f94f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001074.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001074.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001074 -RECORD_TITLE: Homovanillic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Homovanillic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY QRMZSPFSDQBLIX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5059791 CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001075.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001075.txt index 44aed44ab7f..50f4697d467 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001075.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001075.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001075 -RECORD_TITLE: Homovanillic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Homovanillic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY QRMZSPFSDQBLIX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5059791 CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001076.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001076.txt index cdcd5b8b409..7d96749abfa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001076.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001076.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001076 -RECORD_TITLE: Homogentisic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Homogentisic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY IGMNYECMUMZDDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1060005 CH$LINK: ChemOnt CHEMONTID:0000418; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001077.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001077.txt index 61674ad2624..e21ada134d4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001077.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001077.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001077 -RECORD_TITLE: Homogentisic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Homogentisic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY IGMNYECMUMZDDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1060005 CH$LINK: ChemOnt CHEMONTID:0000418; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001078.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001078.txt index f8723416bdd..5ee0789ee9a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001078.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001078.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001078 -RECORD_TITLE: Homogentisic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Homogentisic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY IGMNYECMUMZDDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1060005 CH$LINK: ChemOnt CHEMONTID:0000418; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001079.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001079.txt index f80551fc41b..637c62bfb29 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001079.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001079.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001079 -RECORD_TITLE: Homogentisic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Homogentisic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY IGMNYECMUMZDDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1060005 CH$LINK: ChemOnt CHEMONTID:0000418; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001080.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001080.txt index 22fbbabb888..b8725034c88 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001080.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001080.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001080 -RECORD_TITLE: Homogentisic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Homogentisic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY IGMNYECMUMZDDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1060005 CH$LINK: ChemOnt CHEMONTID:0000418; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001081.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001081.txt index 52cc9302f86..40a67f3cb2f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001081.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001081.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001081 -RECORD_TITLE: 6-Hydroxyhexanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 6-Hydroxyhexanoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IWHLYPDWHHPVAA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00152316 CH$LINK: ChemOnt CHEMONTID:0000299; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Medium-chain hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001082.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001082.txt index 5fce51ac33e..e5916e1b96b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001082.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001082.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001082 -RECORD_TITLE: 6-Hydroxyhexanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 6-Hydroxyhexanoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IWHLYPDWHHPVAA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00152316 CH$LINK: ChemOnt CHEMONTID:0000299; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Medium-chain hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001083.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001083.txt index f52c059f0ca..4db0c80fc32 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001083.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001083.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001083 -RECORD_TITLE: 6-Hydroxyhexanoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 6-Hydroxyhexanoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IWHLYPDWHHPVAA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00152316 CH$LINK: ChemOnt CHEMONTID:0000299; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Medium-chain hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001084.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001084.txt index 1c6a54b7289..d71b124a116 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001084.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001084.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001084 -RECORD_TITLE: 6-Hydroxyhexanoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 6-Hydroxyhexanoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IWHLYPDWHHPVAA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00152316 CH$LINK: ChemOnt CHEMONTID:0000299; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Medium-chain hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001085.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001085.txt index 80f049d824f..15bbd1b7f49 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001085.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001085.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001085 -RECORD_TITLE: 6-Hydroxyhexanoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 6-Hydroxyhexanoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IWHLYPDWHHPVAA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00152316 CH$LINK: ChemOnt CHEMONTID:0000299; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Medium-chain hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001086.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001086.txt index 488d7196d1c..84f9ab89e78 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001086.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001086.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001086 -RECORD_TITLE: 5-Hydroxylysine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 5-Hydroxylysine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:3032849 CH$LINK: INCHIKEY YSMODUONRAFBET-UHNVWZDZSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001087.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001087.txt index 2b711b363cd..04a00d61153 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001087.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001087.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001087 -RECORD_TITLE: 5-Hydroxylysine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 5-Hydroxylysine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:3032849 CH$LINK: INCHIKEY YSMODUONRAFBET-UHNVWZDZSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001088.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001088.txt index a009e8a22ef..ab12afb2601 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001088.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001088.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001088 -RECORD_TITLE: 5-Hydroxylysine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 5-Hydroxylysine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:3032849 CH$LINK: INCHIKEY YSMODUONRAFBET-UHNVWZDZSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001089.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001089.txt index 735c93901bc..0c60dd5693d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001089.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001089.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001089 -RECORD_TITLE: 5-Hydroxylysine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 5-Hydroxylysine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:3032849 CH$LINK: INCHIKEY YSMODUONRAFBET-UHNVWZDZSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001090.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001090.txt index 4ae6b0096b5..04b2021d6bc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001090.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001090.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001090 -RECORD_TITLE: 5-Hydroxylysine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 5-Hydroxylysine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:3032849 CH$LINK: INCHIKEY YSMODUONRAFBET-UHNVWZDZSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001091.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001091.txt index a8dbb4193f4..5748ebc5b5b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001091.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001091.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001091 -RECORD_TITLE: Hippuric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Hippuric acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY QIAFMBKCNZACKA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9046073 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001092.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001092.txt index b213b9d75e7..95ea6d0b8c8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001092.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001092.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001092 -RECORD_TITLE: Hippuric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Hippuric acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY QIAFMBKCNZACKA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9046073 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001093.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001093.txt index 81da0a35c09..dc50791739e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001093.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001093.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001093 -RECORD_TITLE: Hippuric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Hippuric acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY QIAFMBKCNZACKA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9046073 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001094.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001094.txt index f07f91c9efc..1096520a649 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001094.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001094.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001094 -RECORD_TITLE: Hippuric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Hippuric acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY QIAFMBKCNZACKA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9046073 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001095.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001095.txt index d14e07e0c9b..0f48b4eb334 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001095.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001095.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001095 -RECORD_TITLE: Hippuric acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Hippuric acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY QIAFMBKCNZACKA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9046073 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001096.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001096.txt index 8d96b220c7a..2650969cf86 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001096.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001096.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001096 -RECORD_TITLE: 3-(4-Hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 3-(4-Hydroxyphenyl)propionic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY NMHMNPHRMNGLLB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075427 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001097.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001097.txt index 2d960ec91a7..eb7a3603cfb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001097.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001097.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001097 -RECORD_TITLE: 3-(4-Hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 3-(4-Hydroxyphenyl)propionic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY NMHMNPHRMNGLLB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075427 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001098.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001098.txt index 6fd7e4646ca..f33ebaf48ec 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001098.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001098.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001098 -RECORD_TITLE: 3-(4-Hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 3-(4-Hydroxyphenyl)propionic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY NMHMNPHRMNGLLB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075427 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001099.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001099.txt index a638841357f..ad3ff95de66 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001099.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001099.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001099 -RECORD_TITLE: 3-(4-Hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 3-(4-Hydroxyphenyl)propionic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY NMHMNPHRMNGLLB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075427 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001100.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001100.txt index 87d2ee75771..b2374bcc626 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001100.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001100.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001100 -RECORD_TITLE: 3-(4-Hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 3-(4-Hydroxyphenyl)propionic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY NMHMNPHRMNGLLB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075427 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001101.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001101.txt index d02db9a014c..2aa73e70e60 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001101.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001101 -RECORD_TITLE: Homoarginine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Homoarginine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QUOGESRFPZDMMT-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70926980 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001102.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001102.txt index f6f740290ed..d23f39befa0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001102.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001102 -RECORD_TITLE: Homoarginine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Homoarginine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QUOGESRFPZDMMT-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70926980 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001103.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001103.txt index 5d42f60a3b5..4144aa7c8f9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001103.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001103 -RECORD_TITLE: Homoarginine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Homoarginine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QUOGESRFPZDMMT-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70926980 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001104.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001104.txt index 12c4d9e6192..3d0a868e552 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001104.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001104 -RECORD_TITLE: Homoarginine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Homoarginine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QUOGESRFPZDMMT-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70926980 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001105.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001105.txt index fedffccbe2f..9f18e570838 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001105.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001105 -RECORD_TITLE: Homoarginine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Homoarginine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QUOGESRFPZDMMT-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70926980 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001106.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001106.txt index 4b47ecddb86..d46b69a93ea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001106.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001106 -RECORD_TITLE: trans-4-Hydroxy-3-methoxycinnamate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: trans-4-Hydroxy-3-methoxycinnamate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KSEBMYQBYZTDHS-HWKANZROSA-N CH$LINK: COMPTOX DTXSID70892035 CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001107.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001107.txt index 5b995905652..70ba8f97cae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001107.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001107 -RECORD_TITLE: trans-4-Hydroxy-3-methoxycinnamate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: trans-4-Hydroxy-3-methoxycinnamate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KSEBMYQBYZTDHS-HWKANZROSA-N CH$LINK: COMPTOX DTXSID70892035 CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001108.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001108.txt index 406eb5510e6..05e09f3873b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001108.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001108 -RECORD_TITLE: trans-4-Hydroxy-3-methoxycinnamate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: trans-4-Hydroxy-3-methoxycinnamate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KSEBMYQBYZTDHS-HWKANZROSA-N CH$LINK: COMPTOX DTXSID70892035 CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001109.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001109.txt index 1a474699462..e2ba2de2077 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001109.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001109 -RECORD_TITLE: trans-4-Hydroxy-3-methoxycinnamate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: trans-4-Hydroxy-3-methoxycinnamate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KSEBMYQBYZTDHS-HWKANZROSA-N CH$LINK: COMPTOX DTXSID70892035 CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001110.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001110.txt index ccf68c53a97..b424485647f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001110.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001110.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001110 -RECORD_TITLE: trans-4-Hydroxy-3-methoxycinnamate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: trans-4-Hydroxy-3-methoxycinnamate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KSEBMYQBYZTDHS-HWKANZROSA-N CH$LINK: COMPTOX DTXSID70892035 CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001111.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001111.txt index 66c02af350e..7795700fa58 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001111.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001111.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001111 -RECORD_TITLE: 10-Hydroxydecanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 10-Hydroxydecanoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YJCJVMMDTBEITC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10168428 CH$LINK: ChemOnt CHEMONTID:0000299; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Medium-chain hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001112.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001112.txt index 0da9286b487..c82e1b4c9c8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001112.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001112.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001112 -RECORD_TITLE: 10-Hydroxydecanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 10-Hydroxydecanoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YJCJVMMDTBEITC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10168428 CH$LINK: ChemOnt CHEMONTID:0000299; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Medium-chain hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001113.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001113.txt index 018c59ac9ac..4098c6f6b91 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001113.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001113.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001113 -RECORD_TITLE: 10-Hydroxydecanoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 10-Hydroxydecanoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YJCJVMMDTBEITC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10168428 CH$LINK: ChemOnt CHEMONTID:0000299; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Medium-chain hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001114.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001114.txt index 33698e33ffe..ded679565ca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001114.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001114.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001114 -RECORD_TITLE: 10-Hydroxydecanoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 10-Hydroxydecanoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YJCJVMMDTBEITC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10168428 CH$LINK: ChemOnt CHEMONTID:0000299; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Medium-chain hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001115.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001115.txt index fb3452522c5..dd2ce16fac9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001115.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001115.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001115 -RECORD_TITLE: 4-Hydroxymandelic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 4-Hydroxymandelic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:440639 CH$LINK: INCHIKEY YHXHKYRQLYQUIH-SSDOTTSWSA-N CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001116.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001116.txt index 908cca7082a..c9f336b1ede 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001116.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001116.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001116 -RECORD_TITLE: 4-Hydroxymandelic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 4-Hydroxymandelic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:440639 CH$LINK: INCHIKEY YHXHKYRQLYQUIH-SSDOTTSWSA-N CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001117.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001117.txt index 48baa1d0a86..56977db52e3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001117.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001117.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001117 -RECORD_TITLE: 4-Hydroxymandelic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 4-Hydroxymandelic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:440639 CH$LINK: INCHIKEY YHXHKYRQLYQUIH-SSDOTTSWSA-N CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001118.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001118.txt index 0e0dee615a8..aff7f40ba76 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001118.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001118.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001118 -RECORD_TITLE: 4-Hydroxymandelic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 4-Hydroxymandelic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:440639 CH$LINK: INCHIKEY YHXHKYRQLYQUIH-SSDOTTSWSA-N CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001119.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001119.txt index 116906d780a..0623dd1b7ae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001119.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001119.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001119 -RECORD_TITLE: 4-Hydroxymandelic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 4-Hydroxymandelic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:440639 CH$LINK: INCHIKEY YHXHKYRQLYQUIH-SSDOTTSWSA-N CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001120.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001120.txt index 48bf57f0b1d..6bdedf69ca3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001120.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001120.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001120 -RECORD_TITLE: 3-Hydroxy-3-methylglutaric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 3-Hydroxy-3-methylglutaric acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY NPOAOTPXWNWTSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90198304 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001121.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001121.txt index 712dfaba1f2..1a51172926e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001121.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001121.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001121 -RECORD_TITLE: 3-Hydroxy-3-methylglutaric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 3-Hydroxy-3-methylglutaric acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY NPOAOTPXWNWTSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90198304 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001122.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001122.txt index c6928c61d43..80b9bce760e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001122.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001122.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001122 -RECORD_TITLE: 3-Hydroxy-3-methylglutaric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 3-Hydroxy-3-methylglutaric acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY NPOAOTPXWNWTSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90198304 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001123.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001123.txt index 695c00e3ea7..29275745fea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001123.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001123.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001123 -RECORD_TITLE: 3-Hydroxy-3-methylglutaric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 3-Hydroxy-3-methylglutaric acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY NPOAOTPXWNWTSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90198304 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001124.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001124.txt index b4196e61607..86bcaa09d02 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001124.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001124.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001124 -RECORD_TITLE: 3-Hydroxy-3-methylglutaric acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 3-Hydroxy-3-methylglutaric acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY NPOAOTPXWNWTSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90198304 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001125.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001125.txt index 48b4d9252f8..7d2f9bc1e4e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001125.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001125.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001125 -RECORD_TITLE: threo-beta-Hydroxyaspartic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: threo-beta-Hydroxyaspartic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YYLQUHNPNCGKJQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20875575 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001126.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001126.txt index 8984ff83621..e41cc5810de 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001126.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001126.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001126 -RECORD_TITLE: threo-beta-Hydroxyaspartic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: threo-beta-Hydroxyaspartic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YYLQUHNPNCGKJQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20875575 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001127.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001127.txt index 147d0cd575b..0f17bb9c06c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001127.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001127.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001127 -RECORD_TITLE: threo-beta-Hydroxyaspartic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: threo-beta-Hydroxyaspartic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YYLQUHNPNCGKJQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20875575 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001128.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001128.txt index 5fa4d54dcdd..d92fd2a20fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001128.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001128.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001128 -RECORD_TITLE: threo-beta-Hydroxyaspartic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: threo-beta-Hydroxyaspartic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YYLQUHNPNCGKJQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20875575 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001129.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001129.txt index 4c1aec96991..1a26ed55b82 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001129.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001129.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001129 -RECORD_TITLE: threo-beta-Hydroxyaspartic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: threo-beta-Hydroxyaspartic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YYLQUHNPNCGKJQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20875575 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001130.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001130.txt index 5d622384a61..135284977b3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001130.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001130.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001130 -RECORD_TITLE: 2-Hydroxy-4-methylpentanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2-Hydroxy-4-methylpentanoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LVRFTAZAXQPQHI-RXMQYKEDSA-N CH$LINK: COMPTOX DTXSID10331458 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001131.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001131.txt index c8ba5e451e1..3796687f6f9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001131.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001131.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001131 -RECORD_TITLE: 2-Hydroxy-4-methylpentanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2-Hydroxy-4-methylpentanoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LVRFTAZAXQPQHI-RXMQYKEDSA-N CH$LINK: COMPTOX DTXSID10331458 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001132.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001132.txt index f86f4c263b7..0ed20a370f0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001132.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001132.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001132 -RECORD_TITLE: 2-Hydroxy-4-methylpentanoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2-Hydroxy-4-methylpentanoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LVRFTAZAXQPQHI-RXMQYKEDSA-N CH$LINK: COMPTOX DTXSID10331458 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001133.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001133.txt index 10059fa67a1..da6111ad9d1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001133.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001133.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001133 -RECORD_TITLE: 2-Hydroxy-4-methylpentanoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2-Hydroxy-4-methylpentanoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LVRFTAZAXQPQHI-RXMQYKEDSA-N CH$LINK: COMPTOX DTXSID10331458 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001134.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001134.txt index 514cf526a7b..d4945156b75 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001134.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001134.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001134 -RECORD_TITLE: 2-Hydroxy-4-methylpentanoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 2-Hydroxy-4-methylpentanoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LVRFTAZAXQPQHI-RXMQYKEDSA-N CH$LINK: COMPTOX DTXSID10331458 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001135.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001135.txt index c725fb2e351..a56b915867b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001135.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001135.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001135 -RECORD_TITLE: Serine O-sulfate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Serine O-sulfate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY LFZGUGJDVUUGLK-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID80211652 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001136.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001136.txt index 229384ba006..8ba1612ba12 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001136.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001136.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001136 -RECORD_TITLE: Serine O-sulfate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Serine O-sulfate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY LFZGUGJDVUUGLK-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID80211652 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001137.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001137.txt index 2211b45d68a..b5ccf12795c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001137.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001137.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001137 -RECORD_TITLE: Serine O-sulfate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Serine O-sulfate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY LFZGUGJDVUUGLK-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID80211652 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001138.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001138.txt index a63ad09187d..439b7cefab9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001138.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001138.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001138 -RECORD_TITLE: Serine O-sulfate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Serine O-sulfate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY LFZGUGJDVUUGLK-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID80211652 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001139.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001139.txt index 5ac33d28c06..28cd65e79cc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001139.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001139.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001139 -RECORD_TITLE: Serine O-sulfate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Serine O-sulfate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY LFZGUGJDVUUGLK-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID80211652 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001140.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001140.txt index 3e6b5137afa..049571c6cd5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001140.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001140.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001140 -RECORD_TITLE: 2-(4-Hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2-(4-Hydroxyphenyl)propionic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZHMMPVANGNPCBW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90917911 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001141.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001141.txt index 21dc5491c94..4c0be92aedf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001141.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001141.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001141 -RECORD_TITLE: 2-(4-Hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2-(4-Hydroxyphenyl)propionic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZHMMPVANGNPCBW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90917911 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001142.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001142.txt index fcacb46eedf..b71a3600587 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001142.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001142.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001142 -RECORD_TITLE: 2-(4-Hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2-(4-Hydroxyphenyl)propionic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZHMMPVANGNPCBW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90917911 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001143.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001143.txt index 3f775075109..ab8926ad0a5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001143.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001143.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001143 -RECORD_TITLE: 2-(4-Hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2-(4-Hydroxyphenyl)propionic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZHMMPVANGNPCBW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90917911 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001144.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001144.txt index 57b945a65e1..78e12e1f789 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001144.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001144.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001144 -RECORD_TITLE: 2-(4-Hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 2-(4-Hydroxyphenyl)propionic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZHMMPVANGNPCBW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90917911 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001145.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001145.txt index 892b156e690..8618cc74ada 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001145.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001145.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001145 -RECORD_TITLE: beta-Hydroxypropionic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: beta-Hydroxypropionic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY ALRHLSYJTWAHJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50198305 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001146.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001146.txt index 4a7bfd6b4ba..d9e75a79487 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001146.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001146.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001146 -RECORD_TITLE: beta-Hydroxypropionic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: beta-Hydroxypropionic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY ALRHLSYJTWAHJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50198305 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001147.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001147.txt index 97762b71182..91b4efb3955 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001147.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001147.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001147 -RECORD_TITLE: beta-Hydroxypropionic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: beta-Hydroxypropionic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY ALRHLSYJTWAHJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50198305 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001148.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001148.txt index e76c2438a37..68f33d7d5e2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001148.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001148.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001148 -RECORD_TITLE: beta-Hydroxypropionic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: beta-Hydroxypropionic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY ALRHLSYJTWAHJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50198305 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001149.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001149.txt index 19aef28b916..b9717da1a3b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001149.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001149.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001149 -RECORD_TITLE: beta-Hydroxypropionic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: beta-Hydroxypropionic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY ALRHLSYJTWAHJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50198305 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001150.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001150.txt index 7338e78a662..bc9ad5537d8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001150.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001150.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001150 -RECORD_TITLE: 4-Hydroxy-3-methoxybenzoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 4-Hydroxy-3-methoxybenzoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WKOLLVMJNQIZCI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059522 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001151.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001151.txt index 51713214343..b4a07b3c88a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001151.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001151.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001151 -RECORD_TITLE: 4-Hydroxy-3-methoxybenzoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 4-Hydroxy-3-methoxybenzoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WKOLLVMJNQIZCI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059522 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001152.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001152.txt index fb762f7d22e..0c791b7db5c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001152.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001152.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001152 -RECORD_TITLE: 4-Hydroxy-3-methoxybenzoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 4-Hydroxy-3-methoxybenzoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WKOLLVMJNQIZCI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059522 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001153.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001153.txt index e567dda6a43..62211751564 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001153.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001153.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001153 -RECORD_TITLE: 4-Hydroxy-3-methoxybenzoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 4-Hydroxy-3-methoxybenzoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WKOLLVMJNQIZCI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059522 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001154.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001154.txt index 2ba30bf93ab..ecf4ad4e4a4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001154.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001154.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001154 -RECORD_TITLE: 4-Hydroxy-3-methoxybenzoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 4-Hydroxy-3-methoxybenzoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WKOLLVMJNQIZCI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059522 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001155.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001155.txt index c99842403af..78697e4b62a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001155.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001155.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001155 -RECORD_TITLE: 4-Hydroxyquinoline; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 4-Hydroxyquinoline; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PMZDQRJGMBOQBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50209980 CH$LINK: ChemOnt CHEMONTID:0000056; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001156.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001156.txt index 8787c0f86c3..531bdc03beb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001156.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001156.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001156 -RECORD_TITLE: 4-Hydroxyquinoline; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 4-Hydroxyquinoline; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PMZDQRJGMBOQBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50209980 CH$LINK: ChemOnt CHEMONTID:0000056; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001157.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001157.txt index e89efbc0b6c..b191fc94932 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001157.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001157.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001157 -RECORD_TITLE: 4-Hydroxyquinoline; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 4-Hydroxyquinoline; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PMZDQRJGMBOQBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50209980 CH$LINK: ChemOnt CHEMONTID:0000056; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001158.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001158.txt index a77ef096fee..5f7120e378d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001158.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001158.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001158 -RECORD_TITLE: 4-Hydroxyquinoline; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 4-Hydroxyquinoline; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PMZDQRJGMBOQBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50209980 CH$LINK: ChemOnt CHEMONTID:0000056; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001159.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001159.txt index 49f998f6aa3..4e5b2e037ce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001159.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001159.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001159 -RECORD_TITLE: 4-Hydroxyquinoline; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 4-Hydroxyquinoline; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PMZDQRJGMBOQBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50209980 CH$LINK: ChemOnt CHEMONTID:0000056; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001160.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001160.txt index 14d3dc48673..d33391b1918 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001160.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001160.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001160 -RECORD_TITLE: DL-Isocitric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: DL-Isocitric acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ODBLHEXUDAPZAU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60861871 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001161.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001161.txt index 5be545ecd88..b00a73fca17 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001161.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001161.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001161 -RECORD_TITLE: DL-Isocitric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: DL-Isocitric acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ODBLHEXUDAPZAU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60861871 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001162.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001162.txt index ecb7718957c..a71744aa805 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001162.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001162.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001162 -RECORD_TITLE: DL-Isocitric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: DL-Isocitric acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ODBLHEXUDAPZAU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60861871 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001163.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001163.txt index effce3c5823..79f70656a8e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001163.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001163.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001163 -RECORD_TITLE: DL-Isocitric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: DL-Isocitric acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ODBLHEXUDAPZAU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60861871 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001164.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001164.txt index 480d92f732c..b3b7bf3877f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001164.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001164.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001164 -RECORD_TITLE: DL-Isocitric acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: DL-Isocitric acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ODBLHEXUDAPZAU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60861871 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001165.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001165.txt index e82f19477c7..5a189187544 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001165.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001165.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001165 -RECORD_TITLE: Indole-3-pyruvic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Indole-3-pyruvic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY RSTKLPZEZYGQPY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3042053 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001166.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001166.txt index ccb8c86189b..6f59b060134 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001166.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001166.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001166 -RECORD_TITLE: Indole-3-pyruvic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Indole-3-pyruvic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY RSTKLPZEZYGQPY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3042053 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001167.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001167.txt index 817f34b90c7..2eb65a8ac45 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001167.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001167.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001167 -RECORD_TITLE: Indole-3-pyruvic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Indole-3-pyruvic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY RSTKLPZEZYGQPY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3042053 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001168.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001168.txt index be3ae08599b..f97b476b4bb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001168.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001168.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001168 -RECORD_TITLE: Indole-3-pyruvic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Indole-3-pyruvic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY RSTKLPZEZYGQPY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3042053 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001169.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001169.txt index 6b3de0aa38c..51253115df4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001169.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001169.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001169 -RECORD_TITLE: Indole-3-pyruvic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Indole-3-pyruvic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY RSTKLPZEZYGQPY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3042053 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001170.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001170.txt index d7d91848241..472fe94e857 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001170.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001170.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001170 -RECORD_TITLE: Inosine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Inosine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY UGQMRVRMYYASKQ-KQYNXXCUSA-N CH$LINK: COMPTOX DTXSID2045993 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001171.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001171.txt index 606fb218b4f..8e41c7ded36 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001171.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001171.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001171 -RECORD_TITLE: Inosine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Inosine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY UGQMRVRMYYASKQ-KQYNXXCUSA-N CH$LINK: COMPTOX DTXSID2045993 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001172.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001172.txt index 16135280189..b901981b426 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001172.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001172.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001172 -RECORD_TITLE: Inosine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Inosine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY UGQMRVRMYYASKQ-KQYNXXCUSA-N CH$LINK: COMPTOX DTXSID2045993 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001173.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001173.txt index 41c42fd31ab..2e6977e8318 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001173.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001173.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001173 -RECORD_TITLE: Inosine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Inosine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY UGQMRVRMYYASKQ-KQYNXXCUSA-N CH$LINK: COMPTOX DTXSID2045993 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001174.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001174.txt index cfa01c0bf36..4efeea52c09 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001174.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001174.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001174 -RECORD_TITLE: Inosine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Inosine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY UGQMRVRMYYASKQ-KQYNXXCUSA-N CH$LINK: COMPTOX DTXSID2045993 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001175.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001175.txt index ec408f7df25..3f1af48ec46 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001175.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001175.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001175 -RECORD_TITLE: L-Isoleucine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-Isoleucine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AGPKZVBTJJNPAG-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID1047441 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001176.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001176.txt index 4d498d13ee1..b16417a4bd4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001176.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001176.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001176 -RECORD_TITLE: L-Isoleucine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-Isoleucine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AGPKZVBTJJNPAG-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID1047441 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001177.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001177.txt index 53948a08bfb..e14f5b7a85f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001177.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001177.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001177 -RECORD_TITLE: L-Isoleucine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-Isoleucine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AGPKZVBTJJNPAG-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID1047441 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001178.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001178.txt index 7ec40daf80e..b9488cd1c04 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001178.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001178.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001178 -RECORD_TITLE: L-Isoleucine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: L-Isoleucine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AGPKZVBTJJNPAG-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID1047441 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001179.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001179.txt index 287b45b7f50..47a8aa2c54b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001179.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001179.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001179 -RECORD_TITLE: L-Isoleucine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: L-Isoleucine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AGPKZVBTJJNPAG-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID1047441 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001180.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001180.txt index f9d77d28ad8..43f03a9f043 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001180.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001180.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001180 -RECORD_TITLE: Isobutyric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Isobutyric acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY KQNPFQTWMSNSAP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021636 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001181.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001181.txt index 7f53311d977..5c67a4692b1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001181.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001181.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001181 -RECORD_TITLE: Isobutyric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Isobutyric acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY KQNPFQTWMSNSAP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021636 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001182.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001182.txt index 00a6a0ab76c..faeb77e8a5f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001182.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001182.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001182 -RECORD_TITLE: Isobutyric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Isobutyric acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY KQNPFQTWMSNSAP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021636 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001183.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001183.txt index 98708083e62..31e6a6f3eeb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001183.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001183.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001183 -RECORD_TITLE: Itaconic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Itaconic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY LVHBHZANLOWSRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2026608 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001184.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001184.txt index 3ccc56e177f..c79be023611 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001184.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001184.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001184 -RECORD_TITLE: Itaconic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Itaconic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY LVHBHZANLOWSRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2026608 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001185.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001185.txt index 53a3a72b4da..359af8c34a8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001185.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001185.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001185 -RECORD_TITLE: Itaconic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Itaconic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY LVHBHZANLOWSRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2026608 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001186.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001186.txt index 40074e6f05d..ee151daae1e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001186.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001186.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001186 -RECORD_TITLE: Itaconic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Itaconic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY LVHBHZANLOWSRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2026608 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001187.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001187.txt index 1e232bc0b93..08a8f9fd36f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001187.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001187.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001187 -RECORD_TITLE: Itaconic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Itaconic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY LVHBHZANLOWSRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2026608 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001188.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001188.txt index a4b303c060f..d6e8a54541e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001188.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001188.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001188 -RECORD_TITLE: Isoguvacine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Isoguvacine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY CSDPVAKVEWETFG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50952722 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001189.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001189.txt index c1e12f18cc9..93b8c2892ec 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001189.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001189.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001189 -RECORD_TITLE: Isoguvacine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Isoguvacine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY KRVDMABBKYMBHG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30214855 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001190.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001190.txt index e2156c0d189..9c9e8657bda 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001190.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001190.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001190 -RECORD_TITLE: Isoguvacine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Isoguvacine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY KRVDMABBKYMBHG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30214855 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001191.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001191.txt index 3e799a11ffa..2d3688d1fa3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001191.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001191.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001191 -RECORD_TITLE: Isoguvacine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Isoguvacine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY KRVDMABBKYMBHG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30214855 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001192.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001192.txt index b4dc7c341fa..06cf1b0ba99 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001192.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001192.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001192 -RECORD_TITLE: Isoguvacine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Isoguvacine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY KRVDMABBKYMBHG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30214855 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001193.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001193.txt index 00ee69c540e..165f0ca6e9e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001193.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001193.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001193 -RECORD_TITLE: Isovaleric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Isovaleric acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GWYFCOCPABKNJV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5029182 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001194.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001194.txt index 3a9f7f48f46..9609e0e7ac9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001194.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001194.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001194 -RECORD_TITLE: Isovaleric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Isovaleric acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GWYFCOCPABKNJV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5029182 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001195.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001195.txt index e20ebf78f2c..1aee8457cb6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001195.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001195.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001195 -RECORD_TITLE: Isovaleric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Isovaleric acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GWYFCOCPABKNJV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5029182 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001196.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001196.txt index 05f2bbf8e0c..2ec541d29d3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001196.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001196.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001196 -RECORD_TITLE: Isatin; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Isatin; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JXDYKVIHCLTXOP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3038694 CH$LINK: ChemOnt CHEMONTID:0001146; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001197.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001197.txt index a98f6767c06..12010efc76b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001197.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001197.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001197 -RECORD_TITLE: Isatin; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Isatin; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JXDYKVIHCLTXOP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3038694 CH$LINK: ChemOnt CHEMONTID:0001146; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001198.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001198.txt index bc7d275aab5..71fadf7bb1b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001198.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001198.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001198 -RECORD_TITLE: Isatin; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Isatin; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JXDYKVIHCLTXOP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3038694 CH$LINK: ChemOnt CHEMONTID:0001146; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001199.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001199.txt index 8488b395843..7fc0afe2d6a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001199.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001199.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001199 -RECORD_TITLE: Isatin; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Isatin; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JXDYKVIHCLTXOP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3038694 CH$LINK: ChemOnt CHEMONTID:0001146; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001200.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001200.txt index 1b956627370..8de16a131c7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001200.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001200.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001200 -RECORD_TITLE: Isatin; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Isatin; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JXDYKVIHCLTXOP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3038694 CH$LINK: ChemOnt CHEMONTID:0001146; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001201.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001201.txt index 8c199c9515a..f0f0caa958b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001201.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001201 -RECORD_TITLE: Indole-3-ethanol; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Indole-3-ethanol; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY MBBOMCVGYCRMEA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2060173 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001202.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001202.txt index 6e5951d1227..0ccca99cf34 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001202.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001202 -RECORD_TITLE: Indole-3-ethanol; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Indole-3-ethanol; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY MBBOMCVGYCRMEA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2060173 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001203.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001203.txt index 78360d09053..2396f666767 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001203.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001203 -RECORD_TITLE: Indole-3-ethanol; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Indole-3-ethanol; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY MBBOMCVGYCRMEA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2060173 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001204.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001204.txt index 20610b72bc7..543f118cf95 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001204.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001204 -RECORD_TITLE: Indole-3-ethanol; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Indole-3-ethanol; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY MBBOMCVGYCRMEA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2060173 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001205.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001205.txt index e9396b468ca..cb07bf30015 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001205.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001205 -RECORD_TITLE: Indole-3-ethanol; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Indole-3-ethanol; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY MBBOMCVGYCRMEA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2060173 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001206.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001206.txt index c72848b247c..6d917b89139 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001206.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001206 -RECORD_TITLE: 3-Indoleacetonitrile; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 3-Indoleacetonitrile; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DMCPFOBLJMLSNX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061118 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001207.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001207.txt index 7e2908e7d85..ea0ada8e1ee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001207.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001207 -RECORD_TITLE: 3-Indoleacetonitrile; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 3-Indoleacetonitrile; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DMCPFOBLJMLSNX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061118 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001208.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001208.txt index f23c5712eec..6202ec0a262 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001208.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001208 -RECORD_TITLE: 3-Indoleacetonitrile; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 3-Indoleacetonitrile; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DMCPFOBLJMLSNX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061118 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001209.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001209.txt index dbd5ec2e331..52278ed2f89 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001209.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001209 -RECORD_TITLE: 3-Indoleacetonitrile; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 3-Indoleacetonitrile; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DMCPFOBLJMLSNX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061118 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001210.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001210.txt index e7be52db7b4..88790612109 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001210.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001210.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001210 -RECORD_TITLE: 3-Indoleacetonitrile; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 3-Indoleacetonitrile; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DMCPFOBLJMLSNX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061118 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001211.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001211.txt index 48afb2f0a5f..190cff41524 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001211.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001211.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001211 -RECORD_TITLE: Isoferulic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Isoferulic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:736186 CH$LINK: INCHIKEY QURCVMIEKCOAJU-HWKANZROSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001212.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001212.txt index 417a26bfb5e..6fed39367eb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001212.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001212.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001212 -RECORD_TITLE: Isoferulic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Isoferulic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:736186 CH$LINK: INCHIKEY QURCVMIEKCOAJU-HWKANZROSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001213.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001213.txt index 5462433c950..a4364e9cdd7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001213.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001213.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001213 -RECORD_TITLE: Isoferulic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Isoferulic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:736186 CH$LINK: INCHIKEY QURCVMIEKCOAJU-HWKANZROSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001214.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001214.txt index 5cbc96500a6..b940cea0adc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001214.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001214.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001214 -RECORD_TITLE: Isoferulic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Isoferulic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:736186 CH$LINK: INCHIKEY QURCVMIEKCOAJU-HWKANZROSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001215.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001215.txt index 3ca48a98759..b50eaaac064 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001215.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001215.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001215 -RECORD_TITLE: Isoferulic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Isoferulic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:736186 CH$LINK: INCHIKEY QURCVMIEKCOAJU-HWKANZROSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001216.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001216.txt index d52c9a84e88..4a26a7919cf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001216.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001216.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001216 -RECORD_TITLE: 3-Indolebutyric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 3-Indolebutyric acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY JTEDVYBZBROSJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8032623 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001217.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001217.txt index bb5a2a56363..52b0f7bcec6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001217.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001217.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001217 -RECORD_TITLE: 3-Indolebutyric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 3-Indolebutyric acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY JTEDVYBZBROSJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8032623 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001218.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001218.txt index 3c958db6a13..3b70789d416 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001218.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001218.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001218 -RECORD_TITLE: 3-Indolebutyric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 3-Indolebutyric acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY JTEDVYBZBROSJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8032623 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001219.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001219.txt index d1a74fed43b..8293992d115 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001219.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001219.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001219 -RECORD_TITLE: 3-Indolebutyric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 3-Indolebutyric acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY JTEDVYBZBROSJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8032623 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001220.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001220.txt index d1a409c6bfe..a9960939e63 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001220.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001220.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001220 -RECORD_TITLE: 3-Indolebutyric acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 3-Indolebutyric acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY JTEDVYBZBROSJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8032623 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001221.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001221.txt index 4f70915a6fa..68817414eed 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001221.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001221.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001221 -RECORD_TITLE: Indole-3-acetamide; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Indole-3-acetamide; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZOAMBXDOGPRZLP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60236686 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001222.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001222.txt index f53688849c8..faef438d0fc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001222.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001222.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001222 -RECORD_TITLE: Indole-3-acetamide; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Indole-3-acetamide; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZOAMBXDOGPRZLP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60236686 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001223.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001223.txt index 9c0a22bdf3c..dc66a32bac0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001223.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001223.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001223 -RECORD_TITLE: Indole-3-acetamide; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Indole-3-acetamide; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZOAMBXDOGPRZLP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60236686 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001224.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001224.txt index 4ee10975e5b..5f9545402c6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001224.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001224.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001224 -RECORD_TITLE: Indole-3-acetamide; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Indole-3-acetamide; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZOAMBXDOGPRZLP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60236686 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001225.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001225.txt index 69e41c1114b..e94a6b077a9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001225.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001225.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001225 -RECORD_TITLE: Indole-3-acetamide; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Indole-3-acetamide; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZOAMBXDOGPRZLP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60236686 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001226.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001226.txt index 7858b5caf06..5be16586116 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001226.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001226.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001226 -RECORD_TITLE: Indoleacetic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Indoleacetic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020738 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001227.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001227.txt index 429bd7962fe..2796eefcec3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001227.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001227.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001227 -RECORD_TITLE: Indoleacetic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Indoleacetic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020738 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001228.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001228.txt index f587ece1c59..ddd4fcaba55 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001228.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001228.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001228 -RECORD_TITLE: Indoleacetic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Indoleacetic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020738 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001229.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001229.txt index d781cb6ce8d..09a970c6b30 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001229.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001229.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001229 -RECORD_TITLE: Indoleacetic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Indoleacetic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020738 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001230.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001230.txt index 05386578d41..edfbc7626dc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001230.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001230.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001230 -RECORD_TITLE: Indoleacetic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Indoleacetic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020738 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001231.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001231.txt index 8f2f0939e8f..9e1d6153f71 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001231.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001231.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001231 -RECORD_TITLE: Isethionic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Isethionic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SUMDYPCJJOFFON-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1041427 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001232.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001232.txt index b91f7e07bd3..ad11f3c1108 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001232.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001232.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001232 -RECORD_TITLE: Isethionic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Isethionic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SUMDYPCJJOFFON-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1041427 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001233.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001233.txt index a244b72cf7c..1a89b78cddc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001233.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001233.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001233 -RECORD_TITLE: Isethionic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Isethionic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SUMDYPCJJOFFON-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1041427 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001234.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001234.txt index 0c9a3bc5521..e714baa7fbb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001234.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001234.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001234 -RECORD_TITLE: Isethionic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Isethionic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SUMDYPCJJOFFON-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1041427 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001235.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001235.txt index dd22cf622d7..b7a58551b11 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001235.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001235.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001235 -RECORD_TITLE: Isethionic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Isethionic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SUMDYPCJJOFFON-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1041427 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001236.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001236.txt index eb8d841f4f2..b69a5b48a11 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001236.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001236.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001236 -RECORD_TITLE: 2-Isopropylmalic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2-Isopropylmalic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: PUBCHEM CID:5280523 CH$LINK: INCHIKEY BITYXLXUCSKTJS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001237.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001237.txt index b6ed1fd918b..4f623c0383e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001237.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001237.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001237 -RECORD_TITLE: 2-Isopropylmalic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2-Isopropylmalic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: PUBCHEM CID:5280523 CH$LINK: INCHIKEY BITYXLXUCSKTJS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001238.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001238.txt index fcb3df0b9dc..78420bb72b0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001238.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001238.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001238 -RECORD_TITLE: 2-Isopropylmalic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2-Isopropylmalic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: PUBCHEM CID:5280523 CH$LINK: INCHIKEY BITYXLXUCSKTJS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001239.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001239.txt index 54207194f9b..f4f3eadd880 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001239.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001239.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001239 -RECORD_TITLE: 2-Isopropylmalic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2-Isopropylmalic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: PUBCHEM CID:5280523 CH$LINK: INCHIKEY BITYXLXUCSKTJS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001240.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001240.txt index 8973e2bd700..d1e72bdacb2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001240.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001240.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001240 -RECORD_TITLE: 2-Isopropylmalic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 2-Isopropylmalic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: PUBCHEM CID:5280523 CH$LINK: INCHIKEY BITYXLXUCSKTJS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001241.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001241.txt index d6c0c0fb28c..bbd0909c545 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001241.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001241.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001241 -RECORD_TITLE: 3-Iodotyrosine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 3-Iodotyrosine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY UQTZMGFTRHFAAM-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID1075353 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001242.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001242.txt index 1d997aea4c4..8977158a153 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001242.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001242.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001242 -RECORD_TITLE: 3-Iodotyrosine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 3-Iodotyrosine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY UQTZMGFTRHFAAM-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID1075353 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001243.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001243.txt index e5e538634f1..156a7a095e4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001243.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001243.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001243 -RECORD_TITLE: 3-Iodotyrosine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 3-Iodotyrosine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY UQTZMGFTRHFAAM-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID1075353 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001244.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001244.txt index 2cb045bbb78..d2c0d0be019 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001244.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001244.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001244 -RECORD_TITLE: 3-Iodotyrosine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 3-Iodotyrosine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY UQTZMGFTRHFAAM-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID1075353 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001245.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001245.txt index 302d22fbcd7..08b2ccc8fca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001245.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001245.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001245 -RECORD_TITLE: 3-Iodotyrosine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 3-Iodotyrosine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY UQTZMGFTRHFAAM-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID1075353 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001246.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001246.txt index 5ba6a433eb8..ccd1bd71c09 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001246.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001246.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001246 -RECORD_TITLE: 3-Indoxyl sulfate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 3-Indoxyl sulfate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY BXFFHSIDQOFMLE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30928203 CH$LINK: ChemOnt CHEMONTID:0004258; Organic compounds; Organic acids and derivatives; Organic sulfuric acids and derivatives; Arylsulfates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001247.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001247.txt index 875353ce2cb..a7667006d32 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001247.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001247.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001247 -RECORD_TITLE: 3-Indoxyl sulfate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 3-Indoxyl sulfate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY BXFFHSIDQOFMLE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30928203 CH$LINK: ChemOnt CHEMONTID:0004258; Organic compounds; Organic acids and derivatives; Organic sulfuric acids and derivatives; Arylsulfates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001248.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001248.txt index d90ca2f0053..18bbad64781 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001248.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001248.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001248 -RECORD_TITLE: 3-Indoxyl sulfate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 3-Indoxyl sulfate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY BXFFHSIDQOFMLE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30928203 CH$LINK: ChemOnt CHEMONTID:0004258; Organic compounds; Organic acids and derivatives; Organic sulfuric acids and derivatives; Arylsulfates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001249.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001249.txt index 0e8b470fe76..b84b6a4171a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001249.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001249.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001249 -RECORD_TITLE: 3-Indoxyl sulfate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 3-Indoxyl sulfate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY BXFFHSIDQOFMLE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30928203 CH$LINK: ChemOnt CHEMONTID:0004258; Organic compounds; Organic acids and derivatives; Organic sulfuric acids and derivatives; Arylsulfates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001250.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001250.txt index 8a9b9755ee2..647aecf9a27 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001250.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001250.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001250 -RECORD_TITLE: 3-Indoxyl sulfate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 3-Indoxyl sulfate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY BXFFHSIDQOFMLE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30928203 CH$LINK: ChemOnt CHEMONTID:0004258; Organic compounds; Organic acids and derivatives; Organic sulfuric acids and derivatives; Arylsulfates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001251.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001251.txt index e630a88e9d2..3b189843510 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001251.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001251.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001251 -RECORD_TITLE: Isonicotinic acid hydrazide; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Isonicotinic acid hydrazide; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY QRXWMOHMRWLFEY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020755 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001252.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001252.txt index e74d271bf29..32c0f006e71 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001252.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001252.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001252 -RECORD_TITLE: Isonicotinic acid hydrazide; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Isonicotinic acid hydrazide; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY QRXWMOHMRWLFEY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020755 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001253.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001253.txt index 1d19f285833..99b3a5e1520 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001253.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001253.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001253 -RECORD_TITLE: Isonicotinic acid hydrazide; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Isonicotinic acid hydrazide; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY QRXWMOHMRWLFEY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020755 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001254.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001254.txt index c1040f4d014..9ddaa4f46e3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001254.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001254.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001254 -RECORD_TITLE: Isonicotinic acid hydrazide; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Isonicotinic acid hydrazide; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY QRXWMOHMRWLFEY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020755 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001255.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001255.txt index 41918950971..ff6108c96cf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001255.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001255.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001255 -RECORD_TITLE: Isonicotinic acid hydrazide; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Isonicotinic acid hydrazide; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY QRXWMOHMRWLFEY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020755 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001256.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001256.txt index 8b22891fc35..7e1d84b8dfa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001256.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001256.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001256 -RECORD_TITLE: 2-Oxoadipic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2-Oxoadipic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FGSBNBBHOZHUBO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20185702 CH$LINK: ChemOnt CHEMONTID:0001415; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Medium-chain keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001257.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001257.txt index 4c7e04bfc33..ed1a4e4ad86 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001257.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001257.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001257 -RECORD_TITLE: 2-Oxoadipic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2-Oxoadipic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FGSBNBBHOZHUBO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20185702 CH$LINK: ChemOnt CHEMONTID:0001415; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Medium-chain keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001258.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001258.txt index 773b3615ca7..6f13f8622ac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001258.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001258.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001258 -RECORD_TITLE: 2-Oxoadipic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2-Oxoadipic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FGSBNBBHOZHUBO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20185702 CH$LINK: ChemOnt CHEMONTID:0001415; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Medium-chain keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001259.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001259.txt index bbbbf9e0b53..a3a9e9f769d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001259.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001259.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001259 -RECORD_TITLE: 2-Oxoadipic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2-Oxoadipic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FGSBNBBHOZHUBO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20185702 CH$LINK: ChemOnt CHEMONTID:0001415; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Medium-chain keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001260.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001260.txt index 5b3e2e2f25a..3d7e6808a19 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001260.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001260.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001260 -RECORD_TITLE: 2-Oxoadipic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 2-Oxoadipic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FGSBNBBHOZHUBO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20185702 CH$LINK: ChemOnt CHEMONTID:0001415; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Medium-chain keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001261.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001261.txt index 297a519d6cf..54c50a66f24 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001261.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001261.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001261 -RECORD_TITLE: L-Leucine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-Leucine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ROHFNLRQFUQHCH-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023203 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001262.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001262.txt index 6368a79eb87..d86d7d5679f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001262.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001262.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001262 -RECORD_TITLE: L-Leucine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-Leucine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ROHFNLRQFUQHCH-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023203 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001263.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001263.txt index 9336a0a84b5..e6e0d59fab3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001263.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001263.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001263 -RECORD_TITLE: L-Leucine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-Leucine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ROHFNLRQFUQHCH-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023203 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001264.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001264.txt index ab1a13c152c..26a15e2a032 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001264.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001264.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001264 -RECORD_TITLE: L-Leucine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: L-Leucine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ROHFNLRQFUQHCH-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023203 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001265.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001265.txt index 115566cbc54..a97e5757b89 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001265.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001265.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001265 -RECORD_TITLE: L-(+)-Lysine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-(+)-Lysine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KDXKERNSBIXSRK-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID6023232 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001266.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001266.txt index 3a984e718ad..052aabc5649 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001266.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001266.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001266 -RECORD_TITLE: L-(+)-Lysine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-(+)-Lysine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KDXKERNSBIXSRK-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID6023232 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001267.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001267.txt index 264e64c4d35..8c4adc5c7e4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001267.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001267.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001267 -RECORD_TITLE: L-(+)-Lysine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-(+)-Lysine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KDXKERNSBIXSRK-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID6023232 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001268.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001268.txt index ef6a4b78671..30c77ee0acd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001268.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001268.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001268 -RECORD_TITLE: L-(+)-Lysine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: L-(+)-Lysine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KDXKERNSBIXSRK-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID6023232 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001269.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001269.txt index 5473cad0d72..f7150976db7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001269.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001269.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001269 -RECORD_TITLE: L-(+)-Lysine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: L-(+)-Lysine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KDXKERNSBIXSRK-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID6023232 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001270.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001270.txt index a90e0c4b973..547d38f20cb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001270.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001270.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001270 -RECORD_TITLE: Lactic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Lactic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY JVTAAEKCZFNVCJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID6034689 CH$LINK: ChemOnt CHEMONTID:0001359; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Alpha hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001271.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001271.txt index 0676288a00a..cdb1956c703 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001271.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001271.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001271 -RECORD_TITLE: Lactic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Lactic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY JVTAAEKCZFNVCJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID6034689 CH$LINK: ChemOnt CHEMONTID:0001359; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Alpha hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001272.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001272.txt index dea9b654de1..8149dee3f37 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001272.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001272.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001272 -RECORD_TITLE: Lactic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Lactic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY JVTAAEKCZFNVCJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID6034689 CH$LINK: ChemOnt CHEMONTID:0001359; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Alpha hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001273.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001273.txt index 7f8399d722e..a38e75e7315 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001273.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001273.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001273 -RECORD_TITLE: Lactic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Lactic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY JVTAAEKCZFNVCJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID6034689 CH$LINK: ChemOnt CHEMONTID:0001359; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Alpha hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001274.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001274.txt index 2c0077c0ef7..03a4148fc15 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001274.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001274.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001274 -RECORD_TITLE: Lactic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Lactic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY JVTAAEKCZFNVCJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID6034689 CH$LINK: ChemOnt CHEMONTID:0001359; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Alpha hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001275.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001275.txt index 77c16edb6cb..9c37b227438 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001275.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001275.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001275 -RECORD_TITLE: Leupeptin; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Leupeptin; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5284408 CH$LINK: INCHIKEY GDBQQVLCIARPGH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001276.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001276.txt index 7f8c61f4d41..16f81aad33c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001276.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001276.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001276 -RECORD_TITLE: Leupeptin; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Leupeptin; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5284408 CH$LINK: INCHIKEY GDBQQVLCIARPGH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001277.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001277.txt index b3dc59a5f32..32d65c72225 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001277.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001277.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001277 -RECORD_TITLE: Leupeptin; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Leupeptin; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5284408 CH$LINK: INCHIKEY GDBQQVLCIARPGH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001278.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001278.txt index 60a1a619543..3245061d92e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001278.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001278.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001278 -RECORD_TITLE: Leupeptin; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Leupeptin; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5284408 CH$LINK: INCHIKEY GDBQQVLCIARPGH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001279.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001279.txt index 91bdffb8c0d..c160cdd71f2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001279.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001279.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001279 -RECORD_TITLE: Leupeptin; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Leupeptin; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5284408 CH$LINK: INCHIKEY GDBQQVLCIARPGH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001280.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001280.txt index a04954588c4..96b27be262a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001280.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001280.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001280 -RECORD_TITLE: Leu-Leu-Tyr; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Leu-Leu-Tyr; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UCNNZELZXFXXJQ-BZSNNMDCSA-N CH$LINK: COMPTOX DTXSID30942525 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001281.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001281.txt index a25c8171162..b99e6373447 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001281.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001281.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001281 -RECORD_TITLE: Leu-Leu-Tyr; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Leu-Leu-Tyr; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UCNNZELZXFXXJQ-BZSNNMDCSA-N CH$LINK: COMPTOX DTXSID30942525 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001282.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001282.txt index 7449fd890b7..60d6570cca4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001282.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001282.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001282 -RECORD_TITLE: Leu-Leu-Tyr; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Leu-Leu-Tyr; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UCNNZELZXFXXJQ-BZSNNMDCSA-N CH$LINK: COMPTOX DTXSID30942525 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001283.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001283.txt index 3dc1a478848..c26638bbd83 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001283.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001283.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001283 -RECORD_TITLE: Leu-Leu-Tyr; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Leu-Leu-Tyr; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UCNNZELZXFXXJQ-BZSNNMDCSA-N CH$LINK: COMPTOX DTXSID30942525 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001284.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001284.txt index b9e5860857d..d90c69e3ef4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001284.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001284.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001284 -RECORD_TITLE: Leu-Leu-Tyr; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Leu-Leu-Tyr; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UCNNZELZXFXXJQ-BZSNNMDCSA-N CH$LINK: COMPTOX DTXSID30942525 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001285.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001285.txt index 370dbfaecbf..e0cd7e3aa76 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001285.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001285.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001285 -RECORD_TITLE: Lauric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Lauric acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY POULHZVOKOAJMA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021590 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001286.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001286.txt index 8814cf02a77..78d7438b833 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001286.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001286.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001286 -RECORD_TITLE: Lauric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Lauric acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY POULHZVOKOAJMA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021590 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001287.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001287.txt index 063aab611ef..a2f670014f8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001287.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001287.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001287 -RECORD_TITLE: Lauric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Lauric acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY POULHZVOKOAJMA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021590 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001288.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001288.txt index 1b454ca28b4..f400096d296 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001288.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001288.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001288 -RECORD_TITLE: Lauric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Lauric acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY POULHZVOKOAJMA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021590 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001289.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001289.txt index c6d0bdd52bc..8e929ef2097 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001289.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001289.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001289 -RECORD_TITLE: Lauric acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Lauric acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY POULHZVOKOAJMA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021590 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001290.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001290.txt index 9b4783af5ec..12bc4ec9887 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001290.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001290.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001290 -RECORD_TITLE: S-Lactoylglutathione; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: S-Lactoylglutathione; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440018 CH$LINK: INCHIKEY VDYDCVUWILIYQF-CSMHCCOUSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001291.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001291.txt index 839bb0da85c..fa013f8a156 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001291.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001291.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001291 -RECORD_TITLE: S-Lactoylglutathione; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: S-Lactoylglutathione; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440018 CH$LINK: INCHIKEY VDYDCVUWILIYQF-CSMHCCOUSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001292.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001292.txt index a5f050a45a6..d64cda3a9d9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001292.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001292.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001292 -RECORD_TITLE: S-Lactoylglutathione; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: S-Lactoylglutathione; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440018 CH$LINK: INCHIKEY VDYDCVUWILIYQF-CSMHCCOUSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001293.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001293.txt index bcf7a6e25ef..513b491df30 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001293.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001293.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001293 -RECORD_TITLE: S-Lactoylglutathione; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: S-Lactoylglutathione; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440018 CH$LINK: INCHIKEY VDYDCVUWILIYQF-CSMHCCOUSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001294.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001294.txt index 9067590221b..18c94f0a870 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001294.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001294.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001294 -RECORD_TITLE: S-Lactoylglutathione; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: S-Lactoylglutathione; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440018 CH$LINK: INCHIKEY VDYDCVUWILIYQF-CSMHCCOUSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001295.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001295.txt index cc6b64e5939..896b32065dc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001295.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001295.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001295 -RECORD_TITLE: Linoleic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Linoleic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY OYHQOLUKZRVURQ-HZJYTTRNSA-N CH$LINK: COMPTOX DTXSID2025505 CH$LINK: ChemOnt CHEMONTID:0000504; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001296.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001296.txt index 0ad699de848..8f95891d863 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001296.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001296.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001296 -RECORD_TITLE: Linoleic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Linoleic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY OYHQOLUKZRVURQ-HZJYTTRNSA-N CH$LINK: COMPTOX DTXSID2025505 CH$LINK: ChemOnt CHEMONTID:0000504; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001297.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001297.txt index 82fa8b054dd..a57b320f3e6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001297.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001297.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001297 -RECORD_TITLE: Linoleic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Linoleic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY OYHQOLUKZRVURQ-HZJYTTRNSA-N CH$LINK: COMPTOX DTXSID2025505 CH$LINK: ChemOnt CHEMONTID:0000504; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001298.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001298.txt index f109a24757c..fcb0cd27a5f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001298.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001298.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001298 -RECORD_TITLE: Linoleic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Linoleic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY OYHQOLUKZRVURQ-HZJYTTRNSA-N CH$LINK: COMPTOX DTXSID2025505 CH$LINK: ChemOnt CHEMONTID:0000504; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001299.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001299.txt index c35b10f7ce1..670c8dd099e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001299.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001299.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001299 -RECORD_TITLE: Linoleic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Linoleic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY OYHQOLUKZRVURQ-HZJYTTRNSA-N CH$LINK: COMPTOX DTXSID2025505 CH$LINK: ChemOnt CHEMONTID:0000504; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001300.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001300.txt index 48dabe5c176..5d44b15f857 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001300.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001300.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001300 -RECORD_TITLE: Loganic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Loganic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JNNGEAWILNVFFD-CDJYTOATSA-N CH$LINK: COMPTOX DTXSID80944913 CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001301.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001301.txt index 1f424ac56be..4cf93446ec2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001301.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001301 -RECORD_TITLE: Loganic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Loganic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JNNGEAWILNVFFD-CDJYTOATSA-N CH$LINK: COMPTOX DTXSID80944913 CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001302.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001302.txt index ecc0a5f568a..b8091f0c60c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001302.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001302 -RECORD_TITLE: Loganic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Loganic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JNNGEAWILNVFFD-CDJYTOATSA-N CH$LINK: COMPTOX DTXSID80944913 CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001303.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001303.txt index 2f65e783658..bf3a4626f2a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001303.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001303 -RECORD_TITLE: Loganic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Loganic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JNNGEAWILNVFFD-CDJYTOATSA-N CH$LINK: COMPTOX DTXSID80944913 CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001304.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001304.txt index df25c130fff..82abe301814 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001304.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001304 -RECORD_TITLE: Loganic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Loganic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JNNGEAWILNVFFD-CDJYTOATSA-N CH$LINK: COMPTOX DTXSID80944913 CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001305.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001305.txt index be88b2240eb..8cc2218aca1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001305.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001305 -RECORD_TITLE: Malic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Malic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY BJEPYKJPYRNKOW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID30273987 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001306.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001306.txt index 5e75f46b01b..eb437ea9095 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001306.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001306.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001306 -RECORD_TITLE: Malic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Malic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY BJEPYKJPYRNKOW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID30273987 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001307.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001307.txt index 90e447bb412..092aced0281 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001307.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001307 -RECORD_TITLE: Malic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Malic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY BJEPYKJPYRNKOW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID30273987 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001308.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001308.txt index 17810cc70cb..cf2d456bc6a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001308.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001308.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001308 -RECORD_TITLE: Malic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Malic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY BJEPYKJPYRNKOW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID30273987 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001309.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001309.txt index 874b70b7e3c..a032c336db3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001309.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001309.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001309 -RECORD_TITLE: Malic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Malic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY BJEPYKJPYRNKOW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID30273987 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001310.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001310.txt index 3c3f3cafebb..0b775a09e41 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001310.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001310.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001310 -RECORD_TITLE: L-Methionine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-Methionine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY FFEARJCKVFRZRR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5040548 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001311.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001311.txt index 60194aeb08f..190e5808607 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001311.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001311.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001311 -RECORD_TITLE: L-Methionine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-Methionine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY FFEARJCKVFRZRR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5040548 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001312.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001312.txt index 4fa77b5f113..523d7f4f546 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001312.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001312.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001312 -RECORD_TITLE: L-Methionine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-Methionine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY FFEARJCKVFRZRR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5040548 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001313.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001313.txt index b284659aa5b..99de54dcb55 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001313.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001313.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001313 -RECORD_TITLE: L-Methionine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: L-Methionine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY FFEARJCKVFRZRR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5040548 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001314.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001314.txt index 7ae4c8d4d84..e5d452cefce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001314.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001314.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001314 -RECORD_TITLE: L-Methionine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: L-Methionine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY FFEARJCKVFRZRR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5040548 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001315.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001315.txt index 2805a16e58c..814fcb6e6fd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001315.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001315.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001315 -RECORD_TITLE: Ketovaline; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Ketovaline; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY QHKABHOOEWYVLI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6061078 CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001316.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001316.txt index 3cf9d288fe7..e0a0c0e6038 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001316.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001316.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001316 -RECORD_TITLE: Ketovaline; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Ketovaline; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY QHKABHOOEWYVLI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6061078 CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001317.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001317.txt index dcb8c89dd9a..066513302cf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001317.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001317.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001317 -RECORD_TITLE: Ketovaline; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Ketovaline; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY QHKABHOOEWYVLI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6061078 CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001318.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001318.txt index 9557171f426..0dfb4be66bc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001318.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001318.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001318 -RECORD_TITLE: Ketovaline; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Ketovaline; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY QHKABHOOEWYVLI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6061078 CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001319.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001319.txt index d3ad6719303..9794519c99d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001319.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001319.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001319 -RECORD_TITLE: Ketoleucine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Ketoleucine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BKAJNAXTPSGJCU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6061157 CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001320.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001320.txt index e5e27c4d402..e6f8246a631 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001320.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001320.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001320 -RECORD_TITLE: Ketoleucine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Ketoleucine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BKAJNAXTPSGJCU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6061157 CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001321.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001321.txt index 38b31680919..591245aaec5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001321.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001321.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001321 -RECORD_TITLE: Ketoleucine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Ketoleucine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BKAJNAXTPSGJCU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6061157 CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001322.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001322.txt index 87d64e2cea8..65ad6c8e2c4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001322.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001322.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001322 -RECORD_TITLE: Ketoleucine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Ketoleucine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BKAJNAXTPSGJCU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6061157 CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001323.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001323.txt index 23647517838..3dfad8bf567 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001323.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001323.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001323 -RECORD_TITLE: Ketoleucine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Ketoleucine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BKAJNAXTPSGJCU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6061157 CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001324.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001324.txt index f04a27e54ca..70e44af466a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001324.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001324.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001324 -RECORD_TITLE: D-Mannose-6-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: D-Mannose-6-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:65127 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-QTVWNMPRSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001325.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001325.txt index ffd08cdf086..c237ccf04c9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001325.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001325.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001325 -RECORD_TITLE: D-Mannose-6-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: D-Mannose-6-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:65127 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-QTVWNMPRSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001326.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001326.txt index 6bca334b14d..3bb2d7930ea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001326.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001326.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001326 -RECORD_TITLE: D-Mannose-6-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: D-Mannose-6-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:65127 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-QTVWNMPRSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001327.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001327.txt index d019d4a5544..cc9bfd0f833 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001327.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001327.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001327 -RECORD_TITLE: D-Mannose-6-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: D-Mannose-6-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:65127 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-QTVWNMPRSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001328.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001328.txt index 77ada221fd5..9a52f824a54 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001328.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001328.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001328 -RECORD_TITLE: DL-threo-beta-Methylaspartic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: DL-threo-beta-Methylaspartic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440064 CH$LINK: INCHIKEY LXRUAYBIUSUULX-HRFVKAFMSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001329.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001329.txt index 78907bf561c..a397aae0be1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001329.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001329.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001329 -RECORD_TITLE: DL-threo-beta-Methylaspartic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: DL-threo-beta-Methylaspartic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440064 CH$LINK: INCHIKEY LXRUAYBIUSUULX-HRFVKAFMSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001330.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001330.txt index 1b16051aad9..b2302d33065 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001330.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001330.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001330 -RECORD_TITLE: DL-threo-beta-Methylaspartic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: DL-threo-beta-Methylaspartic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440064 CH$LINK: INCHIKEY LXRUAYBIUSUULX-HRFVKAFMSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001331.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001331.txt index 77c28552c32..edf2764243e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001331.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001331.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001331 -RECORD_TITLE: DL-threo-beta-Methylaspartic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: DL-threo-beta-Methylaspartic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440064 CH$LINK: INCHIKEY LXRUAYBIUSUULX-HRFVKAFMSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001332.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001332.txt index ce32750aa7e..72faa100056 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001332.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001332.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001332 -RECORD_TITLE: DL-threo-beta-Methylaspartic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: DL-threo-beta-Methylaspartic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440064 CH$LINK: INCHIKEY LXRUAYBIUSUULX-HRFVKAFMSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001333.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001333.txt index 3433ed5f643..756176e4199 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001333.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001333.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001333 -RECORD_TITLE: Malonic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Malonic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY OFOBLEOULBTSOW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021659 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001334.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001334.txt index 9b26c0a3b91..bedacfd9a9e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001334.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001334.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001334 -RECORD_TITLE: Malonic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Malonic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY OFOBLEOULBTSOW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021659 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001335.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001335.txt index a023b90fb60..f9a2448c7ea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001335.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001335.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001335 -RECORD_TITLE: Malonic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Malonic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY OFOBLEOULBTSOW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021659 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001336.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001336.txt index a556e8c5213..e82f07d0504 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001336.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001336.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001336 -RECORD_TITLE: Malonic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Malonic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY OFOBLEOULBTSOW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021659 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001337.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001337.txt index 9c8c0dc60e7..72746466c49 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001337.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001337.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001337 -RECORD_TITLE: Malonic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Malonic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY OFOBLEOULBTSOW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021659 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001338.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001338.txt index e61b8036ac4..b730953e38b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001338.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001338.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001338 -RECORD_TITLE: Methylmalonic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Methylmalonic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ZIYVHBGGAOATLY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00199549 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001339.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001339.txt index 9d3c27da1a4..64e776d28e1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001339.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001339.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001339 -RECORD_TITLE: Methylmalonic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Methylmalonic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ZIYVHBGGAOATLY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00199549 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001340.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001340.txt index 06a777d84a7..af9410a6c95 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001340.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001340.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001340 -RECORD_TITLE: Methylmalonic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Methylmalonic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ZIYVHBGGAOATLY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00199549 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001341.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001341.txt index 498746dbd58..64c730ebf6a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001341.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001341.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001341 -RECORD_TITLE: Methylmalonic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Methylmalonic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ZIYVHBGGAOATLY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00199549 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001342.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001342.txt index f77deb9b7f1..5c06325786c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001342.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001342.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001342 -RECORD_TITLE: Methylmalonic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Methylmalonic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ZIYVHBGGAOATLY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00199549 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001343.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001343.txt index 081f92cec74..f892209d76f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001343.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001343.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001343 -RECORD_TITLE: 1-Methylhydantoin; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 1-Methylhydantoin; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY RHYBFKMFHLPQPH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90210595 CH$LINK: ChemOnt CHEMONTID:0000079; Organic compounds; Organoheterocyclic compounds; Azolines; Imidazolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001344.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001344.txt index e85cb9d0ca3..2a30474150c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001344.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001344.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001344 -RECORD_TITLE: 1-Methylhydantoin; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 1-Methylhydantoin; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY RHYBFKMFHLPQPH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90210595 CH$LINK: ChemOnt CHEMONTID:0000079; Organic compounds; Organoheterocyclic compounds; Azolines; Imidazolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001345.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001345.txt index 6d416e6b6cc..2fee96c5bf2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001345.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001345.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001345 -RECORD_TITLE: 1-Methylhydantoin; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 1-Methylhydantoin; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY RHYBFKMFHLPQPH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90210595 CH$LINK: ChemOnt CHEMONTID:0000079; Organic compounds; Organoheterocyclic compounds; Azolines; Imidazolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001346.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001346.txt index 9f82cefbc78..61f254f8aea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001346.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001346.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001346 -RECORD_TITLE: 1-Methylhydantoin; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 1-Methylhydantoin; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY RHYBFKMFHLPQPH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90210595 CH$LINK: ChemOnt CHEMONTID:0000079; Organic compounds; Organoheterocyclic compounds; Azolines; Imidazolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001347.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001347.txt index 0820ce0069f..871cc6736d4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001347.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001347.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001347 -RECORD_TITLE: 1-Methylhydantoin; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 1-Methylhydantoin; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY RHYBFKMFHLPQPH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90210595 CH$LINK: ChemOnt CHEMONTID:0000079; Organic compounds; Organoheterocyclic compounds; Azolines; Imidazolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001348.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001348.txt index 086e759e85b..f423ac4d946 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001348.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001348.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001348 -RECORD_TITLE: 4-Methylbenzoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 4-Methylbenzoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY LPNBBFKOUUSUDB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021618 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001349.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001349.txt index c587c530ab1..f1365abe76a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001349.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001349.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001349 -RECORD_TITLE: 4-Methylbenzoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 4-Methylbenzoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY LPNBBFKOUUSUDB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021618 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001350.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001350.txt index 22678a442d7..a9be31135e4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001350.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001350.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001350 -RECORD_TITLE: 4-Methylbenzoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 4-Methylbenzoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY LPNBBFKOUUSUDB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021618 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001351.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001351.txt index a9bb6b2f041..644888d6aab 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001351.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001351.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001351 -RECORD_TITLE: 4-Methylbenzoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 4-Methylbenzoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY LPNBBFKOUUSUDB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021618 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001352.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001352.txt index 31d6521045e..79b509c529c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001352.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001352.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001352 -RECORD_TITLE: 3-Methylbenzoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 3-Methylbenzoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY GPSDUZXPYCFOSQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021617 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001353.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001353.txt index eb0c487ce89..d2cde714287 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001353.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001353.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001353 -RECORD_TITLE: 3-Methylbenzoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 3-Methylbenzoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY GPSDUZXPYCFOSQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021617 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001354.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001354.txt index b1a6f656eaf..7a6515f12cf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001354.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001354.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001354 -RECORD_TITLE: 3-Methylbenzoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 3-Methylbenzoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY GPSDUZXPYCFOSQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021617 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001355.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001355.txt index 9ba5ebd6d2f..7527287f88e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001355.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001355.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001355 -RECORD_TITLE: 3-Methylbenzoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 3-Methylbenzoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY GPSDUZXPYCFOSQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021617 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001356.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001356.txt index 6fda89e208b..cfb95d3c33b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001356.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001356.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001356 -RECORD_TITLE: Methanesulfonic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Methanesulfonic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY AFVFQIVMOAPDHO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026422 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001357.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001357.txt index a8ad0acf820..55c10303d06 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001357.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001357.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001357 -RECORD_TITLE: Methanesulfonic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Methanesulfonic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY AFVFQIVMOAPDHO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026422 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001358.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001358.txt index 0fbaf70eb55..f21f923be75 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001358.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001358.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001358 -RECORD_TITLE: Methanesulfonic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Methanesulfonic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY AFVFQIVMOAPDHO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026422 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001359.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001359.txt index 29124311649..0f255fda22f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001359.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001359.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001359 -RECORD_TITLE: Methanesulfonic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Methanesulfonic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY AFVFQIVMOAPDHO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026422 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001360.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001360.txt index 058a1f54c8c..d8c060fb674 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001360.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001360.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001360 -RECORD_TITLE: Methanesulfonic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Methanesulfonic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY AFVFQIVMOAPDHO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026422 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001361.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001361.txt index 426f463fb91..5d32f8dbc77 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001361.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001361.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001361 -RECORD_TITLE: Maleic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Maleic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY VZCYOOQTPOCHFL-UPHRSURJSA-N CH$LINK: COMPTOX DTXSID8021517 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001362.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001362.txt index 883da3a1c73..1e410242ce3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001362.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001362.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001362 -RECORD_TITLE: Maleic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Maleic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY VZCYOOQTPOCHFL-UPHRSURJSA-N CH$LINK: COMPTOX DTXSID8021517 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001363.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001363.txt index bc054a1f311..a124ec7df5f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001363.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001363.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001363 -RECORD_TITLE: Maleic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Maleic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY VZCYOOQTPOCHFL-UPHRSURJSA-N CH$LINK: COMPTOX DTXSID8021517 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001364.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001364.txt index 09c45ac5477..c2b0aa013b1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001364.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001364.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001364 -RECORD_TITLE: Maleic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Maleic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY VZCYOOQTPOCHFL-UPHRSURJSA-N CH$LINK: COMPTOX DTXSID8021517 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001365.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001365.txt index 8b306f5fc2f..79f7a542cc9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001365.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001365.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001365 -RECORD_TITLE: Maleic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Maleic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY VZCYOOQTPOCHFL-UPHRSURJSA-N CH$LINK: COMPTOX DTXSID8021517 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001366.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001366.txt index 1a14753cd99..489e348cd32 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001366.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001366.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001366 -RECORD_TITLE: N-Methyl-DL-Alanine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: N-Methyl-DL-Alanine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY GDFAOVXKHJXLEI-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30959936 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001367.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001367.txt index 4c35b7b3433..80bd3e0e26c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001367.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001367.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001367 -RECORD_TITLE: N-Methyl-DL-Alanine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: N-Methyl-DL-Alanine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY GDFAOVXKHJXLEI-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30959936 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001368.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001368.txt index 5d85de343ed..a40bb1c4d2e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001368.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001368.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001368 -RECORD_TITLE: N-Methyl-DL-Alanine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: N-Methyl-DL-Alanine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY GDFAOVXKHJXLEI-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30959936 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001369.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001369.txt index 1ee952f7669..5568188648a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001369.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001369.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001369 -RECORD_TITLE: Minoxidil; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Minoxidil; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY ZFMITUMMTDLWHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9040685 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001370.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001370.txt index 6320d6281f9..1612c7cfd53 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001370.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001370.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001370 -RECORD_TITLE: Minoxidil; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Minoxidil; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY ZFMITUMMTDLWHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9040685 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001371.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001371.txt index 33c1fbb32ff..2416fc0f6ac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001371.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001371.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001371 -RECORD_TITLE: Minoxidil; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Minoxidil; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY ZFMITUMMTDLWHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9040685 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001372.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001372.txt index 1b5c07a37e4..811ba117078 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001372.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001372.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001372 -RECORD_TITLE: Minoxidil; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Minoxidil; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY ZFMITUMMTDLWHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9040685 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001373.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001373.txt index c1b31828de7..fd22003264e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001373.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001373.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001373 -RECORD_TITLE: Minoxidil; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Minoxidil; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY ZFMITUMMTDLWHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9040685 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001374.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001374.txt index 8a682abad10..04bf2c40555 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001374.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001374.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001374 -RECORD_TITLE: Milrinone; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Milrinone; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PZRHRDRVRGEVNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023324 CH$LINK: ChemOnt CHEMONTID:0000326; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001375.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001375.txt index f9655536e3f..5c16066963b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001375.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001375.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001375 -RECORD_TITLE: Milrinone; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Milrinone; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PZRHRDRVRGEVNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023324 CH$LINK: ChemOnt CHEMONTID:0000326; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001376.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001376.txt index df7abb98a01..b9a04b9f08e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001376.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001376.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001376 -RECORD_TITLE: Milrinone; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Milrinone; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PZRHRDRVRGEVNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023324 CH$LINK: ChemOnt CHEMONTID:0000326; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001377.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001377.txt index 4a9112d33ce..6893080f905 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001377.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001377.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001377 -RECORD_TITLE: Milrinone; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Milrinone; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PZRHRDRVRGEVNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023324 CH$LINK: ChemOnt CHEMONTID:0000326; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001378.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001378.txt index f4b2d5ada7e..e2cbcc22592 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001378.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001378.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001378 -RECORD_TITLE: Milrinone; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Milrinone; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PZRHRDRVRGEVNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023324 CH$LINK: ChemOnt CHEMONTID:0000326; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001379.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001379.txt index fe67af459a3..c1134bf6e76 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001379.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001379.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001379 -RECORD_TITLE: 5-Methoxytryptamine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 5-Methoxytryptamine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JTEJPPKMYBDEMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60209638 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001380.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001380.txt index eda170ef46a..bd4fbf5847d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001380.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001380.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001380 -RECORD_TITLE: 5-Methoxytryptamine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 5-Methoxytryptamine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JTEJPPKMYBDEMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60209638 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001381.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001381.txt index fc133ffe7ff..beaaa5e6493 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001381.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001381.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001381 -RECORD_TITLE: 5-Methoxytryptamine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 5-Methoxytryptamine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JTEJPPKMYBDEMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60209638 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001382.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001382.txt index 7a5c1087845..4e41440c850 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001382.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001382.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001382 -RECORD_TITLE: 5-Methoxytryptamine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 5-Methoxytryptamine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JTEJPPKMYBDEMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60209638 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001383.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001383.txt index 92cf8d19ffa..50af7d66d87 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001383.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001383.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001383 -RECORD_TITLE: 5-Methoxytryptamine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 5-Methoxytryptamine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JTEJPPKMYBDEMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60209638 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001384.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001384.txt index e7aa8557eca..fa27e25bcf8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001384.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001384.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001384 -RECORD_TITLE: Myristic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Myristic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY TUNFSRHWOTWDNC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021666 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001385.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001385.txt index f1f663a17a4..d41c5d87a16 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001385.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001385.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001385 -RECORD_TITLE: Myristic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Myristic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY TUNFSRHWOTWDNC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021666 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001386.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001386.txt index 9a762fb1c63..af313ce53f9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001386.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001386.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001386 -RECORD_TITLE: Myristic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Myristic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY TUNFSRHWOTWDNC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021666 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001387.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001387.txt index cb507cc873d..a1457a89139 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001387.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001387.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001387 -RECORD_TITLE: Myristic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Myristic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY TUNFSRHWOTWDNC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021666 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001388.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001388.txt index 4b8822660bb..8b8919d54a4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001388.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001388.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001388 -RECORD_TITLE: Myristic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Myristic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY TUNFSRHWOTWDNC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021666 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001389.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001389.txt index 61541c9bdbe..4520a61fbcf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001389.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001389.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001389 -RECORD_TITLE: 3-Methylguanine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 3-Methylguanine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY XHBSBNYEHDQRCP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90183755 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001390.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001390.txt index ef7a469ba99..244966a8f7d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001390.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001390.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001390 -RECORD_TITLE: 3-Methylguanine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 3-Methylguanine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY XHBSBNYEHDQRCP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90183755 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001391.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001391.txt index 7fbe67247f2..7f59e02b860 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001391.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001391.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001391 -RECORD_TITLE: 3-Methylguanine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 3-Methylguanine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY XHBSBNYEHDQRCP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90183755 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001392.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001392.txt index 9274f672ced..017631bddbe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001392.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001392.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001392 -RECORD_TITLE: 3-Methylguanine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 3-Methylguanine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY XHBSBNYEHDQRCP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90183755 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001393.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001393.txt index b73b9d5ae57..489e4f301a1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001393.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001393.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001393 -RECORD_TITLE: 3-Methylguanine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 3-Methylguanine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY XHBSBNYEHDQRCP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90183755 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001394.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001394.txt index 383486128d7..598c0ed61fe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001394.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001394.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001394 -RECORD_TITLE: 7-Methylguanine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 7-Methylguanine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FZWGECJQACGGTI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020873 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001395.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001395.txt index abc92bd811c..1bc0cf46bd9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001395.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001395.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001395 -RECORD_TITLE: 7-Methylguanine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 7-Methylguanine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FZWGECJQACGGTI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020873 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001396.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001396.txt index de7281f6041..63648e1ca92 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001396.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001396.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001396 -RECORD_TITLE: 7-Methylguanine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 7-Methylguanine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FZWGECJQACGGTI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020873 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001397.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001397.txt index be8edff4d61..782588fd3e6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001397.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001397.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001397 -RECORD_TITLE: 7-Methylguanine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 7-Methylguanine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FZWGECJQACGGTI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020873 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001398.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001398.txt index 37e02a6f09d..930127c70d8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001398.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001398.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001398 -RECORD_TITLE: 7-Methylguanine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 7-Methylguanine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FZWGECJQACGGTI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020873 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001399.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001399.txt index a417daca613..426acb1562f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001399.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001399.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001399 -RECORD_TITLE: Myristoleic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Myristoleic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY YWWVWXASSLXJHU-AATRIKPKSA-N CH$LINK: COMPTOX DTXSID901009351 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001400.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001400.txt index 93623a272cd..5914ad9c50a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001400.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001400.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001400 -RECORD_TITLE: Myristoleic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Myristoleic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY YWWVWXASSLXJHU-WAYWQWQTSA-N CH$LINK: COMPTOX DTXSID5041568 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001401.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001401.txt index 55afec58078..ebc5a354f37 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001401.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001401 -RECORD_TITLE: Myristoleic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Myristoleic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY YWWVWXASSLXJHU-WAYWQWQTSA-N CH$LINK: COMPTOX DTXSID5041568 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001402.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001402.txt index 1c6b75d769b..8b7d7ecb95a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001402.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001402 -RECORD_TITLE: Myristoleic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Myristoleic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY YWWVWXASSLXJHU-WAYWQWQTSA-N CH$LINK: COMPTOX DTXSID5041568 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001403.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001403.txt index e83e36519e8..60044a1ed74 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001403.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001403 -RECORD_TITLE: Myristoleic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Myristoleic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY YWWVWXASSLXJHU-WAYWQWQTSA-N CH$LINK: COMPTOX DTXSID5041568 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001404.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001404.txt index 6849d7196d4..fb6b34add57 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001404.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001404 -RECORD_TITLE: 4-Methylpentanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 4-Methylpentanoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY FGKJLKRYENPLQH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8060951 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001405.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001405.txt index 397c456c477..9a88edeb5a5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001405.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001405 -RECORD_TITLE: 4-Methylpentanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 4-Methylpentanoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY FGKJLKRYENPLQH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8060951 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001406.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001406.txt index 40921d704f3..f2b4e8f4ce1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001406.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001406.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001406 -RECORD_TITLE: 4-Methylpentanoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 4-Methylpentanoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY FGKJLKRYENPLQH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8060951 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001407.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001407.txt index 4e7760c44ed..df888a8da40 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001407.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001407 -RECORD_TITLE: Melatonin; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Melatonin; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DRLFMBDRBRZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022421 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001408.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001408.txt index 234b907aee2..f595f232f4a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001408.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001408 -RECORD_TITLE: Melatonin; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Melatonin; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DRLFMBDRBRZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022421 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001409.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001409.txt index b816464053e..661fe754964 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001409.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001409 -RECORD_TITLE: Melatonin; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Melatonin; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DRLFMBDRBRZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022421 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001410.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001410.txt index 417e443fd6f..d361fcb71fd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001410.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001410.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001410 -RECORD_TITLE: Melatonin; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Melatonin; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DRLFMBDRBRZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022421 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001411.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001411.txt index 0e90f754922..c1d79e9fd79 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001411.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001411.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001411 -RECORD_TITLE: Melatonin; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Melatonin; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DRLFMBDRBRZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022421 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001412.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001412.txt index 42b741f7e1a..ba2f9d887e0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001412.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001412.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001412 -RECORD_TITLE: 6-Mercaptopurine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 6-Mercaptopurine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GLVAUDGFNGKCSF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020810 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001413.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001413.txt index b3cdf3ddd2b..3c64da2cc27 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001413.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001413.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001413 -RECORD_TITLE: 6-Mercaptopurine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 6-Mercaptopurine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GLVAUDGFNGKCSF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020810 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001414.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001414.txt index 07c091145a6..8829fc08452 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001414.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001414.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001414 -RECORD_TITLE: 6-Mercaptopurine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 6-Mercaptopurine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GLVAUDGFNGKCSF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020810 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001415.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001415.txt index 5fab2a26176..802234879b9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001415.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001415.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001415 -RECORD_TITLE: 6-Mercaptopurine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 6-Mercaptopurine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GLVAUDGFNGKCSF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020810 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001416.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001416.txt index 7293ac55772..1614076a2c8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001416.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001416.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001416 -RECORD_TITLE: 6-Mercaptopurine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 6-Mercaptopurine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GLVAUDGFNGKCSF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020810 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001417.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001417.txt index 62a67f2cc47..2983179864a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001417.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001417.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001417 -RECORD_TITLE: (S)-Mandelic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: (S)-Mandelic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439616 CH$LINK: INCHIKEY IWYDHOAUDWTVEP-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001418.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001418.txt index f69107b56a2..3f7a0ef3b2c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001418.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001418.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001418 -RECORD_TITLE: (S)-Mandelic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: (S)-Mandelic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439616 CH$LINK: INCHIKEY IWYDHOAUDWTVEP-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001419.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001419.txt index 50f0953fdb3..8e07c45517a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001419.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001419.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001419 -RECORD_TITLE: (S)-Mandelic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: (S)-Mandelic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439616 CH$LINK: INCHIKEY IWYDHOAUDWTVEP-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001420.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001420.txt index d40551dd600..41e8424542d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001420.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001420.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001420 -RECORD_TITLE: (S)-Mandelic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: (S)-Mandelic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439616 CH$LINK: INCHIKEY IWYDHOAUDWTVEP-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001421.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001421.txt index 9bcbf542182..734987e6971 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001421.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001421.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001421 -RECORD_TITLE: (S)-Mandelic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: (S)-Mandelic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439616 CH$LINK: INCHIKEY IWYDHOAUDWTVEP-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001422.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001422.txt index ec3327fd5b4..e308faabdaf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001422.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001422.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001422 -RECORD_TITLE: Methyl sulfate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Methyl sulfate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JZMJDSHXVKJFKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047983 CH$LINK: ChemOnt CHEMONTID:0003455; Organic compounds; Organic acids and derivatives; Organic sulfuric acids and derivatives; Sulfuric acid esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001423.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001423.txt index 4b398aedf43..b7552a8a3b0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001423.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001423.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001423 -RECORD_TITLE: Methyl sulfate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Methyl sulfate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JZMJDSHXVKJFKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047983 CH$LINK: ChemOnt CHEMONTID:0003455; Organic compounds; Organic acids and derivatives; Organic sulfuric acids and derivatives; Sulfuric acid esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001424.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001424.txt index fd544139dc3..20533391192 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001424.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001424.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001424 -RECORD_TITLE: Methyl sulfate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Methyl sulfate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JZMJDSHXVKJFKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047983 CH$LINK: ChemOnt CHEMONTID:0003455; Organic compounds; Organic acids and derivatives; Organic sulfuric acids and derivatives; Sulfuric acid esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001425.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001425.txt index cb387934aeb..3e7b9a33856 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001425.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001425.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001425 -RECORD_TITLE: Methyl sulfate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Methyl sulfate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JZMJDSHXVKJFKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047983 CH$LINK: ChemOnt CHEMONTID:0003455; Organic compounds; Organic acids and derivatives; Organic sulfuric acids and derivatives; Sulfuric acid esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001426.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001426.txt index e01bbb7998f..52dface23b3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001426.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001426.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001426 -RECORD_TITLE: Methyl sulfate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Methyl sulfate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JZMJDSHXVKJFKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047983 CH$LINK: ChemOnt CHEMONTID:0003455; Organic compounds; Organic acids and derivatives; Organic sulfuric acids and derivatives; Sulfuric acid esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001427.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001427.txt index 4ed2ad8375c..e6f11a5712f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001427.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001427.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001427 -RECORD_TITLE: Mucic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Mucic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DSLZVSRJTYRBFB-DUHBMQHGSA-N CH$LINK: COMPTOX DTXSID7048740 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001428.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001428.txt index 4dbabe06711..478ec6f8d9d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001428.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001428.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001428 -RECORD_TITLE: Mucic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Mucic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DSLZVSRJTYRBFB-DUHBMQHGSA-N CH$LINK: COMPTOX DTXSID7048740 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001429.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001429.txt index ba7f7ae23c7..09d24c0cb55 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001429.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001429.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001429 -RECORD_TITLE: Mucic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Mucic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DSLZVSRJTYRBFB-DUHBMQHGSA-N CH$LINK: COMPTOX DTXSID7048740 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001430.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001430.txt index c72a6605274..e28fb1c8e30 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001430.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001430.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001430 -RECORD_TITLE: Mucic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Mucic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DSLZVSRJTYRBFB-DUHBMQHGSA-N CH$LINK: COMPTOX DTXSID7048740 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001431.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001431.txt index f86d79e40bf..6ecd4007f19 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001431.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001431.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001431 -RECORD_TITLE: Mucic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Mucic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DSLZVSRJTYRBFB-DUHBMQHGSA-N CH$LINK: COMPTOX DTXSID7048740 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001432.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001432.txt index 2fca476e4a5..f8ea16f968a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001432.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001432.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001432 -RECORD_TITLE: N-Methylglutamic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: N-Methylglutamic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:439377 CH$LINK: INCHIKEY XLBVNMSMFQMKEY-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001433.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001433.txt index 5e321863655..45cf2465a7a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001433.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001433.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001433 -RECORD_TITLE: N-Methylglutamic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: N-Methylglutamic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:439377 CH$LINK: INCHIKEY XLBVNMSMFQMKEY-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001434.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001434.txt index 213d65665cf..1e731265a79 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001434.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001434.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001434 -RECORD_TITLE: N-Methylglutamic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: N-Methylglutamic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:439377 CH$LINK: INCHIKEY XLBVNMSMFQMKEY-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001435.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001435.txt index afa9b510d39..a7bfa5550fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001435.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001435.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001435 -RECORD_TITLE: N-Methylglutamic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: N-Methylglutamic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:439377 CH$LINK: INCHIKEY XLBVNMSMFQMKEY-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001436.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001436.txt index 6f4144bb0a4..08be3d78674 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001436.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001436.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001436 -RECORD_TITLE: N-Methylglutamic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: N-Methylglutamic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:439377 CH$LINK: INCHIKEY XLBVNMSMFQMKEY-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001437.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001437.txt index 74a72ab5a72..008ea970af4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001437.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001437.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001437 -RECORD_TITLE: L-(-)-Mandelic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-(-)-Mandelic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY IWYDHOAUDWTVEP-SSDOTTSWSA-N CH$LINK: COMPTOX DTXSID4046523 CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001438.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001438.txt index 4c3b62cfd2f..9cf0eef5062 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001438.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001438.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001438 -RECORD_TITLE: L-(-)-Mandelic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-(-)-Mandelic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY IWYDHOAUDWTVEP-SSDOTTSWSA-N CH$LINK: COMPTOX DTXSID4046523 CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001439.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001439.txt index 4ef517dee3c..63e24802338 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001439.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001439.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001439 -RECORD_TITLE: L-(-)-Mandelic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-(-)-Mandelic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY IWYDHOAUDWTVEP-SSDOTTSWSA-N CH$LINK: COMPTOX DTXSID4046523 CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001440.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001440.txt index 43bad7ceafb..98725f04065 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001440.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001440.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001440 -RECORD_TITLE: L-(-)-Mandelic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: L-(-)-Mandelic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY IWYDHOAUDWTVEP-SSDOTTSWSA-N CH$LINK: COMPTOX DTXSID4046523 CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001441.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001441.txt index 87358b53cda..00ed5ee3459 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001441.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001441.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001441 -RECORD_TITLE: L-(-)-Mandelic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: L-(-)-Mandelic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY IWYDHOAUDWTVEP-SSDOTTSWSA-N CH$LINK: COMPTOX DTXSID4046523 CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001442.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001442.txt index 612ab1bdcb5..78d14831336 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001442.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001442.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001442 -RECORD_TITLE: 6-Methylaminopurine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 6-Methylaminopurine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY CKOMXBHMKXXTNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020857 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001443.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001443.txt index c739eb2bd16..ac1b5e89b07 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001443.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001443.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001443 -RECORD_TITLE: 6-Methylaminopurine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 6-Methylaminopurine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY CKOMXBHMKXXTNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020857 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001444.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001444.txt index 01ea8dcc144..ef835ce2b97 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001444.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001444.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001444 -RECORD_TITLE: 6-Methylaminopurine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 6-Methylaminopurine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY CKOMXBHMKXXTNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020857 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001445.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001445.txt index 3a584c7416b..1ed33bce27d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001445.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001445.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001445 -RECORD_TITLE: 6-Methylaminopurine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 6-Methylaminopurine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY CKOMXBHMKXXTNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020857 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001446.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001446.txt index 41cda33b1f2..bc5b34c5a42 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001446.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001446.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001446 -RECORD_TITLE: 6-Methylaminopurine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 6-Methylaminopurine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY CKOMXBHMKXXTNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020857 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001447.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001447.txt index 4d83785234c..91a91c791f5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001447.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001447.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001447 -RECORD_TITLE: 1-Methyladenine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 1-Methyladenine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:135398646 CH$LINK: INCHIKEY SATCOUWSAZBIJO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001448.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001448.txt index 7dd15fb557b..9cf351a0f1b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001448.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001448.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001448 -RECORD_TITLE: 1-Methyladenine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 1-Methyladenine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:135398646 CH$LINK: INCHIKEY SATCOUWSAZBIJO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001449.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001449.txt index 4c2d238a227..7e63c2cd050 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001449.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001449.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001449 -RECORD_TITLE: 1-Methyladenine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 1-Methyladenine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:135398646 CH$LINK: INCHIKEY SATCOUWSAZBIJO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001450.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001450.txt index e7745948473..cb2709aabb3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001450.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001450.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001450 -RECORD_TITLE: 1-Methyladenine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 1-Methyladenine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:135398646 CH$LINK: INCHIKEY SATCOUWSAZBIJO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001451.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001451.txt index 478bba31f3a..5ddcac1a590 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001451.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001451.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001451 -RECORD_TITLE: 1-Methyladenine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 1-Methyladenine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:135398646 CH$LINK: INCHIKEY SATCOUWSAZBIJO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001452.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001452.txt index 5c821bd2bd4..08c887f33cb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001452.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001452.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001452 -RECORD_TITLE: 5-Methoxy-3-indoleacetic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 5-Methoxy-3-indoleacetic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY COCNDHOPIHDTHK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70188268 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001453.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001453.txt index 1d8b6a1e5f7..2ce266f6d02 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001453.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001453.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001453 -RECORD_TITLE: 5-Methoxy-3-indoleacetic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 5-Methoxy-3-indoleacetic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY COCNDHOPIHDTHK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70188268 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001454.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001454.txt index ea4db47560d..05005e52196 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001454.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001454.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001454 -RECORD_TITLE: 5-Methoxy-3-indoleacetic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 5-Methoxy-3-indoleacetic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY COCNDHOPIHDTHK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70188268 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001455.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001455.txt index 5e64a791eca..aa56d0ec8c8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001455.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001455.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001455 -RECORD_TITLE: 5-Methoxy-3-indoleacetic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 5-Methoxy-3-indoleacetic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY COCNDHOPIHDTHK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70188268 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001456.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001456.txt index f03ea545cfc..7a74ffbbad1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001456.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001456.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001456 -RECORD_TITLE: 5-Methoxy-3-indoleacetic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 5-Methoxy-3-indoleacetic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY COCNDHOPIHDTHK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70188268 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001457.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001457.txt index 2a33b93bb19..9713f926834 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001457.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001457.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001457 -RECORD_TITLE: alpha-D-(+)-mannose 1-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: alpha-D-(+)-mannose 1-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: KEGG C00636 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-RWOPYEJCSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001458.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001458.txt index 463aa18d48c..be1522d1a63 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001458.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001458.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001458 -RECORD_TITLE: alpha-D-(+)-mannose 1-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: alpha-D-(+)-mannose 1-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: KEGG C00636 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-RWOPYEJCSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001459.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001459.txt index 2fad0a77d5c..1f46857cf1f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001459.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001459.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001459 -RECORD_TITLE: alpha-D-(+)-mannose 1-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: alpha-D-(+)-mannose 1-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: KEGG C00636 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-RWOPYEJCSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001460.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001460.txt index c1a5c5b5f80..9079e9911e2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001460.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001460.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001460 -RECORD_TITLE: alpha-D-(+)-mannose 1-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: alpha-D-(+)-mannose 1-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: KEGG C00636 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-RWOPYEJCSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001461.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001461.txt index e316d378cf1..25cae784c6a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001461.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001461.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001461 -RECORD_TITLE: alpha-D-(+)-mannose 1-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: alpha-D-(+)-mannose 1-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: KEGG C00636 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-RWOPYEJCSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001462.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001462.txt index 74b2f5f35f6..b6880f9d3ce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001462.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001462.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001462 -RECORD_TITLE: Mefenamic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Mefenamic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY HYYBABOKPJLUIN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023243 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001463.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001463.txt index ca4cb17cc78..a7bc9253e2e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001463.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001463.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001463 -RECORD_TITLE: Mefenamic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Mefenamic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY HYYBABOKPJLUIN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023243 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001464.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001464.txt index e41dd913cb7..22ea38adeed 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001464.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001464.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001464 -RECORD_TITLE: Mefenamic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Mefenamic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY HYYBABOKPJLUIN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023243 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001465.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001465.txt index 4e5d95b29a9..b650a6c98dc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001465.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001465.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001465 -RECORD_TITLE: Mefenamic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Mefenamic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY HYYBABOKPJLUIN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023243 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001466.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001466.txt index f8434217fad..ce455c4b196 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001466.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001466.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001466 -RECORD_TITLE: Mefenamic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Mefenamic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY HYYBABOKPJLUIN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023243 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001467.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001467.txt index d253bc97e96..6fa7727824f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001467.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001467.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001467 -RECORD_TITLE: 6-Methylmercaptopurine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 6-Methylmercaptopurine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5778 CH$LINK: INCHIKEY UIJIQXGRFSPYQW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001468.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001468.txt index 3071ac09f5d..61a2cbd0ecf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001468.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001468.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001468 -RECORD_TITLE: 6-Methylmercaptopurine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 6-Methylmercaptopurine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5778 CH$LINK: INCHIKEY UIJIQXGRFSPYQW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001469.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001469.txt index 26b80c6ae3c..9008f0e5707 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001469.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001469.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001469 -RECORD_TITLE: 6-Methylmercaptopurine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 6-Methylmercaptopurine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5778 CH$LINK: INCHIKEY UIJIQXGRFSPYQW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001470.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001470.txt index f9d2e7e90c6..e15aaa77d3c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001470.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001470.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001470 -RECORD_TITLE: 6-Methylmercaptopurine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 6-Methylmercaptopurine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5778 CH$LINK: INCHIKEY UIJIQXGRFSPYQW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001471.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001471.txt index 1d49baac305..42e025e6770 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001471.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001471.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001471 -RECORD_TITLE: 6-Methylmercaptopurine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 6-Methylmercaptopurine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5778 CH$LINK: INCHIKEY UIJIQXGRFSPYQW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001472.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001472.txt index d527d8f030e..bd7030877f2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001472.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001472.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001472 -RECORD_TITLE: cis,cis-Muconic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: cis,cis-Muconic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:5280518 CH$LINK: INCHIKEY TXXHDPDFNKHHGW-CCAGOZQPSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001473.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001473.txt index 6ed6e1f0472..b4b0d5a625e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001473.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001473.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001473 -RECORD_TITLE: cis,cis-Muconic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: cis,cis-Muconic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:5280518 CH$LINK: INCHIKEY TXXHDPDFNKHHGW-CCAGOZQPSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001474.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001474.txt index aba8dfe7043..d110563e432 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001474.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001474.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001474 -RECORD_TITLE: cis,cis-Muconic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: cis,cis-Muconic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:5280518 CH$LINK: INCHIKEY TXXHDPDFNKHHGW-CCAGOZQPSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001475.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001475.txt index 5dfaee07890..39aae1beea7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001475.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001475.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001475 -RECORD_TITLE: cis,cis-Muconic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: cis,cis-Muconic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:5280518 CH$LINK: INCHIKEY TXXHDPDFNKHHGW-CCAGOZQPSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001476.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001476.txt index 60c42063a41..2b62307ef1a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001476.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001476.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001476 -RECORD_TITLE: cis,cis-Muconic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: cis,cis-Muconic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:5280518 CH$LINK: INCHIKEY TXXHDPDFNKHHGW-CCAGOZQPSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001477.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001477.txt index 931aad4dd97..d77a311a9c8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001477.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001477.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001477 -RECORD_TITLE: Methionine sulfoximine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Methionine sulfoximine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY SXTAYKAGBXMACB-DPVSGNNYSA-N CH$LINK: COMPTOX DTXSID30936181 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001478.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001478.txt index f6258854076..446eaf4a5fd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001478.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001478.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001478 -RECORD_TITLE: Methionine sulfoximine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Methionine sulfoximine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY SXTAYKAGBXMACB-DPVSGNNYSA-N CH$LINK: COMPTOX DTXSID30936181 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001479.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001479.txt index efa928ab38b..83fbc22270b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001479.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001479.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001479 -RECORD_TITLE: Methionine sulfoximine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Methionine sulfoximine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY SXTAYKAGBXMACB-DPVSGNNYSA-N CH$LINK: COMPTOX DTXSID30936181 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001480.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001480.txt index 2db2e90e82f..e8872818419 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001480.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001480.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001480 -RECORD_TITLE: Methionine sulfoximine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Methionine sulfoximine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY SXTAYKAGBXMACB-DPVSGNNYSA-N CH$LINK: COMPTOX DTXSID30936181 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001481.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001481.txt index a070101712a..201771b7ab9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001481.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001481.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001481 -RECORD_TITLE: Methionine sulfoximine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Methionine sulfoximine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY SXTAYKAGBXMACB-DPVSGNNYSA-N CH$LINK: COMPTOX DTXSID30936181 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001482.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001482.txt index 57168b7690c..df0944ea6ef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001482.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001482.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001482 -RECORD_TITLE: N-Methylanthranilic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: N-Methylanthranilic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WVMBPWMAQDVZCM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059491 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001483.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001483.txt index 4c42c06eb6b..d78730a1c6c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001483.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001483.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001483 -RECORD_TITLE: N-Methylanthranilic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: N-Methylanthranilic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WVMBPWMAQDVZCM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059491 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001484.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001484.txt index 46c494ecad1..65f5df466bf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001484.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001484.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001484 -RECORD_TITLE: N-Methylanthranilic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: N-Methylanthranilic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WVMBPWMAQDVZCM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059491 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001485.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001485.txt index 9b23ee6e6b5..552a38a0615 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001485.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001485.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001485 -RECORD_TITLE: N-Methylanthranilic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: N-Methylanthranilic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WVMBPWMAQDVZCM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059491 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001486.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001486.txt index aa2b3ffbdee..f18d0952d97 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001486.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001486.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001486 -RECORD_TITLE: N-Methylanthranilic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: N-Methylanthranilic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WVMBPWMAQDVZCM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059491 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001487.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001487.txt index 89eeee15cce..2b391f1d1e3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001487.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001487.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001487 -RECORD_TITLE: Methanesulfonic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Methanesulfonic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY AFVFQIVMOAPDHO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026422 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001488.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001488.txt index 160f247a62d..4011b452632 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001488.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001488.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001488 -RECORD_TITLE: Methanesulfonic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Methanesulfonic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY AFVFQIVMOAPDHO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026422 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001489.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001489.txt index 0e691c3bd74..e6ef0077be5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001489.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001489.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001489 -RECORD_TITLE: Methanesulfonic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Methanesulfonic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY AFVFQIVMOAPDHO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026422 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001490.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001490.txt index 13aa5af00c2..a4e8d9e4c2b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001490.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001490.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001490 -RECORD_TITLE: Methanesulfonic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Methanesulfonic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY AFVFQIVMOAPDHO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026422 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001491.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001491.txt index c1adbef7ee3..45659374eb6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001491.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001491.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001491 -RECORD_TITLE: Methanesulfonic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Methanesulfonic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY AFVFQIVMOAPDHO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026422 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001492.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001492.txt index fc3afa0fbc4..0de5bfdc350 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001492.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001492.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001492 -RECORD_TITLE: Minocycline; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Minocycline; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY DYKFCLLONBREIL-KVUCHLLUSA-N CH$LINK: COMPTOX DTXSID1045033 CH$LINK: ChemOnt CHEMONTID:0000181; Organic compounds; Phenylpropanoids and polyketides; Tetracyclines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001493.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001493.txt index 1ff4f9f3f9d..ec480360fad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001493.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001493.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001493 -RECORD_TITLE: Minocycline; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Minocycline; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY DYKFCLLONBREIL-KVUCHLLUSA-N CH$LINK: COMPTOX DTXSID1045033 CH$LINK: ChemOnt CHEMONTID:0000181; Organic compounds; Phenylpropanoids and polyketides; Tetracyclines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001494.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001494.txt index 5f573d4530c..a0d66600f32 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001494.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001494.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001494 -RECORD_TITLE: Minocycline; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Minocycline; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY DYKFCLLONBREIL-KVUCHLLUSA-N CH$LINK: COMPTOX DTXSID1045033 CH$LINK: ChemOnt CHEMONTID:0000181; Organic compounds; Phenylpropanoids and polyketides; Tetracyclines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001495.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001495.txt index 8dffb6bb866..09c45afc9f5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001495.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001495.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001495 -RECORD_TITLE: Minocycline; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Minocycline; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY DYKFCLLONBREIL-KVUCHLLUSA-N CH$LINK: COMPTOX DTXSID1045033 CH$LINK: ChemOnt CHEMONTID:0000181; Organic compounds; Phenylpropanoids and polyketides; Tetracyclines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001496.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001496.txt index a6c51d47522..a1afe1ee564 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001496.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001496.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001496 -RECORD_TITLE: Minocycline; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Minocycline; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY DYKFCLLONBREIL-KVUCHLLUSA-N CH$LINK: COMPTOX DTXSID1045033 CH$LINK: ChemOnt CHEMONTID:0000181; Organic compounds; Phenylpropanoids and polyketides; Tetracyclines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001497.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001497.txt index e8bf5510381..6958409b8b7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001497.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001497.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001497 -RECORD_TITLE: (Methylthio)acetic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: (Methylthio)acetic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY HGTBAIVLETUVCG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10179195 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001498.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001498.txt index d8730bb3ae1..1dd116f7f0d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001498.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001498.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001498 -RECORD_TITLE: (Methylthio)acetic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: (Methylthio)acetic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY HGTBAIVLETUVCG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10179195 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001499.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001499.txt index 49c2b3578d6..28c65ab29ca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001499.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001499.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001499 -RECORD_TITLE: (Methylthio)acetic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: (Methylthio)acetic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY HGTBAIVLETUVCG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10179195 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001500.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001500.txt index ba3230ae3b0..23efe645964 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001500.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001500.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001500 -RECORD_TITLE: (Methylthio)acetic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: (Methylthio)acetic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY HGTBAIVLETUVCG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10179195 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001501.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001501.txt index 6c02930e374..b025ac257ed 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001501.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001501 -RECORD_TITLE: (Methylthio)acetic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: (Methylthio)acetic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY HGTBAIVLETUVCG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10179195 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001502.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001502.txt index d5102ec295b..7a53daf36b8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001502.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001502 -RECORD_TITLE: Nicotinic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Nicotinic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY PVNIIMVLHYAWGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020932 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001503.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001503.txt index 9fcdfa0daa5..6dbd93ea7db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001503.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001503 -RECORD_TITLE: Nicotinic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Nicotinic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY PVNIIMVLHYAWGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020932 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001504.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001504.txt index 2db0379522c..69e8e261324 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001504.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001504 -RECORD_TITLE: Nicotinic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Nicotinic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY PVNIIMVLHYAWGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020932 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001505.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001505.txt index d0bdf171dde..4055d8cc74a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001505.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001505 -RECORD_TITLE: Nicotinic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Nicotinic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY PVNIIMVLHYAWGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020932 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001506.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001506.txt index 66916379925..56ab2b56c33 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001506.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001506 -RECORD_TITLE: Nicotinic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Nicotinic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY PVNIIMVLHYAWGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020932 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001507.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001507.txt index 30ea0dfcc5b..f090f8d8d01 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001507.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001507 -RECORD_TITLE: Norvaline; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Norvaline; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:65098 CH$LINK: INCHIKEY SNDPXSYFESPGGJ-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001508.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001508.txt index 32eece512a4..fbb72529280 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001508.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001508 -RECORD_TITLE: Norvaline; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Norvaline; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:65098 CH$LINK: INCHIKEY SNDPXSYFESPGGJ-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001509.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001509.txt index 3131c16d61b..7a71eeb994f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001509.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001509.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001509 -RECORD_TITLE: Norvaline; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Norvaline; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:65098 CH$LINK: INCHIKEY SNDPXSYFESPGGJ-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001510.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001510.txt index d3e4b2d4f5a..7b9837aaf07 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001510.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001510.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001510 -RECORD_TITLE: 4-Nitrophenyl phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 4-Nitrophenyl phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60861876 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001511.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001511.txt index 84e0188cafa..6c535f9abe9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001511.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001511.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001511 -RECORD_TITLE: 4-Nitrophenyl phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 4-Nitrophenyl phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60861876 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001512.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001512.txt index 27928f396cf..d3912c0d5d2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001512.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001512.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001512 -RECORD_TITLE: 4-Nitrophenyl phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 4-Nitrophenyl phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60861876 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001513.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001513.txt index 647a973de9c..70e09f777f6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001513.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001513.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001513 -RECORD_TITLE: 4-Nitrophenyl phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 4-Nitrophenyl phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60861876 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001514.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001514.txt index c7f1ccf7346..24466f4f284 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001514.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001514.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001514 -RECORD_TITLE: 4-Nitrophenyl phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 4-Nitrophenyl phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60861876 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001515.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001515.txt index 82b7923e779..d7b0e4e5bae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001515.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001515.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001515 -RECORD_TITLE: p-Nitroaniline; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: p-Nitroaniline; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY TYMLOMAKGOJONV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020961 CH$LINK: ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001516.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001516.txt index cd01677571d..5cab785c592 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001516.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001516.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001516 -RECORD_TITLE: p-Nitroaniline; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: p-Nitroaniline; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY TYMLOMAKGOJONV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020961 CH$LINK: ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001517.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001517.txt index abf21143bcf..693417ebaf4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001517.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001517.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001517 -RECORD_TITLE: p-Nitroaniline; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: p-Nitroaniline; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY TYMLOMAKGOJONV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020961 CH$LINK: ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001518.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001518.txt index 36e315afbdb..43151c1548b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001518.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001518.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001518 -RECORD_TITLE: p-Nitroaniline; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: p-Nitroaniline; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY TYMLOMAKGOJONV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020961 CH$LINK: ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001519.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001519.txt index b3dcdb3d40d..544022293bd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001519.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001519.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001519 -RECORD_TITLE: p-Nitroaniline; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: p-Nitroaniline; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY TYMLOMAKGOJONV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020961 CH$LINK: ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001520.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001520.txt index a77bc684b84..ddc99625f77 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001520.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001520.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001520 -RECORD_TITLE: Norleucine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Norleucine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY LRQKBLKVPFOOQJ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70883362 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001521.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001521.txt index 3fcaf77f4fa..d835e86b830 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001521.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001521.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001521 -RECORD_TITLE: Norleucine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Norleucine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY LRQKBLKVPFOOQJ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70883362 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001522.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001522.txt index 9f0d55b9949..99f8154ff1c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001522.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001522.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001522 -RECORD_TITLE: Norleucine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Norleucine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY LRQKBLKVPFOOQJ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70883362 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001523.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001523.txt index 5e1dab4d8da..e1ef2f81b0b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001523.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001523.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001523 -RECORD_TITLE: Naproxen; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Naproxen; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CMWTZPSULFXXJA-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID4040686 CH$LINK: ChemOnt CHEMONTID:0000023; Organic compounds; Benzenoids; Naphthalenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001524.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001524.txt index bf84201d5ff..7fb59919f2c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001524.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001524.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001524 -RECORD_TITLE: Naproxen; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Naproxen; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CMWTZPSULFXXJA-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID4040686 CH$LINK: ChemOnt CHEMONTID:0000023; Organic compounds; Benzenoids; Naphthalenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001525.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001525.txt index 102c4c76ff2..fe5fa319f15 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001525.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001525.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001525 -RECORD_TITLE: Naproxen; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Naproxen; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CMWTZPSULFXXJA-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID4040686 CH$LINK: ChemOnt CHEMONTID:0000023; Organic compounds; Benzenoids; Naphthalenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001526.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001526.txt index ae3448f44e0..7cef725d33f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001526.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001526.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001526 -RECORD_TITLE: Naproxen; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Naproxen; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CMWTZPSULFXXJA-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID4040686 CH$LINK: ChemOnt CHEMONTID:0000023; Organic compounds; Benzenoids; Naphthalenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001527.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001527.txt index d84a8ae7edf..ebfdfa17990 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001527.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001527.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001527 -RECORD_TITLE: Naproxen; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Naproxen; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CMWTZPSULFXXJA-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID4040686 CH$LINK: ChemOnt CHEMONTID:0000023; Organic compounds; Benzenoids; Naphthalenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001528.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001528.txt index 52a0d505e4a..157ac6c368c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001528.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001528.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001528 -RECORD_TITLE: 2-Oxoglutaric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2-Oxoglutaric acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY KPGXRSRHYNQIFN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5033179 CH$LINK: ChemOnt CHEMONTID:0001115; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Gamma-keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001529.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001529.txt index e384fd4fa17..313fc247e7c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001529.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001529.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001529 -RECORD_TITLE: 2-Oxoglutaric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2-Oxoglutaric acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY KPGXRSRHYNQIFN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5033179 CH$LINK: ChemOnt CHEMONTID:0001115; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Gamma-keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001530.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001530.txt index 830cd4cf5f2..78f51c026c0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001530.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001530.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001530 -RECORD_TITLE: 2-Oxoglutaric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2-Oxoglutaric acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY KPGXRSRHYNQIFN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5033179 CH$LINK: ChemOnt CHEMONTID:0001115; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Gamma-keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001531.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001531.txt index ba65e549440..cf9e34345ef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001531.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001531.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001531 -RECORD_TITLE: 2-Oxoglutaric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2-Oxoglutaric acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY KPGXRSRHYNQIFN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5033179 CH$LINK: ChemOnt CHEMONTID:0001115; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Gamma-keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001532.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001532.txt index dff54e1071d..169f190e843 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001532.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001532.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001532 -RECORD_TITLE: L-Ornithine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-Ornithine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY AHLPHDHHMVZTML-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID00883219 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001533.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001533.txt index b3e9e4b42e9..a5b32b40694 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001533.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001533.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001533 -RECORD_TITLE: L-Ornithine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-Ornithine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY AHLPHDHHMVZTML-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID00883219 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001534.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001534.txt index 02526108dd9..4686524dba9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001534.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001534.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001534 -RECORD_TITLE: L-Ornithine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-Ornithine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY AHLPHDHHMVZTML-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID00883219 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001535.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001535.txt index 1246c0459c8..5b447ca5200 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001535.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001535.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001535 -RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001536.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001536.txt index d8ebd66195f..da3c1a10174 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001536.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001536.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001536 -RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001537.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001537.txt index 91b0743976f..4b474e95815 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001537.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001537.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001537 -RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001538.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001538.txt index 6d42094b189..c39d05f9c69 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001538.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001538.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001538 -RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001539.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001539.txt index 690e52699ae..4a5b7bdcf13 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001539.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001539.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001539 -RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001540.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001540.txt index 327477c9727..338f8d74b56 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001540.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001540.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001540 -RECORD_TITLE: Octopine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Octopine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY IMXSCCDUAFEIOE-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID50487423 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001541.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001541.txt index 657f3ad9bd3..27fadb42117 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001541.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001541.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001541 -RECORD_TITLE: Octopine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Octopine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY IMXSCCDUAFEIOE-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID50487423 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001542.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001542.txt index 332a443ed87..c06e9194648 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001542.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001542.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001542 -RECORD_TITLE: Octopine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Octopine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY IMXSCCDUAFEIOE-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID50487423 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001543.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001543.txt index c41f3f31956..65d80a94fb2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001543.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001543.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001543 -RECORD_TITLE: Octopine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Octopine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY IMXSCCDUAFEIOE-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID50487423 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001544.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001544.txt index c56cf48152e..419f7e53034 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001544.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001544.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001544 -RECORD_TITLE: Octopine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Octopine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY IMXSCCDUAFEIOE-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID50487423 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001545.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001545.txt index d83c03659e4..494843e77c5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001545.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001545.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001545 -RECORD_TITLE: Oxamic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Oxamic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SOWBFZRMHSNYGE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6060052 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001546.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001546.txt index d89bdd704b8..aba291c0564 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001546.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001546.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001546 -RECORD_TITLE: Oxamic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Oxamic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SOWBFZRMHSNYGE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6060052 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001547.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001547.txt index a272ee6bd04..514f1eb38ea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001547.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001547.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001547 -RECORD_TITLE: Oxamic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Oxamic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SOWBFZRMHSNYGE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6060052 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001548.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001548.txt index 360f0be2a38..418f8cb2de7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001548.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001548.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001548 -RECORD_TITLE: Orcinol; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Orcinol; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY OIPPWFOQEKKFEE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2060123 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001549.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001549.txt index 13f4961f829..d044ac9943f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001549.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001549.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001549 -RECORD_TITLE: Orcinol; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Orcinol; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY OIPPWFOQEKKFEE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2060123 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001550.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001550.txt index 04d44ee4eb6..b6a5ce1b079 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001550.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001550.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001550 -RECORD_TITLE: Orcinol; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Orcinol; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY OIPPWFOQEKKFEE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2060123 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001551.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001551.txt index 79113f406b6..0773a30ef15 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001551.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001551.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001551 -RECORD_TITLE: Orcinol; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Orcinol; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY OIPPWFOQEKKFEE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2060123 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001552.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001552.txt index c14a8749f13..52a1f13fc3b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001552.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001552.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001552 -RECORD_TITLE: Orcinol; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Orcinol; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY OIPPWFOQEKKFEE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2060123 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001553.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001553.txt index 0f8c2146cf5..6c1a7a6276c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001553.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001553.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001553 -RECORD_TITLE: 4-Oxohexanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 4-Oxohexanoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CLJBDOUIEHLLEN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20912252 CH$LINK: ChemOnt CHEMONTID:0001415; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Medium-chain keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001554.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001554.txt index 8b745e022a4..c4330547127 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001554.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001554.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001554 -RECORD_TITLE: 4-Oxohexanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 4-Oxohexanoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CLJBDOUIEHLLEN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20912252 CH$LINK: ChemOnt CHEMONTID:0001415; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Medium-chain keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001555.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001555.txt index 6c7f8e1b35c..67bc0f6ca6e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001555.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001555.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001555 -RECORD_TITLE: 4-Oxohexanoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 4-Oxohexanoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CLJBDOUIEHLLEN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20912252 CH$LINK: ChemOnt CHEMONTID:0001415; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Medium-chain keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001556.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001556.txt index b74f62cadde..b8702c22948 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001556.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001556.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001556 -RECORD_TITLE: 4-Oxohexanoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 4-Oxohexanoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CLJBDOUIEHLLEN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20912252 CH$LINK: ChemOnt CHEMONTID:0001415; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Medium-chain keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001557.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001557.txt index af881cd78e5..99685a6a513 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001557.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001557.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001557 -RECORD_TITLE: 4-Oxohexanoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 4-Oxohexanoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CLJBDOUIEHLLEN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20912252 CH$LINK: ChemOnt CHEMONTID:0001415; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Medium-chain keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001558.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001558.txt index 0342b14401f..0f0024501ee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001558.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001558.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001558 -RECORD_TITLE: Orotidine 5'-monophosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Orotidine 5'-monophosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:160617 CH$LINK: INCHIKEY KYOBSHFOBAOFBF-XVFCMESISA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001559.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001559.txt index 02e75e48e30..a5a99de5021 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001559.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001559.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001559 -RECORD_TITLE: Orotidine 5'-monophosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Orotidine 5'-monophosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:160617 CH$LINK: INCHIKEY KYOBSHFOBAOFBF-XVFCMESISA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001560.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001560.txt index 1d7e3585b3f..9592f93f052 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001560.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001560.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001560 -RECORD_TITLE: Orotidine 5'-monophosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Orotidine 5'-monophosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:160617 CH$LINK: INCHIKEY KYOBSHFOBAOFBF-XVFCMESISA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001561.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001561.txt index 973c9251e1f..04a6cc5d26e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001561.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001561.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001561 -RECORD_TITLE: Orotidine 5'-monophosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Orotidine 5'-monophosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:160617 CH$LINK: INCHIKEY KYOBSHFOBAOFBF-XVFCMESISA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001562.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001562.txt index c453ae1b69d..3e129c550dc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001562.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001562.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001562 -RECORD_TITLE: Orotidine 5'-monophosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Orotidine 5'-monophosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:160617 CH$LINK: INCHIKEY KYOBSHFOBAOFBF-XVFCMESISA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001563.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001563.txt index ea5065d2be8..52ffd9b59f7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001563.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001563.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001563 -RECORD_TITLE: L-(-)-Phenylalanine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-(-)-Phenylalanine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY COLNVLDHVKWLRT-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID4040763 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001564.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001564.txt index ce1b0dcd913..aaca057c152 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001564.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001564.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001564 -RECORD_TITLE: L-(-)-Phenylalanine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-(-)-Phenylalanine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY COLNVLDHVKWLRT-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID4040763 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001565.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001565.txt index 9fd5b1e12ed..66e353e3758 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001565.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001565.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001565 -RECORD_TITLE: L-(-)-Phenylalanine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-(-)-Phenylalanine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY COLNVLDHVKWLRT-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID4040763 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001566.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001566.txt index 779d1b46b79..33f04b54e97 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001566.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001566.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001566 -RECORD_TITLE: L-(-)-Phenylalanine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: L-(-)-Phenylalanine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY COLNVLDHVKWLRT-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID4040763 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001567.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001567.txt index 5a7517fc8ab..fcc4dd11590 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001567.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001567.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001567 -RECORD_TITLE: L-(-)-Phenylalanine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: L-(-)-Phenylalanine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY COLNVLDHVKWLRT-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID4040763 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001568.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001568.txt index 7016f711cd1..2b3d7f0a913 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001568.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001568.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001568 -RECORD_TITLE: L-(-)-Proline; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-(-)-Proline; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ONIBWKKTOPOVIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5044021 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001569.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001569.txt index eba0a8d2566..4fa89d8a2fd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001569.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001569.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001569 -RECORD_TITLE: L-(-)-Proline; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-(-)-Proline; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ONIBWKKTOPOVIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5044021 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001570.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001570.txt index dbc48cbdd55..7a598257f1d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001570.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001570.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001570 -RECORD_TITLE: L-(-)-Proline; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-(-)-Proline; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ONIBWKKTOPOVIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5044021 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001571.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001571.txt index 9fedba4140b..4b32bd3ffdc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001571.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001571.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001571 -RECORD_TITLE: Phosphoenolpyruvic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Phosphoenolpyruvic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DTBNBXWJWCWCIK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80861797 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001572.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001572.txt index 39bacda1a4f..b7fc306e7a9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001572.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001572.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001572 -RECORD_TITLE: Phosphoenolpyruvic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Phosphoenolpyruvic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DTBNBXWJWCWCIK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80861797 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001573.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001573.txt index 63ff94f98bc..252cedb9331 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001573.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001573.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001573 -RECORD_TITLE: Phosphoenolpyruvic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Phosphoenolpyruvic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DTBNBXWJWCWCIK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80861797 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001574.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001574.txt index 899ce442907..1040fb05e18 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001574.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001574.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001574 -RECORD_TITLE: Phosphoenolpyruvic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Phosphoenolpyruvic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DTBNBXWJWCWCIK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80861797 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001575.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001575.txt index 59e37732ab8..9354ec3691b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001575.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001575.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001575 -RECORD_TITLE: Phosphoenolpyruvic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Phosphoenolpyruvic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DTBNBXWJWCWCIK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80861797 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001576.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001576.txt index 515afa1f29e..19443b544ed 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001576.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001576.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001576 -RECORD_TITLE: Pyridoxal; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Pyridoxal; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RADKZDMFGJYCBB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4046020 CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001577.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001577.txt index c846b37801b..fae283b0a94 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001577.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001577.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001577 -RECORD_TITLE: Pyridoxal; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Pyridoxal; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RADKZDMFGJYCBB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4046020 CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001578.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001578.txt index a75f5d511e1..e316f6a36b3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001578.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001578.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001578 -RECORD_TITLE: Pyridoxal; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Pyridoxal; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RADKZDMFGJYCBB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4046020 CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001579.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001579.txt index 3e9acec9e06..346f036f59e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001579.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001579.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001579 -RECORD_TITLE: Pyridoxal; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Pyridoxal; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RADKZDMFGJYCBB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4046020 CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001580.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001580.txt index 296d20309d1..f0f276560bf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001580.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001580.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001580 -RECORD_TITLE: Pyridoxal; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Pyridoxal; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RADKZDMFGJYCBB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4046020 CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001581.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001581.txt index dfc630887b7..01a86cec5d8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001581.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001581.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001581 -RECORD_TITLE: 5-Phosphorylribose 1-pyrophosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 5-Phosphorylribose 1-pyrophosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:7339 CH$LINK: INCHIKEY PQGCEDQWHSBAJP-AIHAYLRMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001582.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001582.txt index 195f4af0cd1..d904d65518f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001582.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001582.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001582 -RECORD_TITLE: 5-Phosphorylribose 1-pyrophosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 5-Phosphorylribose 1-pyrophosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:7339 CH$LINK: INCHIKEY PQGCEDQWHSBAJP-AIHAYLRMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001583.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001583.txt index a60accc122d..fd3fb07867f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001583.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001583.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001583 -RECORD_TITLE: 5-Phosphorylribose 1-pyrophosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 5-Phosphorylribose 1-pyrophosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:7339 CH$LINK: INCHIKEY PQGCEDQWHSBAJP-AIHAYLRMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001584.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001584.txt index cf25901ab43..6e0df7a3076 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001584.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001584.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001584 -RECORD_TITLE: 5-Phosphorylribose 1-pyrophosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 5-Phosphorylribose 1-pyrophosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:7339 CH$LINK: INCHIKEY PQGCEDQWHSBAJP-AIHAYLRMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001585.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001585.txt index 3d39bd9cdf3..4ad757ca846 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001585.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001585.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001585 -RECORD_TITLE: 5-Phosphorylribose 1-pyrophosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 5-Phosphorylribose 1-pyrophosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:7339 CH$LINK: INCHIKEY PQGCEDQWHSBAJP-AIHAYLRMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001586.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001586.txt index 93ce209ddc3..bd4e01a19a9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001586.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001586.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001586 -RECORD_TITLE: Propionic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Propionic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY XBDQKXXYIPTUBI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025961 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001587.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001587.txt index aeef628457a..afe670a26f7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001587.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001587.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001587 -RECORD_TITLE: Propionic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Propionic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY XBDQKXXYIPTUBI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025961 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001588.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001588.txt index 66eab0e289a..e5b44271038 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001588.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001588.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001588 -RECORD_TITLE: Propionic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Propionic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY XBDQKXXYIPTUBI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025961 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001589.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001589.txt index ad1bdc0fe40..299ffd41b23 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001589.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001589.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001589 -RECORD_TITLE: Propionic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Propionic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY XBDQKXXYIPTUBI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025961 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001590.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001590.txt index aba781acda5..c11a0ea4239 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001590.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001590.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001590 -RECORD_TITLE: Pyruvic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Pyruvic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY LCTONWCANYUPML-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021650 CH$LINK: ChemOnt CHEMONTID:0001113; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001591.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001591.txt index 4ebd1d7001f..a3a5b045bb0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001591.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001591.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001591 -RECORD_TITLE: Pyruvic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Pyruvic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY LCTONWCANYUPML-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021650 CH$LINK: ChemOnt CHEMONTID:0001113; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001592.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001592.txt index eaab08925ef..99fd0201062 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001592.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001592.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001592 -RECORD_TITLE: Pyruvic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Pyruvic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY LCTONWCANYUPML-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021650 CH$LINK: ChemOnt CHEMONTID:0001113; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001593.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001593.txt index 6907a9b5da9..e2601875635 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001593.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001593.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001593 -RECORD_TITLE: Pyruvic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Pyruvic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY LCTONWCANYUPML-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021650 CH$LINK: ChemOnt CHEMONTID:0001113; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001594.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001594.txt index 0dadeaab21c..4b6629a131c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001594.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001594.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001594 -RECORD_TITLE: Pyruvic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Pyruvic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY LCTONWCANYUPML-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021650 CH$LINK: ChemOnt CHEMONTID:0001113; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001595.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001595.txt index 6167640006e..c578612c5df 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001595.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001595.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001595 -RECORD_TITLE: 2-Phosphoglycerate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2-Phosphoglycerate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439278 CH$LINK: INCHIKEY GXIURPTVHJPJLF-UWTATZPHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001596.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001596.txt index cc04da77bc3..5be26976e79 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001596.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001596.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001596 -RECORD_TITLE: 2-Phosphoglycerate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2-Phosphoglycerate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439278 CH$LINK: INCHIKEY GXIURPTVHJPJLF-UWTATZPHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001597.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001597.txt index fc10cc7c7e4..204a0ab279d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001597.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001597.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001597 -RECORD_TITLE: 2-Phosphoglycerate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2-Phosphoglycerate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439278 CH$LINK: INCHIKEY GXIURPTVHJPJLF-UWTATZPHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001598.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001598.txt index 94b70b5c967..55d0d1cb7da 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001598.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001598.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001598 -RECORD_TITLE: 2-Phosphoglycerate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2-Phosphoglycerate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439278 CH$LINK: INCHIKEY GXIURPTVHJPJLF-UWTATZPHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001599.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001599.txt index 361ca14e3a1..4a23b7390d5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001599.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001599.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001599 -RECORD_TITLE: 2-Phosphoglycerate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 2-Phosphoglycerate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439278 CH$LINK: INCHIKEY GXIURPTVHJPJLF-UWTATZPHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001600.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001600.txt index 05ad008c2c4..e4e5b18ca35 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001600.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001600.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001600 -RECORD_TITLE: 6-Phospho-D-gluconic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 6-Phospho-D-gluconic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BIRSGZKFKXLSJQ-SQOUGZDYSA-N CH$LINK: COMPTOX DTXSID00872623 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001601.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001601.txt index d28db86f1ac..d00ee03893f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001601.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001601 -RECORD_TITLE: 6-Phospho-D-gluconic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 6-Phospho-D-gluconic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BIRSGZKFKXLSJQ-SQOUGZDYSA-N CH$LINK: COMPTOX DTXSID00872623 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001602.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001602.txt index a115880fdba..2f976e306a2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001602.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001602 -RECORD_TITLE: 6-Phospho-D-gluconic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 6-Phospho-D-gluconic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BIRSGZKFKXLSJQ-SQOUGZDYSA-N CH$LINK: COMPTOX DTXSID00872623 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001603.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001603.txt index a967d936467..834e22a4c72 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001603.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001603 -RECORD_TITLE: 6-Phospho-D-gluconic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 6-Phospho-D-gluconic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BIRSGZKFKXLSJQ-SQOUGZDYSA-N CH$LINK: COMPTOX DTXSID00872623 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001604.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001604.txt index d6eca41f3de..3bea5435f7d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001604.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001604 -RECORD_TITLE: 6-Phospho-D-gluconic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 6-Phospho-D-gluconic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BIRSGZKFKXLSJQ-SQOUGZDYSA-N CH$LINK: COMPTOX DTXSID00872623 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001605.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001605.txt index 4d6d0261019..a7f6d1c773e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001605.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001605 -RECORD_TITLE: D-(+)-Pantothenic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: D-(+)-Pantothenic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY GHOKWGTUZJEAQD-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID9023417 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001606.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001606.txt index c5286ba0dee..2c5e8bbf206 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001606.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001606.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001606 -RECORD_TITLE: D-(+)-Pantothenic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: D-(+)-Pantothenic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY GHOKWGTUZJEAQD-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID9023417 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001607.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001607.txt index ba781fa8d7a..2f4ef63fd85 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001607.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001607 -RECORD_TITLE: D-(+)-Pantothenic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: D-(+)-Pantothenic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY GHOKWGTUZJEAQD-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID9023417 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001608.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001608.txt index 156c34b638b..c2e1071c67a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001608.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001608 -RECORD_TITLE: D-(+)-Pantothenic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: D-(+)-Pantothenic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY GHOKWGTUZJEAQD-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID9023417 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001609.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001609.txt index 76e6350073b..69d17ceaf92 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001609.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001609.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001609 -RECORD_TITLE: D-(+)-Pantothenic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: D-(+)-Pantothenic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY GHOKWGTUZJEAQD-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID9023417 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001610.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001610.txt index 014aa8e545d..e11ace6347b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001610.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001610.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001610 -RECORD_TITLE: Phenyl phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Phenyl phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY CMPQUABWPXYYSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6044981 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001611.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001611.txt index a957f58d263..5a7d02b7bb8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001611.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001611.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001611 -RECORD_TITLE: Phenyl phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Phenyl phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY CMPQUABWPXYYSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6044981 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001612.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001612.txt index d7ce08ef71e..dc6c26fb0c2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001612.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001612.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001612 -RECORD_TITLE: Phenyl phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Phenyl phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY CMPQUABWPXYYSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6044981 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001613.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001613.txt index 725c67ce8c5..6d310b158aa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001613.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001613.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001613 -RECORD_TITLE: Phenyl phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Phenyl phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY CMPQUABWPXYYSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6044981 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001614.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001614.txt index 4cc946242db..8e50eab38f6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001614.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001614.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001614 -RECORD_TITLE: Phenyl phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Phenyl phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY CMPQUABWPXYYSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6044981 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001615.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001615.txt index 5f5c864e71f..18dc9e1744d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001615.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001615.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001615 -RECORD_TITLE: Pyridoxal 5-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Pyridoxal 5-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY NGVDGCNFYWLIFO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4048351 CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001616.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001616.txt index 12e19041af3..a2a43c95994 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001616.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001616.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001616 -RECORD_TITLE: Pyridoxal 5-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Pyridoxal 5-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY NGVDGCNFYWLIFO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4048351 CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001617.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001617.txt index f130a40e978..669633da208 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001617.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001617.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001617 -RECORD_TITLE: Pyridoxal 5-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Pyridoxal 5-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY NGVDGCNFYWLIFO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4048351 CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001618.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001618.txt index 03538b97a5b..61e6c2884b8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001618.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001618.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001618 -RECORD_TITLE: Pyridoxal 5-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Pyridoxal 5-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY NGVDGCNFYWLIFO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4048351 CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001619.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001619.txt index 8469b87cdc6..0f542f19cf4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001619.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001619.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001619 -RECORD_TITLE: Pyridoxal 5-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Pyridoxal 5-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY NGVDGCNFYWLIFO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4048351 CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001620.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001620.txt index db6adb11757..c68647ec804 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001620.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001620.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001620 -RECORD_TITLE: Piperacillin; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Piperacillin; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IVBHGBMCVLDMKU-GXNBUGAJSA-N CH$LINK: COMPTOX DTXSID2023482 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001621.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001621.txt index 276acfdc061..385a4ceccc4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001621.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001621.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001621 -RECORD_TITLE: Piperacillin; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Piperacillin; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IVBHGBMCVLDMKU-GXNBUGAJSA-N CH$LINK: COMPTOX DTXSID2023482 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001622.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001622.txt index b2c6b0ff75c..2b7a1e47b1c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001622.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001622.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001622 -RECORD_TITLE: Piperacillin; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Piperacillin; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IVBHGBMCVLDMKU-GXNBUGAJSA-N CH$LINK: COMPTOX DTXSID2023482 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001623.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001623.txt index cfb146562a7..6f69fc2bbc1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001623.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001623.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001623 -RECORD_TITLE: Piperacillin; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Piperacillin; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IVBHGBMCVLDMKU-GXNBUGAJSA-N CH$LINK: COMPTOX DTXSID2023482 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001624.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001624.txt index 46fb8b0664f..23bc73fee5c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001624.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001624.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001624 -RECORD_TITLE: Piperacillin; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Piperacillin; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IVBHGBMCVLDMKU-GXNBUGAJSA-N CH$LINK: COMPTOX DTXSID2023482 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001625.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001625.txt index ecc1036fb77..485c9cc4221 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001625.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001625.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001625 -RECORD_TITLE: Propiolic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Propiolic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY UORVCLMRJXCDCP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6060050 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001626.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001626.txt index 03c83fb544b..2d0a7982944 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001626.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001626.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001626 -RECORD_TITLE: Palmitoleic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Palmitoleic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY SECPZKHBENQXJG-FPLPWBNLSA-N CH$LINK: COMPTOX DTXSID0041197 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001627.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001627.txt index 3206aeae677..513ebd4cc92 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001627.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001627.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001627 -RECORD_TITLE: Palmitoleic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Palmitoleic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY SECPZKHBENQXJG-FPLPWBNLSA-N CH$LINK: COMPTOX DTXSID0041197 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001628.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001628.txt index 5a71a74dea5..dbad9da1c05 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001628.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001628.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001628 -RECORD_TITLE: Palmitoleic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Palmitoleic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY SECPZKHBENQXJG-FPLPWBNLSA-N CH$LINK: COMPTOX DTXSID0041197 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001629.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001629.txt index 87a8d450ff8..90fe1fe2ded 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001629.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001629.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001629 -RECORD_TITLE: Palmitoleic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Palmitoleic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY SECPZKHBENQXJG-FPLPWBNLSA-N CH$LINK: COMPTOX DTXSID0041197 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001630.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001630.txt index 5d9ae8eda9e..0f9a8bfdf19 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001630.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001630.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001630 -RECORD_TITLE: Palmitoleic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Palmitoleic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY SECPZKHBENQXJG-FPLPWBNLSA-N CH$LINK: COMPTOX DTXSID0041197 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001631.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001631.txt index 3280d910d22..06daf70acbd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001631.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001631.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001631 -RECORD_TITLE: DL-Pipecolic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: DL-Pipecolic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: PUBCHEM CID:439227 CH$LINK: INCHIKEY HXEACLLIILLPRG-YFKPBYRVSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001632.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001632.txt index 1418ddcf5dd..d87b0c417d3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001632.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001632.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001632 -RECORD_TITLE: DL-Pipecolic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: DL-Pipecolic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: PUBCHEM CID:439227 CH$LINK: INCHIKEY HXEACLLIILLPRG-YFKPBYRVSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001633.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001633.txt index 0fa82ccb8af..97bbbdff156 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001633.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001633.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001633 -RECORD_TITLE: DL-Pipecolic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: DL-Pipecolic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: PUBCHEM CID:439227 CH$LINK: INCHIKEY HXEACLLIILLPRG-YFKPBYRVSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001634.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001634.txt index 56e5289200d..1eb17a2fd42 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001634.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001634.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001634 -RECORD_TITLE: DL-Pipecolic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: DL-Pipecolic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: PUBCHEM CID:439227 CH$LINK: INCHIKEY HXEACLLIILLPRG-YFKPBYRVSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001635.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001635.txt index 6a30957e253..c66805db0f5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001635.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001635.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001635 -RECORD_TITLE: DL-Pipecolic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: DL-Pipecolic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: PUBCHEM CID:439227 CH$LINK: INCHIKEY HXEACLLIILLPRG-YFKPBYRVSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001636.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001636.txt index 86f9420008b..52101a442e2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001636.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001636.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001636 -RECORD_TITLE: Pyridoxine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Pyridoxine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023541 CH$LINK: ChemOnt CHEMONTID:0001948; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001637.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001637.txt index 85a349a7bfb..853c75eaf22 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001637.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001637.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001637 -RECORD_TITLE: Pyridoxine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Pyridoxine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023541 CH$LINK: ChemOnt CHEMONTID:0001948; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001638.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001638.txt index 51790330c2f..fa93e0fc14c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001638.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001638.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001638 -RECORD_TITLE: Pyridoxine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Pyridoxine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023541 CH$LINK: ChemOnt CHEMONTID:0001948; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001639.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001639.txt index 6761257ffd4..1f28ff7f996 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001639.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001639.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001639 -RECORD_TITLE: Pyridoxine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Pyridoxine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023541 CH$LINK: ChemOnt CHEMONTID:0001948; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001640.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001640.txt index c0f88a5b0be..3ebaeca2d7a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001640.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001640.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001640 -RECORD_TITLE: Pyridoxine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Pyridoxine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023541 CH$LINK: ChemOnt CHEMONTID:0001948; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001641.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001641.txt index 7817261c28e..95c4bc60e56 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001641.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001641.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001641 -RECORD_TITLE: Propylthiouracil; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Propylthiouracil; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KNAHARQHSZJURB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021209 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001642.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001642.txt index c0f75beaf05..40f43aa4146 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001642.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001642.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001642 -RECORD_TITLE: Propylthiouracil; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Propylthiouracil; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KNAHARQHSZJURB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021209 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001643.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001643.txt index 3a5edeeb08a..8548b4d1b9e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001643.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001643.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001643 -RECORD_TITLE: Propylthiouracil; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Propylthiouracil; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KNAHARQHSZJURB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021209 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001644.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001644.txt index ad9c891d76f..48f5fb6bf03 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001644.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001644.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001644 -RECORD_TITLE: Propylthiouracil; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Propylthiouracil; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KNAHARQHSZJURB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021209 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001645.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001645.txt index e2cf4ac8af5..3c872c9651e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001645.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001645.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001645 -RECORD_TITLE: Propylthiouracil; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Propylthiouracil; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KNAHARQHSZJURB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021209 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001646.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001646.txt index 3ccd90e811d..576530543d8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001646.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001646.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001646 -RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID9023465 CH$LINK: ChemOnt CHEMONTID:0004647; Organic compounds; Benzenoids; Phenols; 1-hydroxy-4-unsubstituted benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001647.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001647.txt index f72f35cf9c0..511fec1720a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001647.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001647.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001647 -RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID9023465 CH$LINK: ChemOnt CHEMONTID:0004647; Organic compounds; Benzenoids; Phenols; 1-hydroxy-4-unsubstituted benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001648.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001648.txt index 346e0f8b127..a4d127e0122 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001648.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001648.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001648 -RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID9023465 CH$LINK: ChemOnt CHEMONTID:0004647; Organic compounds; Benzenoids; Phenols; 1-hydroxy-4-unsubstituted benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001649.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001649.txt index 3e5572edc8e..9864a869c81 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001649.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001649.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001649 -RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID9023465 CH$LINK: ChemOnt CHEMONTID:0004647; Organic compounds; Benzenoids; Phenols; 1-hydroxy-4-unsubstituted benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001650.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001650.txt index 4f69eba1f13..5da34bd6cd1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001650.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001650.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001650 -RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID9023465 CH$LINK: ChemOnt CHEMONTID:0004647; Organic compounds; Benzenoids; Phenols; 1-hydroxy-4-unsubstituted benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001651.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001651.txt index 7dc73ba1d02..7be72c5e528 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001651.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001651.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001651 -RECORD_TITLE: Pimelic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Pimelic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WLJVNTCWHIRURA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021598 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001652.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001652.txt index d568ffa7222..3e3350646ed 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001652.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001652.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001652 -RECORD_TITLE: Pimelic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Pimelic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WLJVNTCWHIRURA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021598 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001653.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001653.txt index 05a72160751..56461aa68cf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001653.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001653.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001653 -RECORD_TITLE: Pimelic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Pimelic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WLJVNTCWHIRURA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021598 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001654.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001654.txt index 6d2307f8722..44f476da615 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001654.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001654.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001654 -RECORD_TITLE: Pimelic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Pimelic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WLJVNTCWHIRURA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021598 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001655.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001655.txt index 4116fcd72f7..9c488af124b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001655.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001655.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001655 -RECORD_TITLE: Pimelic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Pimelic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WLJVNTCWHIRURA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021598 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001656.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001656.txt index c24c56f1c58..e3eff819f19 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001656.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001656.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001656 -RECORD_TITLE: Prostaglandin F2a; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Prostaglandin F2a; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: NIKKAJI J9.246K CH$LINK: PUBCHEM CID:5280363 CH$LINK: ChemOnt CHEMONTID:0000513; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001657.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001657.txt index a5b72e92eac..643d830aba7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001657.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001657.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001657 -RECORD_TITLE: Prostaglandin F2a; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Prostaglandin F2a; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: NIKKAJI J9.246K CH$LINK: PUBCHEM CID:5280363 CH$LINK: ChemOnt CHEMONTID:0000513; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001658.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001658.txt index 9e1bb7b03ff..d0b395e5887 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001658.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001658.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001658 -RECORD_TITLE: Prostaglandin F2a; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Prostaglandin F2a; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: NIKKAJI J9.246K CH$LINK: PUBCHEM CID:5280363 CH$LINK: ChemOnt CHEMONTID:0000513; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001659.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001659.txt index 5593eb5da9f..74fda7374ad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001659.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001659.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001659 -RECORD_TITLE: Prostaglandin F2a; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Prostaglandin F2a; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: NIKKAJI J9.246K CH$LINK: PUBCHEM CID:5280363 CH$LINK: ChemOnt CHEMONTID:0000513; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001660.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001660.txt index 53a15788656..70e4f040d6d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001660.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001660.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001660 -RECORD_TITLE: Prostaglandin F2a; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Prostaglandin F2a; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: NIKKAJI J9.246K CH$LINK: PUBCHEM CID:5280363 CH$LINK: ChemOnt CHEMONTID:0000513; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001661.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001661.txt index 3ea1dc60e70..839e932ae18 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001661.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001661.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001661 -RECORD_TITLE: Psychosine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Psychosine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:5280458 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-PIIMIWFASA-N CH$LINK: ChemOnt CHEMONTID:0003258; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Glycosphingolipids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001662.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001662.txt index c482c74e7f5..6d841cce8d0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001662.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001662.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001662 -RECORD_TITLE: Psychosine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Psychosine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:5280458 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-PIIMIWFASA-N CH$LINK: ChemOnt CHEMONTID:0003258; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Glycosphingolipids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001663.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001663.txt index 37a15464f2e..ee96b4d41e0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001663.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001663.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001663 -RECORD_TITLE: Psychosine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Psychosine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:5280458 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-PIIMIWFASA-N CH$LINK: ChemOnt CHEMONTID:0003258; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Glycosphingolipids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001664.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001664.txt index 96d874272bc..843ed996991 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001664.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001664.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001664 -RECORD_TITLE: Psychosine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Psychosine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:5280458 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-PIIMIWFASA-N CH$LINK: ChemOnt CHEMONTID:0003258; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Glycosphingolipids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001665.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001665.txt index 598084a78cb..83c81a6b1f5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001665.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001665.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001665 -RECORD_TITLE: Psychosine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Psychosine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:5280458 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-PIIMIWFASA-N CH$LINK: ChemOnt CHEMONTID:0003258; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Glycosphingolipids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001666.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001666.txt index 1ddcd52d05e..ea9a27fe22d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001666.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001666.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001666 -RECORD_TITLE: Piroxicam; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Piroxicam; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QYSPLQLAKJAUJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021170 CH$LINK: ChemOnt CHEMONTID:0000309; Organic compounds; Organoheterocyclic compounds; Benzothiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001667.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001667.txt index 8df56a02bd4..7a3f9c7757e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001667.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001667.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001667 -RECORD_TITLE: Piroxicam; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Piroxicam; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QYSPLQLAKJAUJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021170 CH$LINK: ChemOnt CHEMONTID:0000309; Organic compounds; Organoheterocyclic compounds; Benzothiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001668.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001668.txt index 6b93230ccbf..2b2d307036f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001668.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001668.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001668 -RECORD_TITLE: Piroxicam; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Piroxicam; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QYSPLQLAKJAUJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021170 CH$LINK: ChemOnt CHEMONTID:0000309; Organic compounds; Organoheterocyclic compounds; Benzothiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001669.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001669.txt index d77c4e5db25..b15c4b53949 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001669.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001669.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001669 -RECORD_TITLE: Piroxicam; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Piroxicam; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QYSPLQLAKJAUJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021170 CH$LINK: ChemOnt CHEMONTID:0000309; Organic compounds; Organoheterocyclic compounds; Benzothiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001670.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001670.txt index f688da20edb..c29ef9e3d2e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001670.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001670.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001670 -RECORD_TITLE: Piroxicam; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Piroxicam; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QYSPLQLAKJAUJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021170 CH$LINK: ChemOnt CHEMONTID:0000309; Organic compounds; Organoheterocyclic compounds; Benzothiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001671.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001671.txt index ecde7072293..6dfad8ecfd2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001671.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001671.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001671 -RECORD_TITLE: Pelargonic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Pelargonic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY FBUKVWPVBMHYJY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021641 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001672.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001672.txt index 59a6978b84e..90d6d568735 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001672.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001672.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001672 -RECORD_TITLE: Pelargonic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Pelargonic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY FBUKVWPVBMHYJY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021641 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001673.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001673.txt index 3924b60e1c8..964a51beca4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001673.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001673.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001673 -RECORD_TITLE: Pelargonic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Pelargonic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY FBUKVWPVBMHYJY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021641 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001674.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001674.txt index 22fbfcca474..d26486adc7f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001674.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001674.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001674 -RECORD_TITLE: Pelargonic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Pelargonic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY FBUKVWPVBMHYJY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021641 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001675.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001675.txt index 81375ae25a1..c89732a0246 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001675.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001675.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001675 -RECORD_TITLE: Pelargonic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Pelargonic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY FBUKVWPVBMHYJY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021641 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001676.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001676.txt index d13f2cb43fb..b847e77dc08 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001676.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001676.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001676 -RECORD_TITLE: 3-(2-Hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 3-(2-Hydroxyphenyl)propionic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY CJBDUOMQLFKVQC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075421 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001677.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001677.txt index ac6f781d563..028dba18714 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001677.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001677.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001677 -RECORD_TITLE: 3-(2-Hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 3-(2-Hydroxyphenyl)propionic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY CJBDUOMQLFKVQC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075421 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001678.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001678.txt index 9e511bd07b7..4ae70648af2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001678.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001678.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001678 -RECORD_TITLE: 3-(2-Hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 3-(2-Hydroxyphenyl)propionic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY CJBDUOMQLFKVQC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075421 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001679.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001679.txt index 444bc49917a..24890b5fb1e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001679.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001679.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001679 -RECORD_TITLE: 3-(2-Hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 3-(2-Hydroxyphenyl)propionic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY CJBDUOMQLFKVQC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075421 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001680.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001680.txt index 1704c3d7524..7d3674c1a8c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001680.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001680.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001680 -RECORD_TITLE: 3-(2-Hydroxyphenyl)propionic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 3-(2-Hydroxyphenyl)propionic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY CJBDUOMQLFKVQC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075421 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001681.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001681.txt index 83658cbb578..d929e1142f0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001681.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001681.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001681 -RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001682.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001682.txt index 54c789a1029..db8a10129f1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001682.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001682.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001682 -RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001683.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001683.txt index 3950d0cf822..2f7f42075ad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001683.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001683.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001683 -RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001684.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001684.txt index 020cf055153..713008b1637 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001684.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001684.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001684 -RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001685.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001685.txt index 687109d0c42..d25ee613f3a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001685.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001685.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001685 -RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001686.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001686.txt index 8e5996bb56e..d5b870aa1b3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001686.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001686.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001686 -RECORD_TITLE: Puromycin; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Puromycin; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY RXWNCPJZOCPEPQ-NVWDDTSBSA-N CH$LINK: COMPTOX DTXSID8036788 CH$LINK: ChemOnt CHEMONTID:0002178; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 3'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001687.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001687.txt index 0970b493571..108585a49db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001687.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001687.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001687 -RECORD_TITLE: Puromycin; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Puromycin; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY RXWNCPJZOCPEPQ-NVWDDTSBSA-N CH$LINK: COMPTOX DTXSID8036788 CH$LINK: ChemOnt CHEMONTID:0002178; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 3'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001688.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001688.txt index 2a998b6ab93..6fe15a11550 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001688.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001688.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001688 -RECORD_TITLE: Puromycin; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Puromycin; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY RXWNCPJZOCPEPQ-NVWDDTSBSA-N CH$LINK: COMPTOX DTXSID8036788 CH$LINK: ChemOnt CHEMONTID:0002178; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 3'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001689.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001689.txt index f35a83044f0..4ff36427387 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001689.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001689.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001689 -RECORD_TITLE: Puromycin; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Puromycin; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY RXWNCPJZOCPEPQ-NVWDDTSBSA-N CH$LINK: COMPTOX DTXSID8036788 CH$LINK: ChemOnt CHEMONTID:0002178; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 3'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001690.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001690.txt index 3f026198433..7f5f1247d51 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001690.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001690.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001690 -RECORD_TITLE: Puromycin; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Puromycin; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY RXWNCPJZOCPEPQ-NVWDDTSBSA-N CH$LINK: COMPTOX DTXSID8036788 CH$LINK: ChemOnt CHEMONTID:0002178; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 3'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001691.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001691.txt index 2110674ac12..b59a869de40 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001691.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001691.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001691 -RECORD_TITLE: Phthalic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Phthalic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY XNGIFLGASWRNHJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021484 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001692.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001692.txt index c0020ab852f..ed4dd2ce609 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001692.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001692.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001692 -RECORD_TITLE: Phthalic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Phthalic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY XNGIFLGASWRNHJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021484 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001693.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001693.txt index 7d867c5cd07..65f5cfdcb19 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001693.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001693.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001693 -RECORD_TITLE: Phthalic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Phthalic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY XNGIFLGASWRNHJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021484 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001694.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001694.txt index 2b26faf8e17..2f8007dd2a1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001694.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001694.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001694 -RECORD_TITLE: Phthalic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Phthalic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY XNGIFLGASWRNHJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021484 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001695.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001695.txt index d1a6ad7d599..ae6f4e781c5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001695.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001695.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001695 -RECORD_TITLE: Phthalic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Phthalic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY XNGIFLGASWRNHJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021484 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001696.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001696.txt index 95d5f42ab70..b8a59185524 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001696.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001696.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001696 -RECORD_TITLE: D-5-Oxoproline; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: D-5-Oxoproline; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID10193432 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001697.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001697.txt index 897535bf408..665250a8af5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001697.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001697.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001697 -RECORD_TITLE: D-5-Oxoproline; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: D-5-Oxoproline; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID10193432 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001698.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001698.txt index 18ddb31b94c..2c74ca6192d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001698.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001698.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001698 -RECORD_TITLE: D-5-Oxoproline; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: D-5-Oxoproline; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID10193432 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001699.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001699.txt index 458e1368956..6219d679c11 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001699.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001699.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001699 -RECORD_TITLE: D-5-Oxoproline; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: D-5-Oxoproline; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID10193432 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001700.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001700.txt index 8807e66946a..b4aab75a989 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001700.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001700.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001700 -RECORD_TITLE: D-5-Oxoproline; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: D-5-Oxoproline; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID10193432 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001701.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001701.txt index e705756bca4..a09e1eb14c8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001701.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001701 -RECORD_TITLE: Quinolinic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Quinolinic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY GJAWHXHKYYXBSV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8041327 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001702.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001702.txt index e30aabae531..e2945f288f4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001702.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001702 -RECORD_TITLE: Quinolinic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Quinolinic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY GJAWHXHKYYXBSV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8041327 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001703.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001703.txt index ff9b710d843..d53df2ed0d5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001703.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001703 -RECORD_TITLE: Quinolinic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Quinolinic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY GJAWHXHKYYXBSV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8041327 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001704.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001704.txt index a8bb5dfd20e..90eaf9dcd71 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001704.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001704 -RECORD_TITLE: Quinolinic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Quinolinic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY GJAWHXHKYYXBSV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8041327 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001705.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001705.txt index 7971d78ea76..dae91ad1e2b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001705.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001705 -RECORD_TITLE: Quinolinic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Quinolinic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY GJAWHXHKYYXBSV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8041327 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001706.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001706.txt index 3599960c5a1..3ebadd170a2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001706.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001706.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001706 -RECORD_TITLE: 3-Phenylpropionic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 3-Phenylpropionic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY XMIIGOLPHOKFCH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047064 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001707.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001707.txt index c3d3d619c93..fcc01e084a4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001707.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001707 -RECORD_TITLE: 3-Phenylpropionic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 3-Phenylpropionic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY XMIIGOLPHOKFCH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047064 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001708.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001708.txt index 65a708bd624..61f9a8af144 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001708.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001708 -RECORD_TITLE: 3-Phenylpropionic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 3-Phenylpropionic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY XMIIGOLPHOKFCH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047064 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001709.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001709.txt index 927b4b32049..1502312ca8c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001709.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001709.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001709 -RECORD_TITLE: 3-Phenylpropionic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 3-Phenylpropionic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY XMIIGOLPHOKFCH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047064 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001710.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001710.txt index d29f67e53a2..f3933876ac5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001710.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001710.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001710 -RECORD_TITLE: DL-3-Phenyllactic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: DL-3-Phenyllactic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VOXXWSYKYCBWHO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30862436 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001711.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001711.txt index f99a6631a12..77b87f9803e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001711.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001711.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001711 -RECORD_TITLE: DL-3-Phenyllactic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: DL-3-Phenyllactic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VOXXWSYKYCBWHO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30862436 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001712.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001712.txt index 36717f78f10..4d076efbb04 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001712.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001712.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001712 -RECORD_TITLE: DL-3-Phenyllactic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: DL-3-Phenyllactic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VOXXWSYKYCBWHO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30862436 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001713.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001713.txt index a2bb3960dea..d7b670a100f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001713.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001713.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001713 -RECORD_TITLE: DL-3-Phenyllactic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: DL-3-Phenyllactic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VOXXWSYKYCBWHO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30862436 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001714.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001714.txt index 42ca83b1566..78f37769fd5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001714.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001714.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001714 -RECORD_TITLE: DL-3-Phenyllactic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: DL-3-Phenyllactic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VOXXWSYKYCBWHO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30862436 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001715.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001715.txt index 1b6bca68868..2542130e5df 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001715.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001715.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001715 -RECORD_TITLE: Pyrrole 2-carboxylic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Pyrrole 2-carboxylic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WRHZVMBBRYBTKZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50212813 CH$LINK: ChemOnt CHEMONTID:0002554; Organic compounds; Organoheterocyclic compounds; Pyrroles; Pyrrole carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001716.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001716.txt index 571e70cadd8..2ec2fdb4302 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001716.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001716.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001716 -RECORD_TITLE: Pyrrole 2-carboxylic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Pyrrole 2-carboxylic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WRHZVMBBRYBTKZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50212813 CH$LINK: ChemOnt CHEMONTID:0002554; Organic compounds; Organoheterocyclic compounds; Pyrroles; Pyrrole carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001717.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001717.txt index c0e0418c406..0008e981ca5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001717.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001717.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001717 -RECORD_TITLE: Pyrrole 2-carboxylic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Pyrrole 2-carboxylic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WRHZVMBBRYBTKZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50212813 CH$LINK: ChemOnt CHEMONTID:0002554; Organic compounds; Organoheterocyclic compounds; Pyrroles; Pyrrole carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001718.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001718.txt index 640a4bae72f..612f523ee6b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001718.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001718.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001718 -RECORD_TITLE: Pyrrole 2-carboxylic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Pyrrole 2-carboxylic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WRHZVMBBRYBTKZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50212813 CH$LINK: ChemOnt CHEMONTID:0002554; Organic compounds; Organoheterocyclic compounds; Pyrroles; Pyrrole carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001719.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001719.txt index b6accf1a26e..ccadf585212 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001719.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001719.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001719 -RECORD_TITLE: Pyrrole 2-carboxylic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Pyrrole 2-carboxylic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WRHZVMBBRYBTKZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50212813 CH$LINK: ChemOnt CHEMONTID:0002554; Organic compounds; Organoheterocyclic compounds; Pyrroles; Pyrrole carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001720.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001720.txt index c8639759b66..f285d4d8609 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001720.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001720.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001720 -RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046825 CH$LINK: ChemOnt CHEMONTID:0001966; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001721.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001721.txt index 2150ae5c658..d0fe03a4f39 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001721.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001721.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001721 -RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046825 CH$LINK: ChemOnt CHEMONTID:0001966; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001722.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001722.txt index 40423987e93..31e6a84cd63 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001722.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001722.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001722 -RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046825 CH$LINK: ChemOnt CHEMONTID:0001966; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001723.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001723.txt index 65d2471d6ec..7da6cee6f82 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001723.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001723.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001723 -RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046825 CH$LINK: ChemOnt CHEMONTID:0001966; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001724.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001724.txt index 24a0153784a..65a9485b791 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001724.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001724.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001724 -RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046825 CH$LINK: ChemOnt CHEMONTID:0001966; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001725.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001725.txt index 2b363b2cbf9..7864d1f34bf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001725.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001725.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001725 -RECORD_TITLE: Pyridoxamine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Pyridoxamine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NHZMQXZHNVQTQA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6046929 CH$LINK: ChemOnt CHEMONTID:0001966; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001726.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001726.txt index b7d82ede898..f4682699523 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001726.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001726.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001726 -RECORD_TITLE: Pyridoxamine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Pyridoxamine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NHZMQXZHNVQTQA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6046929 CH$LINK: ChemOnt CHEMONTID:0001966; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001727.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001727.txt index 757986934ef..bb17f4454fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001727.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001727.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001727 -RECORD_TITLE: Pyridoxamine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Pyridoxamine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NHZMQXZHNVQTQA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6046929 CH$LINK: ChemOnt CHEMONTID:0001966; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001728.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001728.txt index 56f81aee485..bd51ead7ea5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001728.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001728.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001728 -RECORD_TITLE: Pyridoxamine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Pyridoxamine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NHZMQXZHNVQTQA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6046929 CH$LINK: ChemOnt CHEMONTID:0001966; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001729.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001729.txt index 367d6b7653c..33486725d2f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001729.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001729.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001729 -RECORD_TITLE: Pyridoxamine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Pyridoxamine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NHZMQXZHNVQTQA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6046929 CH$LINK: ChemOnt CHEMONTID:0001966; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001730.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001730.txt index 69f30796df4..30ac2f75b1e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001730.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001730.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001730 -RECORD_TITLE: Phosphoramidon; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Phosphoramidon; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:445114 CH$LINK: INCHIKEY ZPHBZEQOLSRPAK-XLCYBJAPSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001731.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001731.txt index bc8fae52503..faf85b345b4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001731.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001731.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001731 -RECORD_TITLE: Phosphoramidon; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Phosphoramidon; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:445114 CH$LINK: INCHIKEY ZPHBZEQOLSRPAK-XLCYBJAPSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001732.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001732.txt index 6fd3c80bd74..e3ff166959e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001732.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001732.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001732 -RECORD_TITLE: Phosphoramidon; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Phosphoramidon; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:445114 CH$LINK: INCHIKEY ZPHBZEQOLSRPAK-XLCYBJAPSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001733.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001733.txt index ccb8fb549c7..ada6c5cbb74 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001733.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001733.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001733 -RECORD_TITLE: Phosphoramidon; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Phosphoramidon; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:445114 CH$LINK: INCHIKEY ZPHBZEQOLSRPAK-XLCYBJAPSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001734.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001734.txt index d1c8cea21dd..7a33bb2cb2f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001734.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001734.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001734 -RECORD_TITLE: Phosphoramidon; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Phosphoramidon; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:445114 CH$LINK: INCHIKEY ZPHBZEQOLSRPAK-XLCYBJAPSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001735.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001735.txt index 8db39ffd08e..675b3c17a2f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001735.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001735.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001735 -RECORD_TITLE: Phenoxyacetic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Phenoxyacetic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY LCPDWSOZIOUXRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9025873 CH$LINK: ChemOnt CHEMONTID:0000417; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001736.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001736.txt index 00b47258f04..b03317a1f74 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001736.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001736.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001736 -RECORD_TITLE: Phenoxyacetic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Phenoxyacetic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY LCPDWSOZIOUXRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9025873 CH$LINK: ChemOnt CHEMONTID:0000417; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001737.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001737.txt index 303ca83f96f..c951f22dd74 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001737.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001737.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001737 -RECORD_TITLE: Phenoxyacetic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Phenoxyacetic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY LCPDWSOZIOUXRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9025873 CH$LINK: ChemOnt CHEMONTID:0000417; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001738.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001738.txt index 3a75c3dadc4..a308e0a060b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001738.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001738.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001738 -RECORD_TITLE: Phenoxyacetic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Phenoxyacetic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY LCPDWSOZIOUXRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9025873 CH$LINK: ChemOnt CHEMONTID:0000417; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001739.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001739.txt index 958cbb342f8..d34bb507fe1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001739.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001739.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001739 -RECORD_TITLE: Phenoxyacetic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Phenoxyacetic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY LCPDWSOZIOUXRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9025873 CH$LINK: ChemOnt CHEMONTID:0000417; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001740.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001740.txt index 6253b6666bc..af43c699bbf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001740.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001740.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001740 -RECORD_TITLE: Quisqualic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Quisqualic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ASNFTDCKZKHJSW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20896927 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001741.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001741.txt index da5645817d4..2e7d35dd6aa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001741.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001741.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001741 -RECORD_TITLE: Quisqualic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Quisqualic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ASNFTDCKZKHJSW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20896927 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001742.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001742.txt index c0a023d2981..f015268d00a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001742.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001742.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001742 -RECORD_TITLE: Quisqualic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Quisqualic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ASNFTDCKZKHJSW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20896927 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001743.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001743.txt index ebca0cb42c8..03f9fa09db6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001743.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001743.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001743 -RECORD_TITLE: Quisqualic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Quisqualic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ASNFTDCKZKHJSW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20896927 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001744.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001744.txt index f5f743726bc..0b419d15160 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001744.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001744.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001744 -RECORD_TITLE: Quisqualic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Quisqualic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ASNFTDCKZKHJSW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20896927 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001745.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001745.txt index eec8223c22c..5b4858348ed 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001745.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001745.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001745 -RECORD_TITLE: Quinic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Quinic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:6508 CH$LINK: INCHIKEY AAWZDTNXLSGCEK-WYWMIBKRSA-N CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001746.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001746.txt index c36eaf41c43..ea140803370 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001746.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001746.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001746 -RECORD_TITLE: Quinic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Quinic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:6508 CH$LINK: INCHIKEY AAWZDTNXLSGCEK-WYWMIBKRSA-N CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001747.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001747.txt index 6887c4674e5..4f58cf961b9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001747.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001747.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001747 -RECORD_TITLE: Quinic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Quinic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:6508 CH$LINK: INCHIKEY AAWZDTNXLSGCEK-WYWMIBKRSA-N CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001748.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001748.txt index 08c1f3effbe..eff76190e40 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001748.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001748.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001748 -RECORD_TITLE: Quinic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Quinic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:6508 CH$LINK: INCHIKEY AAWZDTNXLSGCEK-WYWMIBKRSA-N CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001749.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001749.txt index a1585744cf9..35a80694b03 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001749.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001749.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001749 -RECORD_TITLE: Quinic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Quinic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:6508 CH$LINK: INCHIKEY AAWZDTNXLSGCEK-WYWMIBKRSA-N CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001750.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001750.txt index c7182c7a808..f38463ceb6a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001750.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001750.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001750 -RECORD_TITLE: Ribose 5-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Ribose 5-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:440101 CH$LINK: INCHIKEY KTVPXOYAKDPRHY-AIHAYLRMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001751.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001751.txt index 757f4cdb4dc..45785c9a499 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001751.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001751.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001751 -RECORD_TITLE: Ribose 5-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Ribose 5-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:440101 CH$LINK: INCHIKEY KTVPXOYAKDPRHY-AIHAYLRMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001752.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001752.txt index 8b7b99717d1..24e8f561b09 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001752.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001752.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001752 -RECORD_TITLE: Ribose 5-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Ribose 5-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:440101 CH$LINK: INCHIKEY KTVPXOYAKDPRHY-AIHAYLRMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001753.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001753.txt index d67d5b21c19..a2f7d52c1e9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001753.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001753.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001753 -RECORD_TITLE: Ribose 5-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Ribose 5-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:440101 CH$LINK: INCHIKEY KTVPXOYAKDPRHY-AIHAYLRMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001754.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001754.txt index dad91ee7fdc..8442268db3d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001754.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001754.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001754 -RECORD_TITLE: Ribose 5-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Ribose 5-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:440101 CH$LINK: INCHIKEY KTVPXOYAKDPRHY-AIHAYLRMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001755.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001755.txt index 720197dbc00..63e01085026 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001755.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001755.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001755 -RECORD_TITLE: Ribulose 1,5-diphosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Ribulose 1,5-diphosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YAHZABJORDUQGO-NQXXGFSBSA-N CH$LINK: COMPTOX DTXSID30173837 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001756.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001756.txt index d2afe9dd534..e510a496879 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001756.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001756.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001756 -RECORD_TITLE: Ribulose 1,5-diphosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Ribulose 1,5-diphosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YAHZABJORDUQGO-NQXXGFSBSA-N CH$LINK: COMPTOX DTXSID30173837 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001757.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001757.txt index d12684d2c2f..a1038d468e9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001757.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001757.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001757 -RECORD_TITLE: Ribulose 1,5-diphosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Ribulose 1,5-diphosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YAHZABJORDUQGO-NQXXGFSBSA-N CH$LINK: COMPTOX DTXSID30173837 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001758.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001758.txt index 4c45f638a7f..ea70643850a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001758.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001758.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001758 -RECORD_TITLE: Ribulose 1,5-diphosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Ribulose 1,5-diphosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YAHZABJORDUQGO-NQXXGFSBSA-N CH$LINK: COMPTOX DTXSID30173837 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001759.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001759.txt index 852e49ae4be..678cf791313 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001759.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001759.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001759 -RECORD_TITLE: Ribulose 1,5-diphosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Ribulose 1,5-diphosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YAHZABJORDUQGO-NQXXGFSBSA-N CH$LINK: COMPTOX DTXSID30173837 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001760.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001760.txt index e237b8840aa..e8c2ef28fb6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001760.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001760.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001760 -RECORD_TITLE: Ribostamycin; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Ribostamycin; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:33042 CH$LINK: INCHIKEY NSKGQURZWSPSBC-DLBSIDPUSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001761.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001761.txt index 4700bc7575f..0e6134b20f3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001761.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001761.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001761 -RECORD_TITLE: Ribostamycin; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Ribostamycin; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:33042 CH$LINK: INCHIKEY NSKGQURZWSPSBC-DLBSIDPUSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001762.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001762.txt index 4df72da848f..ddbb20266c7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001762.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001762.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001762 -RECORD_TITLE: Ribostamycin; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Ribostamycin; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:33042 CH$LINK: INCHIKEY NSKGQURZWSPSBC-DLBSIDPUSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001763.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001763.txt index cfeb7ea1628..aff845da5e9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001763.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001763.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001763 -RECORD_TITLE: Ribostamycin; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Ribostamycin; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:33042 CH$LINK: INCHIKEY NSKGQURZWSPSBC-DLBSIDPUSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001764.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001764.txt index 2a6ad657853..4b80b00e08c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001764.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001764.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001764 -RECORD_TITLE: Ribostamycin; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Ribostamycin; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:33042 CH$LINK: INCHIKEY NSKGQURZWSPSBC-DLBSIDPUSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001765.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001765.txt index f252109ad31..fe90587e8fb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001765.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001765.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001765 -RECORD_TITLE: Ribose 1-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Ribose 1-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:439236 CH$LINK: INCHIKEY YXJDFQJKERBOBM-TXICZTDVSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001766.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001766.txt index b97f545397d..faecfb4767e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001766.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001766.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001766 -RECORD_TITLE: Ribose 1-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Ribose 1-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:439236 CH$LINK: INCHIKEY YXJDFQJKERBOBM-TXICZTDVSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001767.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001767.txt index 74e9e53212b..1b99e6cea7b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001767.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001767.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001767 -RECORD_TITLE: Ribose 1-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Ribose 1-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:439236 CH$LINK: INCHIKEY YXJDFQJKERBOBM-TXICZTDVSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001768.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001768.txt index c0471931e52..9f7892a2c16 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001768.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001768.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001768 -RECORD_TITLE: Ribose 1-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Ribose 1-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:439236 CH$LINK: INCHIKEY YXJDFQJKERBOBM-TXICZTDVSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001769.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001769.txt index 1b519fea213..d4a4576535c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001769.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001769.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001769 -RECORD_TITLE: Ribose 1-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Ribose 1-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:439236 CH$LINK: INCHIKEY YXJDFQJKERBOBM-TXICZTDVSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001770.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001770.txt index c061d04b315..f8a541f71b0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001770.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001770.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001770 -RECORD_TITLE: Rhein; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Rhein; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FCDLCPWAQCPTKC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026000 CH$LINK: ChemOnt CHEMONTID:0001911; Organic compounds; Benzenoids; Anthracenes; Anthracenecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001771.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001771.txt index d0f584d0873..706ca2768cd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001771.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001771.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001771 -RECORD_TITLE: Rhein; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Rhein; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FCDLCPWAQCPTKC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026000 CH$LINK: ChemOnt CHEMONTID:0001911; Organic compounds; Benzenoids; Anthracenes; Anthracenecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001772.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001772.txt index df09d136779..ea5294fc9ad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001772.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001772.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001772 -RECORD_TITLE: Rhein; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Rhein; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FCDLCPWAQCPTKC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026000 CH$LINK: ChemOnt CHEMONTID:0001911; Organic compounds; Benzenoids; Anthracenes; Anthracenecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001773.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001773.txt index 587c1c5b8ae..bb2bdd12f5d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001773.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001773.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001773 -RECORD_TITLE: Rhein; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Rhein; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FCDLCPWAQCPTKC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026000 CH$LINK: ChemOnt CHEMONTID:0001911; Organic compounds; Benzenoids; Anthracenes; Anthracenecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001774.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001774.txt index 3d1278efe8e..85c628f1ed5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001774.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001774.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001774 -RECORD_TITLE: Rhein; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Rhein; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FCDLCPWAQCPTKC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4026000 CH$LINK: ChemOnt CHEMONTID:0001911; Organic compounds; Benzenoids; Anthracenes; Anthracenecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001775.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001775.txt index bee7e20c546..6d28bcb5c91 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001775.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001775.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001775 -RECORD_TITLE: Ranitidine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Ranitidine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: PUBCHEM CID:5039 CH$LINK: INCHIKEY VMXUWOKSQNHOCA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001776.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001776.txt index cf95b1ea3a0..16ea2d5c0bb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001776.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001776.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001776 -RECORD_TITLE: Ranitidine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Ranitidine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: PUBCHEM CID:5039 CH$LINK: INCHIKEY VMXUWOKSQNHOCA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001777.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001777.txt index 30474fc3e71..1ee2519dce1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001777.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001777.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001777 -RECORD_TITLE: Ranitidine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Ranitidine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: PUBCHEM CID:5039 CH$LINK: INCHIKEY VMXUWOKSQNHOCA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001778.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001778.txt index 3447b503115..b0f221a5488 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001778.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001778.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001778 -RECORD_TITLE: Ranitidine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Ranitidine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: PUBCHEM CID:5039 CH$LINK: INCHIKEY VMXUWOKSQNHOCA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001779.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001779.txt index c154c760ebb..d0a80336a5b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001779.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001779.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001779 -RECORD_TITLE: Ranitidine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Ranitidine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: PUBCHEM CID:5039 CH$LINK: INCHIKEY VMXUWOKSQNHOCA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001780.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001780.txt index 8472244e3ae..872cf020575 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001780.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001780.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001780 -RECORD_TITLE: L-Serine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-Serine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY MTCFGRXMJLQNBG-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID60883230 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001781.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001781.txt index f2e2e2b023d..717c201bfa5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001781.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001781.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001781 -RECORD_TITLE: L-Serine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-Serine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY MTCFGRXMJLQNBG-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID60883230 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001782.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001782.txt index 50c801d520c..856375f897e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001782.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001782.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001782 -RECORD_TITLE: L-Serine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-Serine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY MTCFGRXMJLQNBG-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID60883230 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001783.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001783.txt index b10ce347b6f..ae75fa07ef6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001783.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001783.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001783 -RECORD_TITLE: L-Serine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: L-Serine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY MTCFGRXMJLQNBG-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID60883230 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001784.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001784.txt index 4801104798f..5d9777fa7e9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001784.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001784.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001784 -RECORD_TITLE: Succinic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Succinic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KDYFGRWQOYBRFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023602 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001785.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001785.txt index 26eae9c573b..07b3473a725 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001785.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001785.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001785 -RECORD_TITLE: Succinic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Succinic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KDYFGRWQOYBRFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023602 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001786.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001786.txt index e61644c0c01..e75c24f4447 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001786.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001786.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001786 -RECORD_TITLE: Succinic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Succinic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KDYFGRWQOYBRFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023602 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001787.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001787.txt index 5d6e374f25a..81c9733d691 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001787.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001787.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001787 -RECORD_TITLE: Succinic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Succinic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KDYFGRWQOYBRFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023602 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001788.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001788.txt index 3f5e5806ec4..485045a6c30 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001788.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001788.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001788 -RECORD_TITLE: Succinic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Succinic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KDYFGRWQOYBRFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023602 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001789.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001789.txt index cfe9669e7ea..b1a6f6247ae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001789.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001789.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001789 -RECORD_TITLE: (-)-Shikimic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: (-)-Shikimic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY JXOHGGNKMLTUBP-HSUXUTPPSA-N CH$LINK: COMPTOX DTXSID4032039 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001790.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001790.txt index eae6b63ae93..2c44ed0be16 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001790.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001790.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001790 -RECORD_TITLE: (-)-Shikimic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: (-)-Shikimic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY JXOHGGNKMLTUBP-HSUXUTPPSA-N CH$LINK: COMPTOX DTXSID4032039 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001791.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001791.txt index e42a6268cfc..10ad06fa200 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001791.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001791.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001791 -RECORD_TITLE: (-)-Shikimic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: (-)-Shikimic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY JXOHGGNKMLTUBP-HSUXUTPPSA-N CH$LINK: COMPTOX DTXSID4032039 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001792.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001792.txt index 0ee57ac5223..8a2249b17f1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001792.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001792.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001792 -RECORD_TITLE: (-)-Shikimic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: (-)-Shikimic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY JXOHGGNKMLTUBP-HSUXUTPPSA-N CH$LINK: COMPTOX DTXSID4032039 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001793.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001793.txt index 60b51434368..a0f962cf7c3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001793.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001793.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001793 -RECORD_TITLE: (-)-Shikimic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: (-)-Shikimic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY JXOHGGNKMLTUBP-HSUXUTPPSA-N CH$LINK: COMPTOX DTXSID4032039 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001794.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001794.txt index fee7cf6c45f..3ce4d9931a1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001794.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001794.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001794 -RECORD_TITLE: Suberic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Suberic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY TYFQFVWCELRYAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021644 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001795.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001795.txt index 1a5cd6b8ec1..73de09a6e9b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001795.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001795.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001795 -RECORD_TITLE: Suberic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Suberic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY TYFQFVWCELRYAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021644 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001796.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001796.txt index 957ac920930..771af269184 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001796.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001796.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001796 -RECORD_TITLE: Suberic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Suberic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY TYFQFVWCELRYAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021644 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001797.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001797.txt index 8826bc2b0b4..a1e4009f786 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001797.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001797.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001797 -RECORD_TITLE: Suberic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Suberic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY TYFQFVWCELRYAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021644 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001798.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001798.txt index 59a60b796bf..7a535368db8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001798.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001798.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001798 -RECORD_TITLE: Suberic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Suberic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY TYFQFVWCELRYAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021644 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001799.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001799.txt index 5db925ea77d..3eba37ee64a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001799.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001799.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001799 -RECORD_TITLE: Sarcosine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Sarcosine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FSYKKLYZXJSNPZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1047025 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001800.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001800.txt index a7a2dd60598..c4ba6bed56c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001800.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001800.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001800 -RECORD_TITLE: Sarcosine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Sarcosine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FSYKKLYZXJSNPZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1047025 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001801.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001801.txt index f78a8f6bfa5..4523b38d5a5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001801.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001801 -RECORD_TITLE: Sarcosine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Sarcosine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FSYKKLYZXJSNPZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1047025 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001802.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001802.txt index 4cd54fa6f46..03f3edf9ab6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001802.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001802 -RECORD_TITLE: Succinimide; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Succinimide; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY KZNICNPSHKQLFF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8051629 CH$LINK: ChemOnt CHEMONTID:0001158; Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Pyrrolidones AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001803.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001803.txt index cd4d9d5b084..91529927b1f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001803.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001803 -RECORD_TITLE: Succinimide; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Succinimide; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY KZNICNPSHKQLFF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8051629 CH$LINK: ChemOnt CHEMONTID:0001158; Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Pyrrolidones AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001804.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001804.txt index 1215fee2755..20b76c50f1e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001804.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001804 -RECORD_TITLE: Succinimide; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Succinimide; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY KZNICNPSHKQLFF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8051629 CH$LINK: ChemOnt CHEMONTID:0001158; Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Pyrrolidones AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001805.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001805.txt index 68a782b8309..511bb957dcc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001805.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001805 -RECORD_TITLE: Succinimide; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Succinimide; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY KZNICNPSHKQLFF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8051629 CH$LINK: ChemOnt CHEMONTID:0001158; Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Pyrrolidones AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001806.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001806.txt index 7aa4d0f3b8c..89b2760d0ee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001806.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001806.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001806 -RECORD_TITLE: Succinimide; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Succinimide; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY KZNICNPSHKQLFF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8051629 CH$LINK: ChemOnt CHEMONTID:0001158; Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Pyrrolidones AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001807.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001807.txt index 7addf4d0965..1bd2a28d324 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001807.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001807 -RECORD_TITLE: Sebacic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Sebacic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY CXMXRPHRNRROMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7026867 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001808.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001808.txt index e3735ea75f0..1abb410ec3a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001808.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001808 -RECORD_TITLE: Sebacic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Sebacic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY CXMXRPHRNRROMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7026867 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001809.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001809.txt index 0a6f45213c4..4aeaa8bdfcd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001809.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001809.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001809 -RECORD_TITLE: Sebacic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Sebacic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY CXMXRPHRNRROMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7026867 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001810.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001810.txt index 7b0499d0783..67d1717fc61 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001810.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001810.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001810 -RECORD_TITLE: Sebacic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Sebacic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY CXMXRPHRNRROMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7026867 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001811.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001811.txt index a590a208347..b9cdba54ae3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001811.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001811.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001811 -RECORD_TITLE: Sebacic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Sebacic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY CXMXRPHRNRROMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7026867 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001812.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001812.txt index 094d86cf2d5..c50e0da8bfc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001812.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001812.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001812 -RECORD_TITLE: Syringic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Syringic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JMSVCTWVEWCHDZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0060191 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001813.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001813.txt index 684aa7faf40..f70d581aed5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001813.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001813.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001813 -RECORD_TITLE: Syringic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Syringic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JMSVCTWVEWCHDZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0060191 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001814.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001814.txt index 36ebf0caff3..b6470c93b79 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001814.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001814.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001814 -RECORD_TITLE: Syringic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Syringic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JMSVCTWVEWCHDZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0060191 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001815.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001815.txt index 6cfe854f1f9..2b569877f7e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001815.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001815.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001815 -RECORD_TITLE: Syringic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Syringic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JMSVCTWVEWCHDZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0060191 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001816.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001816.txt index 7ca76a42f2f..abe3d51ca1a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001816.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001816.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001816 -RECORD_TITLE: Syringic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Syringic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JMSVCTWVEWCHDZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0060191 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001817.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001817.txt index 59c0169bea0..0d3edcda4d3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001817.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001817.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001817 -RECORD_TITLE: D-Glucaric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: D-Glucaric acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY DSLZVSRJTYRBFB-LLEIAEIESA-N CH$LINK: COMPTOX DTXSID60859455 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001818.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001818.txt index b4ac7f170ef..8a2c03a20fc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001818.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001818.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001818 -RECORD_TITLE: D-Glucaric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: D-Glucaric acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY DSLZVSRJTYRBFB-LLEIAEIESA-N CH$LINK: COMPTOX DTXSID60859455 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001819.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001819.txt index b4afe23b51a..5ce8573182f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001819.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001819.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001819 -RECORD_TITLE: D-Glucaric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: D-Glucaric acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY DSLZVSRJTYRBFB-LLEIAEIESA-N CH$LINK: COMPTOX DTXSID60859455 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001820.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001820.txt index 13d9480f31c..e9fe6ee2fea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001820.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001820.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001820 -RECORD_TITLE: D-Glucaric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: D-Glucaric acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY DSLZVSRJTYRBFB-LLEIAEIESA-N CH$LINK: COMPTOX DTXSID60859455 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001821.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001821.txt index 8686d886213..cb43d530fee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001821.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001821.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001821 -RECORD_TITLE: D-Glucaric acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: D-Glucaric acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY DSLZVSRJTYRBFB-LLEIAEIESA-N CH$LINK: COMPTOX DTXSID60859455 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001822.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001822.txt index f4c0e51e630..13d8d5b83ed 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001822.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001822.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001822 -RECORD_TITLE: Sinapic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Sinapic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: NIKKAJI J11.713G CH$LINK: PUBCHEM CID:637775 CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001823.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001823.txt index 26a72a2410b..46c811687b7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001823.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001823.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001823 -RECORD_TITLE: Sinapic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Sinapic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: NIKKAJI J11.713G CH$LINK: PUBCHEM CID:637775 CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001824.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001824.txt index 0b29bcf0801..c4ecf8f3e6d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001824.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001824.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001824 -RECORD_TITLE: Sinapic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Sinapic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: NIKKAJI J11.713G CH$LINK: PUBCHEM CID:637775 CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001825.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001825.txt index fe357e4ea65..a90c0b64a31 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001825.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001825.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001825 -RECORD_TITLE: Sinapic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Sinapic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: NIKKAJI J11.713G CH$LINK: PUBCHEM CID:637775 CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001826.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001826.txt index 302ba59f31e..80359a7f924 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001826.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001826.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001826 -RECORD_TITLE: Sinapic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Sinapic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: NIKKAJI J11.713G CH$LINK: PUBCHEM CID:637775 CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001827.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001827.txt index 1c0d081c062..c0b1a0dd7b7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001827.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001827.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001827 -RECORD_TITLE: Streptomycin; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Streptomycin; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001828.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001828.txt index b55c75fc875..d00a60407be 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001828.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001828.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001828 -RECORD_TITLE: Streptomycin; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Streptomycin; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001829.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001829.txt index 37b1ecb527f..230d8b10fcf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001829.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001829.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001829 -RECORD_TITLE: Streptomycin; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Streptomycin; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001830.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001830.txt index 3be73c3cc0a..212e75881ee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001830.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001830.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001830 -RECORD_TITLE: Streptomycin; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Streptomycin; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001831.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001831.txt index d9e96edfd05..17be622ce2e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001831.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001831.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001831 -RECORD_TITLE: Streptomycin; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Streptomycin; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001832.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001832.txt index 608baa0ecf8..bcda44107f8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001832.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001832.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001832 -RECORD_TITLE: Sisomicin; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Sisomicin; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001833.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001833.txt index 3dd91f5b831..0a63d4de6bf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001833.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001833.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001833 -RECORD_TITLE: Sisomicin; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Sisomicin; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001834.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001834.txt index a35e3a9dc4b..6db45f3e31f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001834.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001834.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001834 -RECORD_TITLE: Sisomicin; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Sisomicin; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001835.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001835.txt index 0d46c317df8..14a45e44bfe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001835.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001835.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001835 -RECORD_TITLE: Sisomicin; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Sisomicin; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001836.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001836.txt index 23f1047c941..f386983f0fd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001836.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001836.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001836 -RECORD_TITLE: Sisomicin; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Sisomicin; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001837.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001837.txt index d19cb576ed6..5ad12133ca4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001837.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001837.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001837 -RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001838.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001838.txt index 013cec52ef0..5b245a148a4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001838.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001838.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001838 -RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001839.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001839.txt index a8e48948f64..57b444f3521 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001839.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001839.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001839 -RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001840.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001840.txt index b0812d5aebb..e66d114d85e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001840.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001840.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001840 -RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001841.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001841.txt index 761836a2edf..aab44dd95c7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001841.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001841.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001841 -RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001842.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001842.txt index a40f06744c0..1e98f369830 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001842.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001842.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001842 -RECORD_TITLE: 4-Sulfobenzoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 4-Sulfobenzoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HWAQOZGATRIYQG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90979817 CH$LINK: ChemOnt CHEMONTID:0000032; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001843.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001843.txt index 8bdda9b720d..8cecee264a5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001843.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001843.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001843 -RECORD_TITLE: 4-Sulfobenzoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 4-Sulfobenzoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HWAQOZGATRIYQG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90979817 CH$LINK: ChemOnt CHEMONTID:0000032; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001844.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001844.txt index cc5232b4857..641ee3b362b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001844.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001844.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001844 -RECORD_TITLE: 4-Sulfobenzoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 4-Sulfobenzoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HWAQOZGATRIYQG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90979817 CH$LINK: ChemOnt CHEMONTID:0000032; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001845.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001845.txt index c1d90760835..76b0f6313dc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001845.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001845.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001845 -RECORD_TITLE: 4-Sulfobenzoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 4-Sulfobenzoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HWAQOZGATRIYQG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90979817 CH$LINK: ChemOnt CHEMONTID:0000032; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001846.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001846.txt index 882d0091164..276d2979032 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001846.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001846.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001846 -RECORD_TITLE: 4-Sulfobenzoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 4-Sulfobenzoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HWAQOZGATRIYQG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90979817 CH$LINK: ChemOnt CHEMONTID:0000032; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001847.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001847.txt index b9f334ba3ee..c55ece9fe36 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001847.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001847.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001847 -RECORD_TITLE: Sulfanilic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Sulfanilic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY HVBSAKJJOYLTQU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024464 CH$LINK: ChemOnt CHEMONTID:0000032; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001848.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001848.txt index f7acf8d4c94..c20dfb4f5a8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001848.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001848.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001848 -RECORD_TITLE: Sulfanilic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Sulfanilic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY HVBSAKJJOYLTQU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024464 CH$LINK: ChemOnt CHEMONTID:0000032; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001849.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001849.txt index 530bd6ea995..b7b5cd57dd6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001849.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001849.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001849 -RECORD_TITLE: Sulfanilic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Sulfanilic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY HVBSAKJJOYLTQU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024464 CH$LINK: ChemOnt CHEMONTID:0000032; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001850.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001850.txt index 25d02ca7f01..59711aba4d4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001850.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001850.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001850 -RECORD_TITLE: Sulfanilic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Sulfanilic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY HVBSAKJJOYLTQU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024464 CH$LINK: ChemOnt CHEMONTID:0000032; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001851.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001851.txt index db21b68b198..be5e25ce71d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001851.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001851.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001851 -RECORD_TITLE: Sulfanilic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Sulfanilic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY HVBSAKJJOYLTQU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024464 CH$LINK: ChemOnt CHEMONTID:0000032; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001852.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001852.txt index b10f0a502cf..b23a28acf18 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001852.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001852.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001852 -RECORD_TITLE: Sulfathiazole; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Sulfathiazole; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JNMRHUJNCSQMMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026068 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001853.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001853.txt index 5b4d88003d4..16121c71861 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001853.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001853.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001853 -RECORD_TITLE: Sulfathiazole; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Sulfathiazole; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JNMRHUJNCSQMMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026068 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001854.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001854.txt index f07f0fde6b1..1857c6d6ea8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001854.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001854.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001854 -RECORD_TITLE: Sulfathiazole; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Sulfathiazole; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JNMRHUJNCSQMMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026068 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001855.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001855.txt index 15447d12650..f86ff26f7d2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001855.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001855.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001855 -RECORD_TITLE: Sulfathiazole; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Sulfathiazole; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JNMRHUJNCSQMMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026068 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001856.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001856.txt index 15af287215d..1fe2672f557 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001856.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001856.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001856 -RECORD_TITLE: Sulfathiazole; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Sulfathiazole; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JNMRHUJNCSQMMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026068 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001857.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001857.txt index 7e6bca19ef4..b60bd57b5aa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001857.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001857.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001857 -RECORD_TITLE: Sedoheptulose 7-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Sedoheptulose 7-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:165007 CH$LINK: INCHIKEY JDTUMPKOJBQPKX-GBNDHIKLSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001858.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001858.txt index 5547caf45a9..f563acd7a87 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001858.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001858.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001858 -RECORD_TITLE: Sedoheptulose 7-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Sedoheptulose 7-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:165007 CH$LINK: INCHIKEY JDTUMPKOJBQPKX-GBNDHIKLSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001859.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001859.txt index 4ced9adf57c..9058ae91cff 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001859.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001859.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001859 -RECORD_TITLE: Sedoheptulose 7-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Sedoheptulose 7-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:165007 CH$LINK: INCHIKEY JDTUMPKOJBQPKX-GBNDHIKLSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001860.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001860.txt index 0b5c7e56f76..9dbfdebc80e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001860.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001860.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001860 -RECORD_TITLE: Sedoheptulose 7-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Sedoheptulose 7-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:165007 CH$LINK: INCHIKEY JDTUMPKOJBQPKX-GBNDHIKLSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001861.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001861.txt index 2e6802b2a7e..f14b04ced2d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001861.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001861.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001861 -RECORD_TITLE: Sedoheptulose 7-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Sedoheptulose 7-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:165007 CH$LINK: INCHIKEY JDTUMPKOJBQPKX-GBNDHIKLSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001862.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001862.txt index 94854cf2238..544e62e7cd0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001862.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001862.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001862 -RECORD_TITLE: L-Tyrosine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-Tyrosine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID1023730 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001863.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001863.txt index 2c30afe8688..ce8752f81ff 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001863.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001863.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001863 -RECORD_TITLE: L-Tyrosine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-Tyrosine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID1023730 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001864.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001864.txt index d71742654fa..e2898df2f06 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001864.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001864.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001864 -RECORD_TITLE: L-Tyrosine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-Tyrosine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID1023730 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001865.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001865.txt index 48b69c9e6ab..86646c3670d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001865.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001865.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001865 -RECORD_TITLE: L-Tyrosine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: L-Tyrosine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID1023730 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001866.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001866.txt index c2a520dbed9..ee3754bac2c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001866.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001866.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001866 -RECORD_TITLE: L-Tyrosine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: L-Tyrosine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID1023730 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001867.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001867.txt index 66aeba03c12..fd3eae14224 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001867.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001867.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001867 -RECORD_TITLE: L-Tryptophan; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-Tryptophan; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY QIVBCDIJIAJPQS-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5021419 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001868.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001868.txt index ab4b18c9aa8..df78de40b29 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001868.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001868.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001868 -RECORD_TITLE: L-Tryptophan; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-Tryptophan; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY QIVBCDIJIAJPQS-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5021419 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001869.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001869.txt index d514cf74bd6..c75cfabd0c9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001869.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001869.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001869 -RECORD_TITLE: L-Tryptophan; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-Tryptophan; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY QIVBCDIJIAJPQS-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5021419 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001870.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001870.txt index 9f828fc2f1f..e4fa6cee39d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001870.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001870.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001870 -RECORD_TITLE: L-Tryptophan; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: L-Tryptophan; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY QIVBCDIJIAJPQS-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5021419 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001871.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001871.txt index 64089f37c61..f913b00a3fe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001871.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001871.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001871 -RECORD_TITLE: L-Tryptophan; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: L-Tryptophan; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY QIVBCDIJIAJPQS-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5021419 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001872.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001872.txt index 107c3c99c70..7f0507f85e1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001872.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001872.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001872 -RECORD_TITLE: Taurine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Taurine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY XOAAWQZATWQOTB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021304 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001873.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001873.txt index 1ad2a19e635..7bc7e2dfa29 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001873.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001873.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001873 -RECORD_TITLE: Taurine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Taurine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY XOAAWQZATWQOTB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021304 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001874.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001874.txt index 593ed82ac0d..dce9bd1860f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001874.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001874.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001874 -RECORD_TITLE: Taurine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Taurine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY XOAAWQZATWQOTB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021304 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001875.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001875.txt index 828e8202b85..c659d4cdb19 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001875.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001875.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001875 -RECORD_TITLE: Taurine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Taurine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY XOAAWQZATWQOTB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021304 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001876.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001876.txt index 0195ab2822e..e126933d6bf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001876.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001876.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001876 -RECORD_TITLE: Taurine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Taurine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY XOAAWQZATWQOTB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021304 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001877.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001877.txt index 2578bc15e94..434f1dee161 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001877.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001877.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001877 -RECORD_TITLE: L-Threonine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-Threonine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AYFVYJQAPQTCCC-GBXIJSLDSA-N CH$LINK: COMPTOX DTXSID2046412 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001878.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001878.txt index 1a76a0b67a1..740312d8b6a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001878.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001878.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001878 -RECORD_TITLE: L-Threonine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-Threonine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AYFVYJQAPQTCCC-GBXIJSLDSA-N CH$LINK: COMPTOX DTXSID2046412 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001879.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001879.txt index 23d68ab3e50..98d406281b3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001879.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001879.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001879 -RECORD_TITLE: L-Threonine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-Threonine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AYFVYJQAPQTCCC-GBXIJSLDSA-N CH$LINK: COMPTOX DTXSID2046412 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001880.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001880.txt index 431b7551e57..c336db09eca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001880.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001880.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001880 -RECORD_TITLE: L-Threonine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: L-Threonine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AYFVYJQAPQTCCC-GBXIJSLDSA-N CH$LINK: COMPTOX DTXSID2046412 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001881.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001881.txt index 6e3363ffaf8..83bede3352e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001881.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001881.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001881 -RECORD_TITLE: Thymidine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Thymidine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IQFYYKKMVGJFEH-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID5023661 CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001882.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001882.txt index 47d03eb5423..5da5404bb6a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001882.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001882.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001882 -RECORD_TITLE: Thymidine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Thymidine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IQFYYKKMVGJFEH-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID5023661 CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001883.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001883.txt index 612d7d79f36..4145a531fc8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001883.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001883.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001883 -RECORD_TITLE: Thymidine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Thymidine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IQFYYKKMVGJFEH-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID5023661 CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001884.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001884.txt index aef5d173153..04f0b561555 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001884.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001884.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001884 -RECORD_TITLE: Thymidine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Thymidine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IQFYYKKMVGJFEH-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID5023661 CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001885.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001885.txt index 2b6644a785a..ba484d614e4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001885.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001885.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001885 -RECORD_TITLE: Thymidine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Thymidine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IQFYYKKMVGJFEH-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID5023661 CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001886.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001886.txt index c1e4d4c7b56..cd6622402d6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001886.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001886.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001886 -RECORD_TITLE: Thymine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Thymine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RWQNBRDOKXIBIV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4052342 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001887.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001887.txt index 39319f0a8f1..a4d258f1693 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001887.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001887.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001887 -RECORD_TITLE: Thymine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Thymine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RWQNBRDOKXIBIV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4052342 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001888.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001888.txt index 3cd9ff10d98..50fdb9ee66c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001888.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001888.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001888 -RECORD_TITLE: Thymine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Thymine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RWQNBRDOKXIBIV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4052342 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001889.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001889.txt index 0a38454fe6e..66932931f75 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001889.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001889.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001889 -RECORD_TITLE: Thymine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Thymine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RWQNBRDOKXIBIV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4052342 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001890.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001890.txt index 86c95ecc41a..1b74efef9b6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001890.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001890.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001890 -RECORD_TITLE: Thymine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Thymine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RWQNBRDOKXIBIV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4052342 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001891.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001891.txt index 9ee2a2afb23..34445749598 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001891.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001891.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001891 -RECORD_TITLE: Tiglic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Tiglic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UIERETOOQGIECD-ONEGZZNKSA-N CH$LINK: COMPTOX DTXSID80883257 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001892.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001892.txt index 43f3f6661ad..d99071f2d90 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001892.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001892.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001892 -RECORD_TITLE: Tiglic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Tiglic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UIERETOOQGIECD-ONEGZZNKSA-N CH$LINK: COMPTOX DTXSID80883257 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001893.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001893.txt index 1d8035f32e1..2e830a6bcfc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001893.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001893.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001893 -RECORD_TITLE: Tiglic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Tiglic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UIERETOOQGIECD-ONEGZZNKSA-N CH$LINK: COMPTOX DTXSID80883257 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001894.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001894.txt index 0f799b333a7..652fc73ccc7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001894.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001894.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001894 -RECORD_TITLE: Tiglic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Tiglic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UIERETOOQGIECD-ONEGZZNKSA-N CH$LINK: COMPTOX DTXSID80883257 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001895.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001895.txt index 577d6f50688..01454dd9040 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001895.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001895.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001895 -RECORD_TITLE: allo-Threonine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: allo-Threonine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AYFVYJQAPQTCCC-HRFVKAFMSA-N CH$LINK: COMPTOX DTXSID10183151 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001896.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001896.txt index 0094309cfbd..fd915b2e328 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001896.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001896.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001896 -RECORD_TITLE: allo-Threonine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: allo-Threonine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AYFVYJQAPQTCCC-HRFVKAFMSA-N CH$LINK: COMPTOX DTXSID10183151 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001897.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001897.txt index e5d28579a23..a14df2f3129 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001897.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001897.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001897 -RECORD_TITLE: allo-Threonine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: allo-Threonine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AYFVYJQAPQTCCC-HRFVKAFMSA-N CH$LINK: COMPTOX DTXSID10183151 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001898.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001898.txt index cf53b63b0e0..7091b9f6466 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001898.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001898.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001898 -RECORD_TITLE: allo-Threonine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: allo-Threonine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AYFVYJQAPQTCCC-HRFVKAFMSA-N CH$LINK: COMPTOX DTXSID10183151 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001899.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001899.txt index e67ef70f3f7..00eb5dae63d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001899.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001899.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001899 -RECORD_TITLE: L-(+)-Tartaric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-(+)-Tartaric acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY FEWJPZIEWOKRBE-JCYAYHJZSA-N CH$LINK: COMPTOX DTXSID8023632 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001900.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001900.txt index 14abf4fb669..6ba2ac438c6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001900.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001900.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001900 -RECORD_TITLE: L-(+)-Tartaric acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-(+)-Tartaric acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY FEWJPZIEWOKRBE-JCYAYHJZSA-N CH$LINK: COMPTOX DTXSID8023632 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001901.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001901.txt index afefe149443..1ec5e98b190 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001901.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001901 -RECORD_TITLE: L-(+)-Tartaric acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-(+)-Tartaric acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY FEWJPZIEWOKRBE-JCYAYHJZSA-N CH$LINK: COMPTOX DTXSID8023632 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001902.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001902.txt index 0d60f2a193f..693894e53bb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001902.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001902 -RECORD_TITLE: L-(+)-Tartaric acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: L-(+)-Tartaric acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY FEWJPZIEWOKRBE-JCYAYHJZSA-N CH$LINK: COMPTOX DTXSID8023632 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001903.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001903.txt index c9b248313dc..0d5de936962 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001903.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001903 -RECORD_TITLE: L-(+)-Tartaric acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: L-(+)-Tartaric acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY FEWJPZIEWOKRBE-JCYAYHJZSA-N CH$LINK: COMPTOX DTXSID8023632 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001904.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001904.txt index 42240e05b3c..af97920870e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001904.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001904 -RECORD_TITLE: Theophylline; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Theophylline; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001905.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001905.txt index a17c3ff36ec..ad418dbdecb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001905.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001905 -RECORD_TITLE: Theophylline; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Theophylline; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001906.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001906.txt index be1ef04ae04..6976d1b9305 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001906.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001906.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001906 -RECORD_TITLE: Theophylline; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Theophylline; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001907.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001907.txt index 2d2f62d4fe4..4231797ab5e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001907.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001907 -RECORD_TITLE: Theophylline; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Theophylline; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001908.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001908.txt index 419c49e31fb..ec7a257b1ac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001908.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001908 -RECORD_TITLE: Theophylline; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Theophylline; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001909.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001909.txt index 563c7f745a9..8c3aafd4c85 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001909.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001909 -RECORD_TITLE: o-Toluic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: o-Toluic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ZWLPBLYKEWSWPD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6026161 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001910.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001910.txt index e4c6e0048e9..a78efd20dd2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001910.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001910.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001910 -RECORD_TITLE: o-Toluic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: o-Toluic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ZWLPBLYKEWSWPD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6026161 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001911.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001911.txt index c6dac6ec42d..4dca7bcf799 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001911.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001911.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001911 -RECORD_TITLE: o-Toluic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: o-Toluic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ZWLPBLYKEWSWPD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6026161 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001912.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001912.txt index 366d2a6c27c..c12a421326c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001912.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001912.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001912 -RECORD_TITLE: o-Toluic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: o-Toluic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ZWLPBLYKEWSWPD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6026161 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001913.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001913.txt index a2fe5e77930..d3d21784e26 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001913.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001913.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001913 -RECORD_TITLE: 3,3',5-Triiodothyronine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 3,3',5-Triiodothyronine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY AUYYCJSJGJYCDS-LBPRGKRZSA-N CH$LINK: COMPTOX DTXSID8023216 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001914.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001914.txt index b24ccf0fe7e..b2c274db641 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001914.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001914.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001914 -RECORD_TITLE: 3,3',5-Triiodothyronine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 3,3',5-Triiodothyronine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY AUYYCJSJGJYCDS-LBPRGKRZSA-N CH$LINK: COMPTOX DTXSID8023216 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001915.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001915.txt index 3e7cb04a7a0..6d7901458ff 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001915.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001915.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001915 -RECORD_TITLE: 3,3',5-Triiodothyronine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 3,3',5-Triiodothyronine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY AUYYCJSJGJYCDS-LBPRGKRZSA-N CH$LINK: COMPTOX DTXSID8023216 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001916.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001916.txt index d6ec110bc60..6cf644fe11d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001916.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001916.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001916 -RECORD_TITLE: 3,3',5-Triiodothyronine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 3,3',5-Triiodothyronine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY AUYYCJSJGJYCDS-LBPRGKRZSA-N CH$LINK: COMPTOX DTXSID8023216 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001917.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001917.txt index 72051432d41..0f8c7fc2c6e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001917.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001917.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001917 -RECORD_TITLE: 3,3',5-Triiodothyronine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 3,3',5-Triiodothyronine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY AUYYCJSJGJYCDS-LBPRGKRZSA-N CH$LINK: COMPTOX DTXSID8023216 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001918.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001918.txt index dc106522f13..80664c175d5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001918.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001918.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001918 -RECORD_TITLE: Taurocholic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Taurocholic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY WBWWGRHZICKQGZ-HZAMXZRMSA-N CH$LINK: COMPTOX DTXSID00883259 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001919.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001919.txt index 466d5927b55..4dd530c012e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001919.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001919.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001919 -RECORD_TITLE: Taurocholic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Taurocholic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY WBWWGRHZICKQGZ-HZAMXZRMSA-N CH$LINK: COMPTOX DTXSID00883259 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001920.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001920.txt index 840edd42fc6..18d1c7ff059 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001920.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001920.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001920 -RECORD_TITLE: Taurocholic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Taurocholic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY WBWWGRHZICKQGZ-HZAMXZRMSA-N CH$LINK: COMPTOX DTXSID00883259 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001921.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001921.txt index b8930a76b1e..0d57553830a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001921.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001921.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001921 -RECORD_TITLE: Taurocholic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Taurocholic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY WBWWGRHZICKQGZ-HZAMXZRMSA-N CH$LINK: COMPTOX DTXSID00883259 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001922.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001922.txt index 73b9f3a3797..5a5057436e9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001922.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001922.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001922 -RECORD_TITLE: Taurocholic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Taurocholic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY WBWWGRHZICKQGZ-HZAMXZRMSA-N CH$LINK: COMPTOX DTXSID00883259 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001923.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001923.txt index 8c1d6f04a86..d4266c9e96f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001923.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001923.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001923 -RECORD_TITLE: Tartronic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Tartronic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ROBFUDYVXSDBQM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6075358 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001924.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001924.txt index 95e85f6861b..e2322ca0081 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001924.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001924.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001924 -RECORD_TITLE: Tartronic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Tartronic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ROBFUDYVXSDBQM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6075358 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001925.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001925.txt index 51f1c25012c..0f3a5cb9b95 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001925.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001925.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001925 -RECORD_TITLE: Tartronic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Tartronic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ROBFUDYVXSDBQM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6075358 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001926.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001926.txt index 83818d89771..78f1b4aacc6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001926.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001926.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001926 -RECORD_TITLE: Tartronic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Tartronic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ROBFUDYVXSDBQM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6075358 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001927.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001927.txt index 0ae01916e83..abb13b0e450 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001927.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001927.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001927 -RECORD_TITLE: Tartronic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Tartronic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ROBFUDYVXSDBQM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6075358 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001928.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001928.txt index 7e65cf48d7a..70a53989c67 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001928.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001928.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001928 -RECORD_TITLE: Tryptophanamide; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Tryptophanamide; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:439356 CH$LINK: INCHIKEY JLSKPBDKNIXMBS-VIFPVBQESA-N CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001929.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001929.txt index b606ffb7ac1..74afccef78d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001929.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001929.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001929 -RECORD_TITLE: Tryptophanamide; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Tryptophanamide; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:439356 CH$LINK: INCHIKEY JLSKPBDKNIXMBS-VIFPVBQESA-N CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001930.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001930.txt index e989b0a2af2..7171a57743f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001930.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001930.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001930 -RECORD_TITLE: Tryptophanamide; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Tryptophanamide; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:439356 CH$LINK: INCHIKEY JLSKPBDKNIXMBS-VIFPVBQESA-N CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001931.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001931.txt index 664c3cf427f..c9ecaa3a1be 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001931.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001931.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001931 -RECORD_TITLE: Tryptophanamide; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Tryptophanamide; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:439356 CH$LINK: INCHIKEY JLSKPBDKNIXMBS-VIFPVBQESA-N CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001932.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001932.txt index 23b5ffaefbe..38110d9007a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001932.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001932.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001932 -RECORD_TITLE: Tryptophanamide; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Tryptophanamide; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:439356 CH$LINK: INCHIKEY JLSKPBDKNIXMBS-VIFPVBQESA-N CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001933.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001933.txt index e748ada8924..aaa26cdbd57 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001933.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001933.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001933 -RECORD_TITLE: Thiamine; LC-ESI-QQ; MS2; CE:10 V; [M-2H]- +RECORD_TITLE: Thiamine; LC-ESI-QQQ; MS2; CE:10 V; [M-2H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY JZRWCGZRTZMZEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50220251 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001934.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001934.txt index 8eee70ca4c6..2efeabf4d63 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001934.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001934.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001934 -RECORD_TITLE: Thiamine; LC-ESI-QQ; MS2; CE:20 V; [M-2H]- +RECORD_TITLE: Thiamine; LC-ESI-QQQ; MS2; CE:20 V; [M-2H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY JZRWCGZRTZMZEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50220251 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001935.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001935.txt index 6a30284919f..b810da907fd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001935.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001935.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001935 -RECORD_TITLE: Thiamine; LC-ESI-QQ; MS2; CE:30 V; [M-2H]- +RECORD_TITLE: Thiamine; LC-ESI-QQQ; MS2; CE:30 V; [M-2H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY JZRWCGZRTZMZEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50220251 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001936.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001936.txt index a73c2317446..fc4ef166731 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001936.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001936.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001936 -RECORD_TITLE: Thiamine; LC-ESI-QQ; MS2; CE:40 V; [M-2H]- +RECORD_TITLE: Thiamine; LC-ESI-QQQ; MS2; CE:40 V; [M-2H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY JZRWCGZRTZMZEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50220251 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001937.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001937.txt index 19519b376e0..5a3d0a82ddd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001937.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001937.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001937 -RECORD_TITLE: Thiamine; LC-ESI-QQ; MS2; CE:50 V; [M-2H]- +RECORD_TITLE: Thiamine; LC-ESI-QQQ; MS2; CE:50 V; [M-2H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY JZRWCGZRTZMZEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50220251 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001938.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001938.txt index f9884db9060..959c377cf4a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001938.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001938.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001938 -RECORD_TITLE: Thiamine monophosphate; LC-ESI-QQ; MS2; CE:10 V; [M-2H]- +RECORD_TITLE: Thiamine monophosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-2H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY HZSAJDVWZRBGIF-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID6048389 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001939.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001939.txt index 2fd2e2ba0f5..310bc581e6d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001939.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001939.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001939 -RECORD_TITLE: Thiamine monophosphate; LC-ESI-QQ; MS2; CE:20 V; [M-2H]- +RECORD_TITLE: Thiamine monophosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-2H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY HZSAJDVWZRBGIF-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID6048389 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001940.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001940.txt index 6f71add0e67..6c69ccf42af 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001940.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001940.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001940 -RECORD_TITLE: Thiamine monophosphate; LC-ESI-QQ; MS2; CE:30 V; [M-2H]- +RECORD_TITLE: Thiamine monophosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-2H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY HZSAJDVWZRBGIF-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID6048389 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001941.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001941.txt index 0af0ccea4aa..d2255c6a467 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001941.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001941.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001941 -RECORD_TITLE: Thiamine monophosphate; LC-ESI-QQ; MS2; CE:40 V; [M-2H]- +RECORD_TITLE: Thiamine monophosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-2H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY HZSAJDVWZRBGIF-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID6048389 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001942.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001942.txt index 8375c623a05..d86edaba445 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001942.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001942.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001942 -RECORD_TITLE: Thiamine monophosphate; LC-ESI-QQ; MS2; CE:50 V; [M-2H]- +RECORD_TITLE: Thiamine monophosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-2H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY HZSAJDVWZRBGIF-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID6048389 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001943.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001943.txt index 55f785c4b46..1dc56e056b7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001943.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001943.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001943 -RECORD_TITLE: Tropic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Tropic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JACRWUWPXAESPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862179 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001944.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001944.txt index 140a5d22dc0..8845603398d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001944.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001944.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001944 -RECORD_TITLE: Tropic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Tropic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JACRWUWPXAESPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862179 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001945.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001945.txt index 75ad20088e6..106dca2054d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001945.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001945.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001945 -RECORD_TITLE: Tropic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Tropic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JACRWUWPXAESPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862179 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001946.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001946.txt index 12d9b1bc082..5b815ea5b0a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001946.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001946.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001946 -RECORD_TITLE: Tropic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Tropic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JACRWUWPXAESPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862179 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001947.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001947.txt index da4c2460473..2abe2ece8cf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001947.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001947.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001947 -RECORD_TITLE: Tropic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Tropic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JACRWUWPXAESPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862179 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001948.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001948.txt index 6cf9ca87f0d..b9e599afc48 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001948.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001948.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001948 -RECORD_TITLE: Trehalose 6-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Trehalose 6-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:122336 CH$LINK: INCHIKEY LABSPYBHMPDTEL-LIZSDCNHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001949.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001949.txt index 11a58cb254e..86e8f55d349 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001949.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001949.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001949 -RECORD_TITLE: Trehalose 6-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Trehalose 6-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:122336 CH$LINK: INCHIKEY LABSPYBHMPDTEL-LIZSDCNHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001950.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001950.txt index e38a0e9f1fe..423d32af3a4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001950.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001950.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001950 -RECORD_TITLE: Trehalose 6-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Trehalose 6-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:122336 CH$LINK: INCHIKEY LABSPYBHMPDTEL-LIZSDCNHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001951.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001951.txt index b7740556de5..3eeb4b3a701 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001951.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001951.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001951 -RECORD_TITLE: Trehalose 6-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Trehalose 6-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:122336 CH$LINK: INCHIKEY LABSPYBHMPDTEL-LIZSDCNHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001952.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001952.txt index 150c79cb98e..2b20cc40d2e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001952.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001952.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001952 -RECORD_TITLE: Trehalose 6-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Trehalose 6-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:122336 CH$LINK: INCHIKEY LABSPYBHMPDTEL-LIZSDCNHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001953.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001953.txt index 569a839d337..9b3425aff03 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001953.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001953.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001953 -RECORD_TITLE: Taurolithocholic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Taurolithocholic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY HSNPMXROZIQAQD-GBURMNQMSA-N CH$LINK: COMPTOX DTXSID00934710 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001954.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001954.txt index 7d39c06033a..8ac43e98a2a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001954.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001954.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001954 -RECORD_TITLE: Taurolithocholic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Taurolithocholic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY QBYUNVOYXHFVKC-GBURMNQMSA-N CH$LINK: COMPTOX DTXSID20965925 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001955.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001955.txt index 17a7b3130aa..d689bf76739 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001955.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001955.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001955 -RECORD_TITLE: Taurolithocholic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Taurolithocholic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY QBYUNVOYXHFVKC-GBURMNQMSA-N CH$LINK: COMPTOX DTXSID20965925 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001956.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001956.txt index 189ce3ed5c0..d3e6da20888 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001956.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001956.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001956 -RECORD_TITLE: Taurolithocholic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Taurolithocholic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY QBYUNVOYXHFVKC-GBURMNQMSA-N CH$LINK: COMPTOX DTXSID20965925 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001957.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001957.txt index 40178591682..23c5764afcf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001957.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001957.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001957 -RECORD_TITLE: Taurolithocholic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Taurolithocholic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2010.02.10, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY QBYUNVOYXHFVKC-GBURMNQMSA-N CH$LINK: COMPTOX DTXSID20965925 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001958.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001958.txt index 55b2875f130..ac2777580a6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001958.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001958.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001958 -RECORD_TITLE: Terephthalic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Terephthalic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY KKEYFWRCBNTPAC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6026080 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001959.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001959.txt index 45dff905999..1c89f42b175 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001959.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001959.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001959 -RECORD_TITLE: Terephthalic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Terephthalic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY KKEYFWRCBNTPAC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6026080 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001960.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001960.txt index ce56bf5e32b..cbd8bfc358c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001960.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001960.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001960 -RECORD_TITLE: Terephthalic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Terephthalic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY KKEYFWRCBNTPAC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6026080 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001961.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001961.txt index 059fac1507b..abe7bdd3f41 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001961.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001961.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001961 -RECORD_TITLE: Terephthalic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Terephthalic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY KKEYFWRCBNTPAC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6026080 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001962.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001962.txt index 7803e9bff68..7718a44fdcb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001962.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001962.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001962 -RECORD_TITLE: Terephthalic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Terephthalic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY KKEYFWRCBNTPAC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6026080 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001963.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001963.txt index 2a248b61b97..23cdeff1817 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001963.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001963.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001963 -RECORD_TITLE: Triadimefon; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Triadimefon; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WURBVZBTWMNKQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023897 CH$LINK: ChemOnt CHEMONTID:0002341; Organic compounds; Benzenoids; Phenol ethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001964.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001964.txt index 2d72a7e686d..7cb7e2d3afa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001964.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001964.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001964 -RECORD_TITLE: Triadimefon; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Triadimefon; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WURBVZBTWMNKQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023897 CH$LINK: ChemOnt CHEMONTID:0002341; Organic compounds; Benzenoids; Phenol ethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001965.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001965.txt index 8f2b7e27dac..86cc8f518c7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001965.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001965.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001965 -RECORD_TITLE: Triadimefon; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Triadimefon; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WURBVZBTWMNKQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023897 CH$LINK: ChemOnt CHEMONTID:0002341; Organic compounds; Benzenoids; Phenol ethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001966.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001966.txt index 6f0ab042837..c8ae780312d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001966.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001966.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001966 -RECORD_TITLE: Triadimefon; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Triadimefon; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WURBVZBTWMNKQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023897 CH$LINK: ChemOnt CHEMONTID:0002341; Organic compounds; Benzenoids; Phenol ethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001967.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001967.txt index 4ce7aacc6dd..7d9d208f7ad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001967.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001967.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001967 -RECORD_TITLE: Triadimefon; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Triadimefon; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WURBVZBTWMNKQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023897 CH$LINK: ChemOnt CHEMONTID:0002341; Organic compounds; Benzenoids; Phenol ethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001968.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001968.txt index 8a0f3f501e0..0785cf3a5ac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001968.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001968.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001968 -RECORD_TITLE: 2,4,5-Trichlorophenoxyacetate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 2,4,5-Trichlorophenoxyacetate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY SMYMJHWAQXWPDB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021388 CH$LINK: ChemOnt CHEMONTID:0000417; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001969.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001969.txt index 72e1e8e3415..d5dc1927ce3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001969.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001969.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001969 -RECORD_TITLE: 2,4,5-Trichlorophenoxyacetate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 2,4,5-Trichlorophenoxyacetate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY SMYMJHWAQXWPDB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021388 CH$LINK: ChemOnt CHEMONTID:0000417; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001970.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001970.txt index 17a827cc409..e8d2a060c25 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001970.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001970.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001970 -RECORD_TITLE: 2,4,5-Trichlorophenoxyacetate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 2,4,5-Trichlorophenoxyacetate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY SMYMJHWAQXWPDB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021388 CH$LINK: ChemOnt CHEMONTID:0000417; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001971.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001971.txt index b383b7bae43..30176e7d746 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001971.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001971.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001971 -RECORD_TITLE: 2,4,5-Trichlorophenoxyacetate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: 2,4,5-Trichlorophenoxyacetate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY SMYMJHWAQXWPDB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021388 CH$LINK: ChemOnt CHEMONTID:0000417; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001972.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001972.txt index 9a56b905cea..fe327104315 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001972.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001972.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001972 -RECORD_TITLE: 2,4,5-Trichlorophenoxyacetate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: 2,4,5-Trichlorophenoxyacetate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY SMYMJHWAQXWPDB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021388 CH$LINK: ChemOnt CHEMONTID:0000417; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001973.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001973.txt index d324d0c1669..5c4062cb806 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001973.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001973.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001973 -RECORD_TITLE: Uracil; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Uracil; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY ISAKRJDGNUQOIC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021424 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001974.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001974.txt index 3a394a4e7d3..d798d956419 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001974.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001974.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001974 -RECORD_TITLE: Uracil; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Uracil; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY ISAKRJDGNUQOIC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021424 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001975.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001975.txt index 168c72d713d..4312ed3d1f8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001975.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001975.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001975 -RECORD_TITLE: Uracil; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Uracil; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY ISAKRJDGNUQOIC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021424 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001976.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001976.txt index 60b5a6d6446..9c09f8d5911 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001976.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001976.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001976 -RECORD_TITLE: Uracil; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Uracil; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY ISAKRJDGNUQOIC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021424 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001977.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001977.txt index 336da900531..dee3d03ec75 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001977.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001977.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001977 -RECORD_TITLE: Uracil; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Uracil; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY ISAKRJDGNUQOIC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021424 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001978.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001978.txt index 19524b83a9d..9eade6bd1fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001978.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001978.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001978 -RECORD_TITLE: Urocanic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Urocanic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY LOIYMIARKYCTBW-OWOJBTEDSA-N CH$LINK: COMPTOX DTXSID5041148 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001979.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001979.txt index d27d32c6546..ae7511db267 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001979.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001979.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001979 -RECORD_TITLE: Urocanic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Urocanic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY LOIYMIARKYCTBW-OWOJBTEDSA-N CH$LINK: COMPTOX DTXSID5041148 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001980.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001980.txt index 24f7f6cdd0a..dcdc4ee09dc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001980.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001980.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001980 -RECORD_TITLE: Urocanic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Urocanic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY LOIYMIARKYCTBW-OWOJBTEDSA-N CH$LINK: COMPTOX DTXSID5041148 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001981.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001981.txt index 6f5336775db..f7721b1cc1f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001981.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001981.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001981 -RECORD_TITLE: Urocanic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Urocanic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY LOIYMIARKYCTBW-OWOJBTEDSA-N CH$LINK: COMPTOX DTXSID5041148 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001982.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001982.txt index 391d2109c39..337aa52fba2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001982.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001982.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001982 -RECORD_TITLE: Urocanic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Urocanic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY LOIYMIARKYCTBW-OWOJBTEDSA-N CH$LINK: COMPTOX DTXSID5041148 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001983.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001983.txt index 8bca1ba4350..e95c3678067 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001983.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001983.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001983 -RECORD_TITLE: Undecanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Undecanoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ZDPHROOEEOARMN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021690 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001984.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001984.txt index e37ee3e177b..f021ecdb677 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001984.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001984.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001984 -RECORD_TITLE: Undecanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Undecanoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ZDPHROOEEOARMN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021690 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001985.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001985.txt index ad7fdfdfb30..86df75c3938 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001985.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001985.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001985 -RECORD_TITLE: Undecanoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Undecanoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ZDPHROOEEOARMN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021690 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001986.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001986.txt index ab79dfedae2..6ae98e13ddd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001986.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001986.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001986 -RECORD_TITLE: Undecanoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Undecanoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ZDPHROOEEOARMN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021690 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001987.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001987.txt index 66d38f70e2c..70c6067b349 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001987.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001987.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001987 -RECORD_TITLE: Undecanoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Undecanoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ZDPHROOEEOARMN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021690 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001988.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001988.txt index 51aff3349d4..28a14d75b9e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001988.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001988.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001988 -RECORD_TITLE: L-Valine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: L-Valine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY KZSNJWFQEVHDMF-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40883233 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001989.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001989.txt index f66f02ed11b..407db147fb8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001989.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001989.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001989 -RECORD_TITLE: L-Valine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: L-Valine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY KZSNJWFQEVHDMF-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40883233 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001990.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001990.txt index 7289cbe53a0..91e4ca19469 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001990.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001990.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001990 -RECORD_TITLE: L-Valine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: L-Valine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY KZSNJWFQEVHDMF-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40883233 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001991.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001991.txt index d3ec5f2842a..e727825df98 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001991.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001991.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001991 -RECORD_TITLE: Pentanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Pentanoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY NQPDZGIKBAWPEJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021655 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001992.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001992.txt index 32f5e70c067..1327719fe3c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001992.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001992.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001992 -RECORD_TITLE: Pentanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Pentanoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY NQPDZGIKBAWPEJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021655 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001993.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001993.txt index 1724044c5ab..49a1036d420 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001993.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001993.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001993 -RECORD_TITLE: Pentanoic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Pentanoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY NQPDZGIKBAWPEJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021655 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001994.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001994.txt index 425b53a62a6..d4a59ac78e0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001994.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001994.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001994 -RECORD_TITLE: Pentanoic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Pentanoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY NQPDZGIKBAWPEJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021655 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001995.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001995.txt index 8f15c150296..ec48b074d7d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001995.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001995.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001995 -RECORD_TITLE: Pentanoic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Pentanoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY NQPDZGIKBAWPEJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021655 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001996.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001996.txt index 805b3a8bbcd..65783256d6b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001996.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001996.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001996 -RECORD_TITLE: Valproic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Valproic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NIJJYAXOARWZEE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023733 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001997.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001997.txt index 82e792fee67..7e7666144b3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001997.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001997.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001997 -RECORD_TITLE: Valproic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Valproic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NIJJYAXOARWZEE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023733 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001998.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001998.txt index c3b7c4e72d9..f86d267e553 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001998.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001998.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001998 -RECORD_TITLE: Valproic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Valproic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NIJJYAXOARWZEE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023733 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO001999.txt b/Keio_Univ/MSBNK-Keio_Univ-KO001999.txt index 7f2546763f7..cb0dd3314c7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO001999.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO001999.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO001999 -RECORD_TITLE: Valproic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Valproic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NIJJYAXOARWZEE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023733 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002000.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002000.txt index 89441a88f0d..049b390556d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002000.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002000.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002000 -RECORD_TITLE: Valproic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Valproic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NIJJYAXOARWZEE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023733 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002001.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002001.txt index cc9ae663785..e6c35c3e31d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002001.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002001 -RECORD_TITLE: Valproic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Valproic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NIJJYAXOARWZEE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023733 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002002.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002002.txt index 1e8501f6a62..750c7243f1c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002002.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002002 -RECORD_TITLE: Valproic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Valproic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NIJJYAXOARWZEE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023733 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002003.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002003.txt index f5ce16e70de..3ecbccdbd56 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002003.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002003 -RECORD_TITLE: Xanthurenic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Xanthurenic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY FBZONXHGGPHHIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90207728 CH$LINK: ChemOnt CHEMONTID:0002552; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002004.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002004.txt index 8e77d680c86..06d5d815100 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002004.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002004 -RECORD_TITLE: Xanthurenic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Xanthurenic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY FBZONXHGGPHHIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90207728 CH$LINK: ChemOnt CHEMONTID:0002552; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002005.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002005.txt index 47f067fdda6..212a853b313 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002005.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002005 -RECORD_TITLE: Xanthurenic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Xanthurenic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY FBZONXHGGPHHIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90207728 CH$LINK: ChemOnt CHEMONTID:0002552; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002006.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002006.txt index d809ee00da6..c5f381833f0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002006.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002006.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002006 -RECORD_TITLE: Xanthurenic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Xanthurenic acid; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY FBZONXHGGPHHIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90207728 CH$LINK: ChemOnt CHEMONTID:0002552; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002007.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002007.txt index 02057404a4d..95720de0895 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002007.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002007 -RECORD_TITLE: Xanthurenic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Xanthurenic acid; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY FBZONXHGGPHHIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90207728 CH$LINK: ChemOnt CHEMONTID:0002552; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002008.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002008.txt index 5f82601b66d..053cf149207 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002008.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002008 -RECORD_TITLE: Xylose 1-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Xylose 1-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:440102 CH$LINK: INCHIKEY ILXHFXFPPZGENN-KKQCNMDGSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002009.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002009.txt index abb02b8273d..5558088da80 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002009.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002009 -RECORD_TITLE: Xylose 1-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Xylose 1-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:440102 CH$LINK: INCHIKEY ILXHFXFPPZGENN-KKQCNMDGSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002010.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002010.txt index e376c3e2d4f..c746c9898df 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002010.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002010.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002010 -RECORD_TITLE: Xylose 1-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Xylose 1-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:440102 CH$LINK: INCHIKEY ILXHFXFPPZGENN-KKQCNMDGSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002011.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002011.txt index 9639fb11f91..cfe22352f20 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002011.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002011.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002011 -RECORD_TITLE: Xylose 1-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Xylose 1-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:440102 CH$LINK: INCHIKEY ILXHFXFPPZGENN-KKQCNMDGSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002012.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002012.txt index 2cc4f88f5bf..ee92c18d747 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002012.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002012.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002012 -RECORD_TITLE: Xylose 1-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Xylose 1-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:440102 CH$LINK: INCHIKEY ILXHFXFPPZGENN-KKQCNMDGSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002013.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002013.txt index 12ef08f3c61..a87b0ce103d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002013.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002013.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002013 -RECORD_TITLE: Zalcitabine; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Zalcitabine; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY WREGKURFCTUGRC-POYBYMJQSA-N CH$LINK: COMPTOX DTXSID0023747 CH$LINK: ChemOnt CHEMONTID:0002182; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2',3'-dideoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002014.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002014.txt index b513a34ade4..e0f650ab083 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002014.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002014.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002014 -RECORD_TITLE: Zalcitabine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Zalcitabine; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY WREGKURFCTUGRC-POYBYMJQSA-N CH$LINK: COMPTOX DTXSID0023747 CH$LINK: ChemOnt CHEMONTID:0002182; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2',3'-dideoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002015.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002015.txt index 0a0b31dfac0..8b69cecf0fe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002015.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002015.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002015 -RECORD_TITLE: Zalcitabine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Zalcitabine; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY WREGKURFCTUGRC-POYBYMJQSA-N CH$LINK: COMPTOX DTXSID0023747 CH$LINK: ChemOnt CHEMONTID:0002182; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2',3'-dideoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002016.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002016.txt index 5ebcf916ee3..95bb6508d5b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002016.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002016.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002016 -RECORD_TITLE: Zalcitabine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Zalcitabine; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY WREGKURFCTUGRC-POYBYMJQSA-N CH$LINK: COMPTOX DTXSID0023747 CH$LINK: ChemOnt CHEMONTID:0002182; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2',3'-dideoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002017.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002017.txt index 1ad874d657c..3cad3206e2e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002017.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002017.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002017 -RECORD_TITLE: Zalcitabine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Zalcitabine; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY WREGKURFCTUGRC-POYBYMJQSA-N CH$LINK: COMPTOX DTXSID0023747 CH$LINK: ChemOnt CHEMONTID:0002182; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2',3'-dideoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002018.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002018.txt index 4e8492e1a39..849bee7ba39 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002018.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002018.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002018 -RECORD_TITLE: trans-Zeatin; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: trans-Zeatin; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002019.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002019.txt index 06d612ae2f0..5403c3f5762 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002019.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002019.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002019 -RECORD_TITLE: trans-Zeatin; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: trans-Zeatin; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002020.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002020.txt index 364c116ea51..d2c3e642c48 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002020.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002020.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002020 -RECORD_TITLE: trans-Zeatin; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: trans-Zeatin; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002021.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002021.txt index 88a7f526448..4f57b9fb067 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002021.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002021.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002021 -RECORD_TITLE: trans-Zeatin; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: trans-Zeatin; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002022.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002022.txt index e54b3926c1b..fddc10a8f74 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002022.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002022.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002022 -RECORD_TITLE: trans-Zeatin; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: trans-Zeatin; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002023.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002023.txt index 03991266d90..079c6af1694 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002023.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002023.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002023 -RECORD_TITLE: Z-Gly-Pro; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Z-Gly-Pro; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439540 CH$LINK: INCHIKEY ZTUKZKYDJMGJDC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002024.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002024.txt index 989d5237135..80bd843f7ce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002024.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002024.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002024 -RECORD_TITLE: Z-Gly-Pro; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Z-Gly-Pro; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439540 CH$LINK: INCHIKEY ZTUKZKYDJMGJDC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002025.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002025.txt index ddc68954a41..58926e683f1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002025.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002025.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002025 -RECORD_TITLE: Z-Gly-Pro; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Z-Gly-Pro; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439540 CH$LINK: INCHIKEY ZTUKZKYDJMGJDC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002026.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002026.txt index 90ca68ce81e..053ba603997 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002026.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002026.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002026 -RECORD_TITLE: Z-Gly-Pro; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Z-Gly-Pro; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439540 CH$LINK: INCHIKEY ZTUKZKYDJMGJDC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002027.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002027.txt index c82efb97227..9cf92b07118 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002027.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002027.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002027 -RECORD_TITLE: Z-Gly-Pro; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Z-Gly-Pro; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439540 CH$LINK: INCHIKEY ZTUKZKYDJMGJDC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002028.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002028.txt index 06858b66cc1..0ee069c4048 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002028.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002028.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002028 -RECORD_TITLE: GABA; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: GABA; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6035106 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002029.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002029.txt index 02adc9ffb62..175c180fd51 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002029.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002029.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002029 -RECORD_TITLE: GABA; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: GABA; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6035106 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002030.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002030.txt index c9a641aa864..c13be48990a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002030.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002030.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002030 -RECORD_TITLE: GABA; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: GABA; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6035106 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002031.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002031.txt index dd683b8e296..becb603f452 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002031.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002031.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002031 -RECORD_TITLE: GABA; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: GABA; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6035106 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002032.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002032.txt index b85043b2a21..242c635392e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002032.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002032.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002032 -RECORD_TITLE: GABA; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: GABA; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6035106 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002038.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002038.txt index c5b8d28f645..f5e6aaddb5d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002038.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002038.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002038 -RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Adenosine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N CH$LINK: COMPTOX DTXSID1022558 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002039.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002039.txt index 403e51ca5dc..ec06864faf4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002039.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002039.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002039 -RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Adenosine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N CH$LINK: COMPTOX DTXSID1022558 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002040.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002040.txt index 60f0cc03813..a355ad352ba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002040.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002040.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002040 -RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Adenosine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N CH$LINK: COMPTOX DTXSID1022558 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002041.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002041.txt index 503310e79cd..f0d5a77280d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002041.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002041.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002041 -RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Adenosine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N CH$LINK: COMPTOX DTXSID1022558 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002042.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002042.txt index f2622c292c3..47a07f81b6a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002042.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002042.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002042 -RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Adenosine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N CH$LINK: COMPTOX DTXSID1022558 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002043.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002043.txt index 47f854c6674..282b1a92bd8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002043.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002043.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002043 -RECORD_TITLE: Anthranilic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Anthranilic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002044.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002044.txt index 4f0e9009e21..9ff3b675272 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002044.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002044.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002044 -RECORD_TITLE: Anthranilic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Anthranilic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002045.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002045.txt index a8d5cb30766..fc89c4c65a8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002045.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002045.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002045 -RECORD_TITLE: Anthranilic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Anthranilic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002046.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002046.txt index 7969886a5af..9e8355f8033 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002046.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002046.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002046 -RECORD_TITLE: Anthranilic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Anthranilic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002047.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002047.txt index 2b98789c850..267e7ecaf74 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002047.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002047.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002047 -RECORD_TITLE: Anthranilic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Anthranilic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002048.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002048.txt index 19268a43a70..9bfdc0e4f74 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002048.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002048.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002048 -RECORD_TITLE: D-Ala; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: D-Ala; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-UWTATZPHSA-N CH$LINK: COMPTOX DTXSID3045649 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002049.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002049.txt index 30ed9c9f22b..6ff28c64240 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002049.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002049.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002049 -RECORD_TITLE: D-Ala; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: D-Ala; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-UWTATZPHSA-N CH$LINK: COMPTOX DTXSID3045649 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002050.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002050.txt index 9b9d98e26c6..eb20f2a1154 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002050.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002050.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002050 -RECORD_TITLE: D-Ala; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: D-Ala; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-UWTATZPHSA-N CH$LINK: COMPTOX DTXSID3045649 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002051.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002051.txt index 845663ad8f8..b6d141866ac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002051.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002051.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002051 -RECORD_TITLE: D-Ala; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: D-Ala; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-UWTATZPHSA-N CH$LINK: COMPTOX DTXSID3045649 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002052.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002052.txt index 485f505d549..38fe4e46d7a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002052.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002052.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002052 -RECORD_TITLE: D-Ala; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: D-Ala; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-UWTATZPHSA-N CH$LINK: COMPTOX DTXSID3045649 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002053.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002053.txt index 128ee4a8f99..6228f5b1112 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002053.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002053.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002053 -RECORD_TITLE: L-Alanine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-Alanine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20873899 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002054.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002054.txt index 913d05ebce6..779166bc705 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002054.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002054.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002054 -RECORD_TITLE: L-Alanine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-Alanine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20873899 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002055.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002055.txt index 48b2ae6d09b..234fb69d8a7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002055.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002055.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002055 -RECORD_TITLE: L-Alanine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-Alanine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20873899 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002056.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002056.txt index c46acc98cf8..dcf9557e26b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002056.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002056.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002056 -RECORD_TITLE: L-Alanine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-Alanine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20873899 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002057.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002057.txt index 49450d9ba70..4bc0cb1b297 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002057.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002057.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002057 -RECORD_TITLE: L-Alanine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-Alanine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20873899 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002058.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002058.txt index e9e5d46b87b..07b7339fd58 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002058.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002058.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002058 -RECORD_TITLE: L-Asparagine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-Asparagine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DCXYFEDJOCDNAF-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID10883220 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002059.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002059.txt index 3304b0bfd99..9fe0708c5c7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002059.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002059.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002059 -RECORD_TITLE: L-Asparagine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-Asparagine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DCXYFEDJOCDNAF-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID10883220 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002060.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002060.txt index 0f4958a1f8b..98756007649 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002060.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002060.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002060 -RECORD_TITLE: L-Asparagine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-Asparagine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DCXYFEDJOCDNAF-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID10883220 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002061.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002061.txt index bc9078b0624..6a6b123cc4e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002061.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002061.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002061 -RECORD_TITLE: L-Asparagine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-Asparagine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DCXYFEDJOCDNAF-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID10883220 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002062.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002062.txt index f8528d7c8a2..10f6818303d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002062.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002062.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002062 -RECORD_TITLE: L-Asparagine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-Asparagine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DCXYFEDJOCDNAF-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID10883220 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002063.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002063.txt index 793a4e44564..024eda20ab8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002063.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002063.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002063 -RECORD_TITLE: L-Aspartic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-Aspartic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY CKLJMWTZIZZHCS-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID7022621 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002064.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002064.txt index 1af8102dfbb..5614c1af43b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002064.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002064.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002064 -RECORD_TITLE: L-Aspartic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-Aspartic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY CKLJMWTZIZZHCS-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID7022621 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002065.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002065.txt index 3b84c9fdb77..5d40e116ebd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002065.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002065.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002065 -RECORD_TITLE: L-Aspartic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-Aspartic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY CKLJMWTZIZZHCS-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID7022621 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002066.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002066.txt index ee4621d048e..2ccbcbcd623 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002066.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002066.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002066 -RECORD_TITLE: L-Aspartic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-Aspartic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY CKLJMWTZIZZHCS-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID7022621 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002067.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002067.txt index d2a57b5a5b0..894f8898af4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002067.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002067.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002067 -RECORD_TITLE: L-Aspartic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-Aspartic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY CKLJMWTZIZZHCS-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID7022621 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002068.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002068.txt index bf72e1abc43..e94ade41835 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002068.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002068.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002068 -RECORD_TITLE: N-Acetylneuraminic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: N-Acetylneuraminic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-LUWBGTNYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002069.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002069.txt index b5e9b89a992..3b332e4f481 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002069.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002069.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002069 -RECORD_TITLE: N-Acetylneuraminic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: N-Acetylneuraminic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-LUWBGTNYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002070.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002070.txt index 7393e16bc60..4db59d70171 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002070.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002070.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002070 -RECORD_TITLE: N-Acetylneuraminic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: N-Acetylneuraminic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-LUWBGTNYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002071.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002071.txt index 9fbb5d0e59d..0476b0f7ccb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002071.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002071.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002071 -RECORD_TITLE: N-Acetylneuraminic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: N-Acetylneuraminic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-LUWBGTNYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002072.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002072.txt index 62ce1652f3b..6a49c59e78f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002072.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002072.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002072 -RECORD_TITLE: N-Acetylneuraminic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: N-Acetylneuraminic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-LUWBGTNYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002073.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002073.txt index 32c7a63b9b5..5de0554c2dd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002073.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002073.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002073 -RECORD_TITLE: S-Adenosylmethionine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: S-Adenosylmethionine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MEFKEPWMEQBLKI-AIRLBKTGSA-O CH$LINK: COMPTOX DTXSID20110014 CH$LINK: ChemOnt CHEMONTID:0004503; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002074.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002074.txt index fefc9bbfe9c..924ab064740 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002074.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002074.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002074 -RECORD_TITLE: S-Adenosylmethionine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: S-Adenosylmethionine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MEFKEPWMEQBLKI-AIRLBKTGSA-O CH$LINK: COMPTOX DTXSID20110014 CH$LINK: ChemOnt CHEMONTID:0004503; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002075.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002075.txt index 0b21493d05b..b51f289b6be 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002075.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002075.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002075 -RECORD_TITLE: S-Adenosylmethionine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: S-Adenosylmethionine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MEFKEPWMEQBLKI-AIRLBKTGSA-O CH$LINK: COMPTOX DTXSID20110014 CH$LINK: ChemOnt CHEMONTID:0004503; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002076.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002076.txt index 9070e69cd16..09fd36228b7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002076.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002076.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002076 -RECORD_TITLE: S-Adenosylmethionine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: S-Adenosylmethionine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MEFKEPWMEQBLKI-AIRLBKTGSA-O CH$LINK: COMPTOX DTXSID20110014 CH$LINK: ChemOnt CHEMONTID:0004503; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002077.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002077.txt index b46c6a1e17e..2a59610cbf1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002077.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002077.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002077 -RECORD_TITLE: S-Adenosylmethionine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: S-Adenosylmethionine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MEFKEPWMEQBLKI-AIRLBKTGSA-O CH$LINK: COMPTOX DTXSID20110014 CH$LINK: ChemOnt CHEMONTID:0004503; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002078.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002078.txt index 25c1f910b5b..54388e86bc9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002078.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002078.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002078 -RECORD_TITLE: beta-Alanine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: beta-Alanine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY UCMIRNVEIXFBKS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0030823 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002079.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002079.txt index 8e827b589a6..a2188606694 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002079.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002079.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002079 -RECORD_TITLE: beta-Alanine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: beta-Alanine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY UCMIRNVEIXFBKS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0030823 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002080.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002080.txt index c75f4558927..9820c4fabb7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002080.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002080.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002080 -RECORD_TITLE: beta-Alanine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: beta-Alanine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY UCMIRNVEIXFBKS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0030823 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002081.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002081.txt index 1c575ba7719..b0ee85ef50a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002081.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002081.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002081 -RECORD_TITLE: beta-Alanine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: beta-Alanine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY UCMIRNVEIXFBKS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0030823 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002082.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002082.txt index 172b98f9a79..506c6dd1631 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002082.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002082.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002082 -RECORD_TITLE: beta-Alanine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: beta-Alanine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY UCMIRNVEIXFBKS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0030823 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002083.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002083.txt index f92106936e7..9c5eab3adcd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002083.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002083.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002083 -RECORD_TITLE: N-Acetyl-L-glutamic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: N-Acetyl-L-glutamic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY RFMMMVDNIPUKGG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID3046534 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002084.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002084.txt index 2192b27bfbb..5e373ee4799 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002084.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002084.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002084 -RECORD_TITLE: N-Acetyl-L-glutamic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: N-Acetyl-L-glutamic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY RFMMMVDNIPUKGG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID3046534 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002085.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002085.txt index f62f5a9ab18..34e08a09f47 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002085.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002085.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002085 -RECORD_TITLE: N-Acetyl-L-glutamic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: N-Acetyl-L-glutamic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY RFMMMVDNIPUKGG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID3046534 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002086.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002086.txt index 55bd6589d9a..570283872d4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002086.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002086.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002086 -RECORD_TITLE: N-Acetyl-L-glutamic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: N-Acetyl-L-glutamic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY RFMMMVDNIPUKGG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID3046534 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002087.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002087.txt index 1e8406064ed..6fe59241137 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002087.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002087.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002087 -RECORD_TITLE: N-Acetyl-L-glutamic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: N-Acetyl-L-glutamic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY RFMMMVDNIPUKGG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID3046534 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002088.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002088.txt index fe2aa051510..e4911c18e54 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002088.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002088.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002088 -RECORD_TITLE: N-alpha-Acetyl-L-ornithine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: N-alpha-Acetyl-L-ornithine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JRLGPAXAGHMNOL-LURJTMIESA-N CH$LINK: COMPTOX DTXSID80331400 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002089.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002089.txt index 13fac3c4d47..fb7aafbfb82 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002089.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002089.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002089 -RECORD_TITLE: N-alpha-Acetyl-L-ornithine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: N-alpha-Acetyl-L-ornithine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JRLGPAXAGHMNOL-LURJTMIESA-N CH$LINK: COMPTOX DTXSID80331400 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002090.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002090.txt index b5f15dfcaa1..3a5125cf36d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002090.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002090.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002090 -RECORD_TITLE: N-alpha-Acetyl-L-ornithine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: N-alpha-Acetyl-L-ornithine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JRLGPAXAGHMNOL-LURJTMIESA-N CH$LINK: COMPTOX DTXSID80331400 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002091.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002091.txt index 46304b48f24..932e1ef7eef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002091.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002091.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002091 -RECORD_TITLE: N-alpha-Acetyl-L-ornithine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: N-alpha-Acetyl-L-ornithine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JRLGPAXAGHMNOL-LURJTMIESA-N CH$LINK: COMPTOX DTXSID80331400 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002092.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002092.txt index 20755ddffda..401b895ffc5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002092.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002092.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002092 -RECORD_TITLE: N-alpha-Acetyl-L-ornithine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: N-alpha-Acetyl-L-ornithine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JRLGPAXAGHMNOL-LURJTMIESA-N CH$LINK: COMPTOX DTXSID80331400 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002093.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002093.txt index 25f2afc0f84..afc460f59a6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002093.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002093.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002093 -RECORD_TITLE: 4-Aminoindole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 4-Aminoindole; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY LUNUNJFSHKSXGQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50342629 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002094.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002094.txt index 1ba76261cbf..ca1037598ec 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002094.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002094.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002094 -RECORD_TITLE: 4-Aminoindole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 4-Aminoindole; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY LUNUNJFSHKSXGQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50342629 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002095.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002095.txt index 28bde8d0468..048846dd345 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002095.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002095.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002095 -RECORD_TITLE: 4-Aminoindole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 4-Aminoindole; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY LUNUNJFSHKSXGQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50342629 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002096.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002096.txt index 6711d49c434..355876853c3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002096.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002096.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002096 -RECORD_TITLE: 4-Aminoindole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 4-Aminoindole; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY LUNUNJFSHKSXGQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50342629 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002097.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002097.txt index 10506e34f40..49d91d5b356 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002097.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002097.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002097 -RECORD_TITLE: 4-Aminoindole; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 4-Aminoindole; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY LUNUNJFSHKSXGQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50342629 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002098.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002098.txt index 4f02c634d68..64ed0610c12 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002098.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002098.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002098 -RECORD_TITLE: 5-Aminoindole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 5-Aminoindole; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY ZCBIFHNDZBSCEP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5063734 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002099.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002099.txt index ddb629d84a5..8833082ce49 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002099.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002099.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002099 -RECORD_TITLE: 5-Aminoindole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 5-Aminoindole; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY ZCBIFHNDZBSCEP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5063734 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002100.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002100.txt index 89cbc28c006..539a6edf282 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002100.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002100.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002100 -RECORD_TITLE: 5-Aminoindole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 5-Aminoindole; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY ZCBIFHNDZBSCEP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5063734 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002101.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002101.txt index 6fef98e5003..5ff2237cf6e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002101.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002101 -RECORD_TITLE: 5-Aminoindole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 5-Aminoindole; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY ZCBIFHNDZBSCEP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5063734 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002102.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002102.txt index 20088fbd4a7..abbd306936c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002102.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002102 -RECORD_TITLE: 5-Aminoindole; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 5-Aminoindole; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY ZCBIFHNDZBSCEP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5063734 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002103.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002103.txt index 80236281ab8..e185539357c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002103.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002103 -RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002104.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002104.txt index 7e2f95750ef..f74b8320068 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002104.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002104 -RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002105.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002105.txt index 0752134a6a1..c240afce4f8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002105.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002105 -RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002106.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002106.txt index 903890f0d16..f5269958719 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002106.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002106 -RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002107.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002107.txt index 8ea14eac4a9..2ab461ba78e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002107.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002107 -RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Adenylosuccinic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:447145 CH$LINK: INCHIKEY OFBHPPMPBOJXRT-VWJPMABRSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002108.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002108.txt index 5f14fac038e..92a9fddaee3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002108.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002108 -RECORD_TITLE: Argininosuccinic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Argininosuccinic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KDZOASGQNOPSCU-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID80178574 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002109.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002109.txt index f7f1c037e58..fb544d8148d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002109.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002109 -RECORD_TITLE: Argininosuccinic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Argininosuccinic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KDZOASGQNOPSCU-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID80178574 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002110.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002110.txt index 2792748c9b1..d76ccd4b631 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002110.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002110.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002110 -RECORD_TITLE: Argininosuccinic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Argininosuccinic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KDZOASGQNOPSCU-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID80178574 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002111.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002111.txt index e3240c10456..fd4681fd56b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002111.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002111.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002111 -RECORD_TITLE: Argininosuccinic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Argininosuccinic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KDZOASGQNOPSCU-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID80178574 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002112.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002112.txt index 66347a94991..7a4df9adef4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002112.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002112.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002112 -RECORD_TITLE: Argininosuccinic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Argininosuccinic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KDZOASGQNOPSCU-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID80178574 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002113.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002113.txt index d3e3578dd0e..391ed533707 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002113.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002113.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002113 -RECORD_TITLE: 2-Aminobenzimidazole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 2-Aminobenzimidazole; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JWYUFVNJZUSCSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024465 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002114.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002114.txt index 82c413c7101..90ecf3af404 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002114.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002114.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002114 -RECORD_TITLE: 2-Aminobenzimidazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 2-Aminobenzimidazole; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JWYUFVNJZUSCSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024465 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002115.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002115.txt index f34922ad4a4..2e599ab9ae0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002115.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002115.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002115 -RECORD_TITLE: 2-Aminobenzimidazole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 2-Aminobenzimidazole; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JWYUFVNJZUSCSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024465 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002116.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002116.txt index 5d226bc1e30..739665a3aa8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002116.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002116.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002116 -RECORD_TITLE: 2-Aminobenzimidazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 2-Aminobenzimidazole; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JWYUFVNJZUSCSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024465 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002117.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002117.txt index d2eddc7a16e..11f99926ff8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002117.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002117.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002117 -RECORD_TITLE: 2-Aminobenzimidazole; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 2-Aminobenzimidazole; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JWYUFVNJZUSCSM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024465 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002118.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002118.txt index 28b12d86927..43fa4a109ef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002118.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002118.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002118 -RECORD_TITLE: 4-Aminobenzoic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 4-Aminobenzoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024466 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002119.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002119.txt index 5723076a15c..efba9462299 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002119.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002119.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002119 -RECORD_TITLE: 4-Aminobenzoic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 4-Aminobenzoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024466 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002120.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002120.txt index ecafca3b0df..642ee103a97 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002120.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002120.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002120 -RECORD_TITLE: 4-Aminobenzoic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 4-Aminobenzoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024466 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002121.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002121.txt index 3f3e554d72e..d0885c55fd9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002121.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002121.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002121 -RECORD_TITLE: 4-Aminobenzoic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 4-Aminobenzoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024466 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002122.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002122.txt index 57368123e90..4082bebd0d1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002122.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002122.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002122 -RECORD_TITLE: 4-Aminobenzoic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 4-Aminobenzoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024466 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002123.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002123.txt index 631008c10e4..b7622525c68 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002123.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002123.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002123 -RECORD_TITLE: 3-Aminopropionitrile; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 3-Aminopropionitrile; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY AGSPXMVUFBBBMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6048418 CH$LINK: ChemOnt CHEMONTID:0004504; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Organic cyanides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002124.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002124.txt index b9314fc2125..498b0249a6e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002124.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002124.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002124 -RECORD_TITLE: 3-Aminopropionitrile; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 3-Aminopropionitrile; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY AGSPXMVUFBBBMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6048418 CH$LINK: ChemOnt CHEMONTID:0004504; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Organic cyanides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002125.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002125.txt index fb9f5209bd6..93dffbe2756 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002125.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002125.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002125 -RECORD_TITLE: 3-Aminopropionitrile; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 3-Aminopropionitrile; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY AGSPXMVUFBBBMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6048418 CH$LINK: ChemOnt CHEMONTID:0004504; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Organic cyanides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002126.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002126.txt index e9910f73caa..cf5a93001f5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002126.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002126.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002126 -RECORD_TITLE: 3-Aminopropionitrile; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 3-Aminopropionitrile; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY AGSPXMVUFBBBMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6048418 CH$LINK: ChemOnt CHEMONTID:0004504; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Organic cyanides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002127.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002127.txt index 553dc2e3a22..d8364891b6f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002127.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002127.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002127 -RECORD_TITLE: 3-Aminopropionitrile; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 3-Aminopropionitrile; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY AGSPXMVUFBBBMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6048418 CH$LINK: ChemOnt CHEMONTID:0004504; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Organic cyanides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002128.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002128.txt index 8dc85802f5c..8c2647dfb00 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002128.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002128.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002128 -RECORD_TITLE: 3-Amino-1,2,4-triazole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 3-Amino-1,2,4-triazole; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY KLSJWNVTNUYHDU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020076 CH$LINK: ChemOnt CHEMONTID:0000099; Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002129.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002129.txt index 770e56037e4..d20eb77f7ca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002129.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002129.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002129 -RECORD_TITLE: 3-Amino-1,2,4-triazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 3-Amino-1,2,4-triazole; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY KLSJWNVTNUYHDU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020076 CH$LINK: ChemOnt CHEMONTID:0000099; Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002130.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002130.txt index 68097d11e6a..746947e0793 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002130.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002130.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002130 -RECORD_TITLE: 3-Amino-1,2,4-triazole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 3-Amino-1,2,4-triazole; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY KLSJWNVTNUYHDU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020076 CH$LINK: ChemOnt CHEMONTID:0000099; Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002131.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002131.txt index 994169a4a46..b3f97d94a21 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002131.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002131.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002131 -RECORD_TITLE: 3-Amino-1,2,4-triazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 3-Amino-1,2,4-triazole; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY KLSJWNVTNUYHDU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020076 CH$LINK: ChemOnt CHEMONTID:0000099; Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002132.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002132.txt index fdc3f2adc13..f47558ab51f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002132.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002132.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002132 -RECORD_TITLE: 3-Amino-1,2,4-triazole; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 3-Amino-1,2,4-triazole; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY KLSJWNVTNUYHDU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020076 CH$LINK: ChemOnt CHEMONTID:0000099; Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002133.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002133.txt index feeb43c4bb2..5c03eb3568a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002133.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002133.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002133 -RECORD_TITLE: 3-Amino-1,2-propanediol; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 3-Amino-1,2-propanediol; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY KQIGMPWTAHJUMN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30862294 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002134.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002134.txt index 1c3d951dd14..f85170e7e3a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002134.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002134.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002134 -RECORD_TITLE: 3-Amino-1,2-propanediol; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 3-Amino-1,2-propanediol; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY KQIGMPWTAHJUMN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30862294 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002135.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002135.txt index 28a0be36178..bc0cfb66ccb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002135.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002135.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002135 -RECORD_TITLE: 3-Amino-1,2-propanediol; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 3-Amino-1,2-propanediol; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY KQIGMPWTAHJUMN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30862294 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002136.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002136.txt index 6b55a2cca32..aaf4a079ad0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002136.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002136.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002136 -RECORD_TITLE: 3-Amino-1,2-propanediol; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 3-Amino-1,2-propanediol; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY KQIGMPWTAHJUMN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30862294 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002137.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002137.txt index 0a013f91a4e..dc70556df91 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002137.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002137.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002137 -RECORD_TITLE: 3-Amino-1,2-propanediol; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 3-Amino-1,2-propanediol; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY KQIGMPWTAHJUMN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30862294 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002138.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002138.txt index 5852a8101b0..ab6fd8089af 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002138.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002138.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002138 -RECORD_TITLE: 2-Aminoisobutyric acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 2-Aminoisobutyric acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FUOOLUPWFVMBKG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058772 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002139.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002139.txt index e14db96d49d..6f25bc2a79a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002139.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002139.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002139 -RECORD_TITLE: 2-Aminoisobutyric acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 2-Aminoisobutyric acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FUOOLUPWFVMBKG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058772 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002140.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002140.txt index b65b0644595..ad9da186428 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002140.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002140.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002140 -RECORD_TITLE: 2-Aminoisobutyric acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 2-Aminoisobutyric acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FUOOLUPWFVMBKG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058772 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002141.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002141.txt index 40079e38041..9daf63452cd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002141.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002141.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002141 -RECORD_TITLE: 2-Aminoisobutyric acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 2-Aminoisobutyric acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FUOOLUPWFVMBKG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058772 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002142.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002142.txt index b5b9ffe7933..cbcdc1781c2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002142.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002142.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002142 -RECORD_TITLE: 2-Aminoisobutyric acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 2-Aminoisobutyric acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FUOOLUPWFVMBKG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058772 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002143.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002143.txt index bf0974d0856..2b8a2faa542 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002143.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002143.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002143 -RECORD_TITLE: 1-Amino-1-cyclopentanecarboxylic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 1-Amino-1-cyclopentanecarboxylic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NILQLFBWTXNUOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024475 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002144.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002144.txt index 72f14b036f2..c19cc883850 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002144.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002144.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002144 -RECORD_TITLE: 1-Amino-1-cyclopentanecarboxylic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 1-Amino-1-cyclopentanecarboxylic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NILQLFBWTXNUOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024475 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002145.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002145.txt index c28b044ecb6..037f0452414 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002145.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002145.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002145 -RECORD_TITLE: 1-Amino-1-cyclopentanecarboxylic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 1-Amino-1-cyclopentanecarboxylic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NILQLFBWTXNUOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024475 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002146.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002146.txt index 5a8ebe14dce..948f13ab6c2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002146.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002146.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002146 -RECORD_TITLE: 1-Amino-1-cyclopentanecarboxylic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 1-Amino-1-cyclopentanecarboxylic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NILQLFBWTXNUOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024475 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002147.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002147.txt index d03d138f0a6..493a4501265 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002147.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002147.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002147 -RECORD_TITLE: 1-Amino-1-cyclopentanecarboxylic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 1-Amino-1-cyclopentanecarboxylic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NILQLFBWTXNUOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024475 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002148.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002148.txt index d34ef362860..cf5d55d665a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002148.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002148.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002148 -RECORD_TITLE: N-Acetylputrescine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: N-Acetylputrescine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KLZGKIDSEJWEDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80205596 CH$LINK: ChemOnt CHEMONTID:0002484; Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives; Carboximidic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002149.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002149.txt index 87dedb06a3f..b67f3317f98 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002149.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002149.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002149 -RECORD_TITLE: N-Acetylputrescine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: N-Acetylputrescine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KLZGKIDSEJWEDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80205596 CH$LINK: ChemOnt CHEMONTID:0002484; Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives; Carboximidic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002150.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002150.txt index 656da497dc7..aaf85c179ad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002150.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002150.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002150 -RECORD_TITLE: N-Acetylputrescine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: N-Acetylputrescine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KLZGKIDSEJWEDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80205596 CH$LINK: ChemOnt CHEMONTID:0002484; Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives; Carboximidic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002151.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002151.txt index d56cd1dd59f..bc66b0e84f0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002151.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002151.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002151 -RECORD_TITLE: N-Acetylputrescine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: N-Acetylputrescine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KLZGKIDSEJWEDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80205596 CH$LINK: ChemOnt CHEMONTID:0002484; Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives; Carboximidic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002152.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002152.txt index b93190b11d8..033f0b40488 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002152.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002152.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002152 -RECORD_TITLE: N-Acetylputrescine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: N-Acetylputrescine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KLZGKIDSEJWEDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80205596 CH$LINK: ChemOnt CHEMONTID:0002484; Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives; Carboximidic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002153.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002153.txt index dd5c2616ba2..8e84dac8ae1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002153.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002153.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002153 -RECORD_TITLE: 5-Aminolevulinic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 5-Aminolevulinic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZGXJTSGNIOSYLO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8048490 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002154.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002154.txt index 47e35a19cdd..c3445a01441 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002154.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002154.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002154 -RECORD_TITLE: 5-Aminolevulinic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 5-Aminolevulinic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZGXJTSGNIOSYLO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8048490 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002155.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002155.txt index ffe27f6c6d8..fa062066e97 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002155.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002155.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002155 -RECORD_TITLE: 5-Aminolevulinic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 5-Aminolevulinic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZGXJTSGNIOSYLO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8048490 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002156.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002156.txt index abdb7b75a29..bf9b8ef908a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002156.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002156.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002156 -RECORD_TITLE: 5-Aminolevulinic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 5-Aminolevulinic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZGXJTSGNIOSYLO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8048490 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002157.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002157.txt index c0beab65252..278e9c583e7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002157.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002157.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002157 -RECORD_TITLE: 5-Aminolevulinic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 5-Aminolevulinic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZGXJTSGNIOSYLO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8048490 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002158.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002158.txt index 73ff9290992..674ed304501 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002158.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002158.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002158 -RECORD_TITLE: 6-Aminohexanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 6-Aminohexanoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SLXKOJJOQWFEFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020070 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002159.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002159.txt index 99ef0b2be75..9960e71e809 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002159.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002159.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002159 -RECORD_TITLE: 6-Aminohexanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 6-Aminohexanoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SLXKOJJOQWFEFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020070 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002160.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002160.txt index 7f572d700a8..39f74e76489 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002160.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002160.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002160 -RECORD_TITLE: 6-Aminohexanoic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 6-Aminohexanoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SLXKOJJOQWFEFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020070 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002161.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002161.txt index a2add9019a0..6596b1c9004 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002161.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002161.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002161 -RECORD_TITLE: 6-Aminohexanoic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 6-Aminohexanoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SLXKOJJOQWFEFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020070 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002162.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002162.txt index 683b7649017..35b073217c0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002162.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002162.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002162 -RECORD_TITLE: 6-Aminohexanoic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 6-Aminohexanoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SLXKOJJOQWFEFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020070 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002163.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002163.txt index 22d94ea470f..d3d8cb727a3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002163.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002163.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002163 -RECORD_TITLE: Aniline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Aniline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020090 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002164.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002164.txt index 42cfba7fed9..0976cc713fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002164.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002164.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002164 -RECORD_TITLE: Aniline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Aniline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020090 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002165.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002165.txt index d87f48c698e..e13cf907997 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002165.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002165.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002165 -RECORD_TITLE: Aniline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Aniline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020090 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002166.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002166.txt index d3836b9f729..c49c8bdedc3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002166.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002166.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002166 -RECORD_TITLE: Aniline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Aniline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020090 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002167.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002167.txt index 9075e59eb14..204b20304c6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002167.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002167.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002167 -RECORD_TITLE: Aniline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Aniline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020090 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002168.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002168.txt index 9a2f71d668d..c163811247a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002168.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002168.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002168 -RECORD_TITLE: Ciliatine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Ciliatine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY QQVDJLLNRSOCEL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10174362 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002169.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002169.txt index ebedee16a2d..5b76ac41e5c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002169.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002169.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002169 -RECORD_TITLE: Ciliatine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Ciliatine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY QQVDJLLNRSOCEL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10174362 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002170.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002170.txt index 64f46120e21..3d7c49b79a6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002170.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002170.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002170 -RECORD_TITLE: Ciliatine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Ciliatine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY QQVDJLLNRSOCEL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10174362 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002171.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002171.txt index 8d9eb72e315..e0a9d5e753f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002171.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002171.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002171 -RECORD_TITLE: Ciliatine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Ciliatine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY QQVDJLLNRSOCEL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10174362 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002172.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002172.txt index 7c2fe969955..9828d848716 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002172.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002172.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002172 -RECORD_TITLE: Ciliatine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Ciliatine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY QQVDJLLNRSOCEL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10174362 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002173.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002173.txt index cb9102dfe47..afdd049f2cb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002173.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002173.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002173 -RECORD_TITLE: S-Carboxymethyl-L-cysteine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: S-Carboxymethyl-L-cysteine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY GBFLZEXEOZUWRN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30110060 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002174.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002174.txt index 05a655ff504..0426189fe81 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002174.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002174.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002174 -RECORD_TITLE: S-Carboxymethyl-L-cysteine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: S-Carboxymethyl-L-cysteine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY GBFLZEXEOZUWRN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30110060 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002175.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002175.txt index 308470a7e6e..779ea55a956 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002175.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002175.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002175 -RECORD_TITLE: S-Carboxymethyl-L-cysteine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: S-Carboxymethyl-L-cysteine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY GBFLZEXEOZUWRN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30110060 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002176.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002176.txt index 648c3d56969..af5610571ae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002176.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002176.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002176 -RECORD_TITLE: S-Carboxymethyl-L-cysteine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: S-Carboxymethyl-L-cysteine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY GBFLZEXEOZUWRN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30110060 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002177.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002177.txt index 9399630b03d..ea9e1eaf2e6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002177.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002177.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002177 -RECORD_TITLE: S-Carboxymethyl-L-cysteine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: S-Carboxymethyl-L-cysteine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY GBFLZEXEOZUWRN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30110060 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002178.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002178.txt index 17b6c3d43f5..65dac5300db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002178.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002178.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002178 -RECORD_TITLE: Acetylcholine; LC-ESI-QQ; MS2; CE:10 V; M+ +RECORD_TITLE: Acetylcholine; LC-ESI-QQQ; MS2; CE:10 V; M+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY OIPILFWXSMYKGL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075334 CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002179.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002179.txt index ebf53d8223c..d6ee455d268 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002179.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002179.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002179 -RECORD_TITLE: Acetylcholine; LC-ESI-QQ; MS2; CE:20 V; M+ +RECORD_TITLE: Acetylcholine; LC-ESI-QQQ; MS2; CE:20 V; M+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY OIPILFWXSMYKGL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075334 CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002180.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002180.txt index 580f08813d5..88dff86ff3e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002180.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002180.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002180 -RECORD_TITLE: Acetylcholine; LC-ESI-QQ; MS2; CE:30 V; M+ +RECORD_TITLE: Acetylcholine; LC-ESI-QQQ; MS2; CE:30 V; M+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY OIPILFWXSMYKGL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075334 CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002181.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002181.txt index 95f9fbcebd5..17d51ad23db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002181.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002181.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002181 -RECORD_TITLE: Acetylcholine; LC-ESI-QQ; MS2; CE:40 V; M+ +RECORD_TITLE: Acetylcholine; LC-ESI-QQQ; MS2; CE:40 V; M+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY OIPILFWXSMYKGL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075334 CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002182.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002182.txt index 4cbf756115f..387a24ccda7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002182.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002182.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002182 -RECORD_TITLE: Acetylcholine; LC-ESI-QQ; MS2; CE:50 V; M+ +RECORD_TITLE: Acetylcholine; LC-ESI-QQQ; MS2; CE:50 V; M+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY OIPILFWXSMYKGL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075334 CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002183.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002183.txt index e7783aefffb..a73d69e990c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002183.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002183.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002183 -RECORD_TITLE: Amantadine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Amantadine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022117 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002184.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002184.txt index 160223e9754..44c20284224 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002184.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002184.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002184 -RECORD_TITLE: Amantadine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Amantadine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022117 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002185.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002185.txt index 468c516fc2b..c3ff9e91f70 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002185.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002185.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002185 -RECORD_TITLE: Amantadine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Amantadine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022117 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002186.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002186.txt index 1696df84abf..dc58a5ea22e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002186.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002186.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002186 -RECORD_TITLE: Amantadine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Amantadine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022117 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002187.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002187.txt index 7b484a61303..8d5eb168ea4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002187.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002187.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002187 -RECORD_TITLE: Amantadine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Amantadine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022117 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002188.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002188.txt index a264baae2fc..fb1aa8b4e7e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002188.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002188.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002188 -RECORD_TITLE: Alliin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Alliin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:87310 CH$LINK: INCHIKEY XUHLIQGRKRUKPH-ITZCMCNPSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002189.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002189.txt index 3e724ac04d6..e6e1d41e8ee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002189.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002189.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002189 -RECORD_TITLE: Alliin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Alliin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:87310 CH$LINK: INCHIKEY XUHLIQGRKRUKPH-ITZCMCNPSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002190.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002190.txt index f1aca330bbc..ee27ed3e3c9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002190.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002190.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002190 -RECORD_TITLE: Alliin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Alliin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:87310 CH$LINK: INCHIKEY XUHLIQGRKRUKPH-ITZCMCNPSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002191.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002191.txt index cfc7bae0a9e..c08b895450f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002191.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002191.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002191 -RECORD_TITLE: Alliin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Alliin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:87310 CH$LINK: INCHIKEY XUHLIQGRKRUKPH-ITZCMCNPSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002192.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002192.txt index 6bbe8ba1120..33a4860cd03 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002192.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002192.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002192 -RECORD_TITLE: Alliin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Alliin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:87310 CH$LINK: INCHIKEY XUHLIQGRKRUKPH-ITZCMCNPSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002193.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002193.txt index 2849994f7af..28addb52236 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002193.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002193.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002193 -RECORD_TITLE: N-Acetylmethionine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: N-Acetylmethionine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XUYPXLNMDZIRQH-LURJTMIESA-N CH$LINK: COMPTOX DTXSID00883214 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002194.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002194.txt index 640a910c14c..7643d6cac0a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002194.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002194.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002194 -RECORD_TITLE: N-Acetylmethionine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: N-Acetylmethionine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XUYPXLNMDZIRQH-LURJTMIESA-N CH$LINK: COMPTOX DTXSID00883214 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002195.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002195.txt index c0f55e21eeb..68bce8b55d0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002195.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002195.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002195 -RECORD_TITLE: N-Acetylmethionine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: N-Acetylmethionine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XUYPXLNMDZIRQH-LURJTMIESA-N CH$LINK: COMPTOX DTXSID00883214 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002196.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002196.txt index 9ccdbf48517..0f909a6f08d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002196.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002196.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002196 -RECORD_TITLE: N-Acetylmethionine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: N-Acetylmethionine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XUYPXLNMDZIRQH-LURJTMIESA-N CH$LINK: COMPTOX DTXSID00883214 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002197.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002197.txt index f6d696fecfd..4d92fabb82f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002197.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002197.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002197 -RECORD_TITLE: N-Acetylmethionine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: N-Acetylmethionine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XUYPXLNMDZIRQH-LURJTMIESA-N CH$LINK: COMPTOX DTXSID00883214 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002198.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002198.txt index 3dae06a567f..cc67d2f3b46 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002198.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002198.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002198 -RECORD_TITLE: N-Acetylphenylalanine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: N-Acetylphenylalanine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY CBQJSKKFNMDLON-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID20883539 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002199.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002199.txt index 84293d6882c..3e747793129 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002199.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002199.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002199 -RECORD_TITLE: N-Acetylphenylalanine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: N-Acetylphenylalanine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY CBQJSKKFNMDLON-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID20883539 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002200.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002200.txt index a0ef1b5393e..188459fab73 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002200.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002200.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002200 -RECORD_TITLE: N-Acetylphenylalanine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: N-Acetylphenylalanine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY CBQJSKKFNMDLON-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID20883539 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002201.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002201.txt index 8eeff9e7799..8dc2e725be0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002201.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002201 -RECORD_TITLE: N-Acetylphenylalanine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: N-Acetylphenylalanine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY CBQJSKKFNMDLON-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID20883539 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002202.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002202.txt index f8139738c96..d04a56c0ee6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002202.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002202 -RECORD_TITLE: N-Acetylphenylalanine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: N-Acetylphenylalanine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY CBQJSKKFNMDLON-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID20883539 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002203.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002203.txt index 18935a35b10..fa813cd75ed 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002203.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002203 -RECORD_TITLE: Anabasine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Anabasine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MTXSIJUGVMTTMU-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID9041607 CH$LINK: ChemOnt CHEMONTID:0000279; Organic compounds; Alkaloids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002204.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002204.txt index 71bc48d1189..d9a39bd9202 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002204.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002204 -RECORD_TITLE: Anabasine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Anabasine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MTXSIJUGVMTTMU-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID9041607 CH$LINK: ChemOnt CHEMONTID:0000279; Organic compounds; Alkaloids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002205.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002205.txt index dc32c87cac4..2ea143a5609 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002205.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002205 -RECORD_TITLE: Anabasine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Anabasine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MTXSIJUGVMTTMU-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID9041607 CH$LINK: ChemOnt CHEMONTID:0000279; Organic compounds; Alkaloids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002206.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002206.txt index df37a4d0ee5..bef34aa25c0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002206.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002206 -RECORD_TITLE: Anabasine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Anabasine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MTXSIJUGVMTTMU-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID9041607 CH$LINK: ChemOnt CHEMONTID:0000279; Organic compounds; Alkaloids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002207.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002207.txt index 82939003962..b55279ba3f3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002207.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002207 -RECORD_TITLE: Anabasine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Anabasine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MTXSIJUGVMTTMU-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID9041607 CH$LINK: ChemOnt CHEMONTID:0000279; Organic compounds; Alkaloids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002208.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002208.txt index 4c481816002..f25761fe8bc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002208.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002208 -RECORD_TITLE: Amidopyrine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Amidopyrine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RMMXTBMQSGEXHJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7020504 CH$LINK: ChemOnt CHEMONTID:0000087; Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002209.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002209.txt index 2d146457c43..e3bd0071773 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002209.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002209 -RECORD_TITLE: Amidopyrine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Amidopyrine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RMMXTBMQSGEXHJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7020504 CH$LINK: ChemOnt CHEMONTID:0000087; Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002210.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002210.txt index f6440e0d6a7..539d7d2b686 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002210.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002210.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002210 -RECORD_TITLE: Amidopyrine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Amidopyrine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RMMXTBMQSGEXHJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7020504 CH$LINK: ChemOnt CHEMONTID:0000087; Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002211.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002211.txt index 7e60897dddf..5734a252c57 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002211.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002211.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002211 -RECORD_TITLE: Amidopyrine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Amidopyrine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RMMXTBMQSGEXHJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7020504 CH$LINK: ChemOnt CHEMONTID:0000087; Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002212.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002212.txt index f9c10735317..04e885b9288 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002212.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002212.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002212 -RECORD_TITLE: Amidopyrine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Amidopyrine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RMMXTBMQSGEXHJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7020504 CH$LINK: ChemOnt CHEMONTID:0000087; Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002213.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002213.txt index 3e9e743015c..cf39d2cb2a0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002213.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002213.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002213 -RECORD_TITLE: Acyclovir; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Acyclovir; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MKUXAQIIEYXACX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022556 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002214.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002214.txt index 6184f1bcc1e..b38e959af8a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002214.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002214.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002214 -RECORD_TITLE: Acyclovir; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Acyclovir; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MKUXAQIIEYXACX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022556 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002215.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002215.txt index 825e799c9b0..ed345183f91 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002215.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002215.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002215 -RECORD_TITLE: Acyclovir; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Acyclovir; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MKUXAQIIEYXACX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022556 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002216.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002216.txt index 005508b18ca..ecc212b77cd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002216.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002216.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002216 -RECORD_TITLE: Acyclovir; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Acyclovir; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MKUXAQIIEYXACX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022556 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002217.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002217.txt index a29ccb20d37..38cba84d2fe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002217.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002217.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002217 -RECORD_TITLE: Acyclovir; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Acyclovir; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MKUXAQIIEYXACX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022556 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002218.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002218.txt index b3281285a92..204bb06cdc9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002218.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002218.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002218 -RECORD_TITLE: N-Acetylhistidine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: N-Acetylhistidine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:75619 CH$LINK: INCHIKEY KBOJOGQFRVVWBH-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002219.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002219.txt index d931d3f4d01..49081f0922b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002219.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002219.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002219 -RECORD_TITLE: N-Acetylhistidine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: N-Acetylhistidine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:75619 CH$LINK: INCHIKEY KBOJOGQFRVVWBH-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002220.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002220.txt index 0bfec6bf9e1..342eae78a36 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002220.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002220.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002220 -RECORD_TITLE: N-Acetylhistidine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: N-Acetylhistidine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:75619 CH$LINK: INCHIKEY KBOJOGQFRVVWBH-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002221.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002221.txt index d3456e94969..2b935d8008a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002221.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002221.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002221 -RECORD_TITLE: N-Acetylhistidine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: N-Acetylhistidine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:75619 CH$LINK: INCHIKEY KBOJOGQFRVVWBH-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002222.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002222.txt index 1734349d63f..1580ece1613 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002222.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002222.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002222 -RECORD_TITLE: N-Acetylhistidine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: N-Acetylhistidine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:75619 CH$LINK: INCHIKEY KBOJOGQFRVVWBH-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002223.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002223.txt index 8bec1f0e917..04d7f361e43 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002223.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002223.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002223 -RECORD_TITLE: Atropine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Atropine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RKUNBYITZUJHSG-SPUOUPEWSA-N CH$LINK: COMPTOX DTXSID4020113 CH$LINK: ChemOnt CHEMONTID:0000492; Organic compounds; Alkaloids and derivatives; Tropane alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002224.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002224.txt index f6e1987919c..0ce23110892 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002224.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002224.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002224 -RECORD_TITLE: Atropine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Atropine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RKUNBYITZUJHSG-SPUOUPEWSA-N CH$LINK: COMPTOX DTXSID4020113 CH$LINK: ChemOnt CHEMONTID:0000492; Organic compounds; Alkaloids and derivatives; Tropane alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002225.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002225.txt index d96ee97d98a..b737b7c8b04 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002225.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002225.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002225 -RECORD_TITLE: Atropine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Atropine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RKUNBYITZUJHSG-SPUOUPEWSA-N CH$LINK: COMPTOX DTXSID4020113 CH$LINK: ChemOnt CHEMONTID:0000492; Organic compounds; Alkaloids and derivatives; Tropane alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002226.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002226.txt index 13040a5e2af..a30e73c91b8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002226.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002226.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002226 -RECORD_TITLE: Atropine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Atropine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RKUNBYITZUJHSG-SPUOUPEWSA-N CH$LINK: COMPTOX DTXSID4020113 CH$LINK: ChemOnt CHEMONTID:0000492; Organic compounds; Alkaloids and derivatives; Tropane alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002227.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002227.txt index 2a626446b4c..46b4f1227c9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002227.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002227.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002227 -RECORD_TITLE: Atropine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Atropine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RKUNBYITZUJHSG-SPUOUPEWSA-N CH$LINK: COMPTOX DTXSID4020113 CH$LINK: ChemOnt CHEMONTID:0000492; Organic compounds; Alkaloids and derivatives; Tropane alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002228.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002228.txt index dec271d370f..43a2a15b630 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002228.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002228.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002228 -RECORD_TITLE: D-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: D-2-Aminobutyric acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:439691 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-GSVOUGTGSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002229.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002229.txt index 099cc47bbc7..22ca8d461f2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002229.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002229.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002229 -RECORD_TITLE: D-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: D-2-Aminobutyric acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:439691 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-GSVOUGTGSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002230.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002230.txt index 4b0c033a076..7f81efc6008 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002230.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002230.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002230 -RECORD_TITLE: D-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: D-2-Aminobutyric acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:439691 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-GSVOUGTGSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002231.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002231.txt index 3c06594c9c5..6ef8fa12eab 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002231.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002231.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002231 -RECORD_TITLE: D-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: D-2-Aminobutyric acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:439691 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-GSVOUGTGSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002232.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002232.txt index b4720fd8451..ac0b0daa82f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002232.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002232.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002232 -RECORD_TITLE: D-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: D-2-Aminobutyric acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:439691 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-GSVOUGTGSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002233.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002233.txt index 08729bc6e6c..2a1963f831e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002233.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002233.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002233 -RECORD_TITLE: Nw-Acetylhistamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Nw-Acetylhistamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY XJWPISBUKWZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40217670 CH$LINK: ChemOnt CHEMONTID:0001093; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002234.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002234.txt index 5d1fbf3e484..1f077349c54 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002234.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002234.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002234 -RECORD_TITLE: Nw-Acetylhistamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Nw-Acetylhistamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY XJWPISBUKWZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40217670 CH$LINK: ChemOnt CHEMONTID:0001093; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002235.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002235.txt index 012dd5bed5e..74f6529dfc5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002235.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002235.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002235 -RECORD_TITLE: Nw-Acetylhistamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Nw-Acetylhistamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY XJWPISBUKWZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40217670 CH$LINK: ChemOnt CHEMONTID:0001093; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002236.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002236.txt index c0adc65b32f..c51c9b875ee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002236.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002236.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002236 -RECORD_TITLE: Nw-Acetylhistamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Nw-Acetylhistamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY XJWPISBUKWZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40217670 CH$LINK: ChemOnt CHEMONTID:0001093; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002237.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002237.txt index fbdcc32c32c..ab23225b89f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002237.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002237.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002237 -RECORD_TITLE: Nw-Acetylhistamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Nw-Acetylhistamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY XJWPISBUKWZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40217670 CH$LINK: ChemOnt CHEMONTID:0001093; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002238.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002238.txt index 5fa98e6cb3b..5f652146410 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002238.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002238.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002238 -RECORD_TITLE: Apramycin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Apramycin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:3081545 CH$LINK: INCHIKEY XZNUGFQTQHRASN-UXNWEDNLSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002239.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002239.txt index d01a635dc55..3cc6687edfd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002239.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002239.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002239 -RECORD_TITLE: Apramycin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Apramycin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:3081545 CH$LINK: INCHIKEY XZNUGFQTQHRASN-UXNWEDNLSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002240.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002240.txt index 89a1397afe5..ad64b2160ce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002240.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002240.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002240 -RECORD_TITLE: Apramycin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Apramycin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:3081545 CH$LINK: INCHIKEY XZNUGFQTQHRASN-UXNWEDNLSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002241.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002241.txt index 76007aedae1..009a6620b8e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002241.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002241.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002241 -RECORD_TITLE: Apramycin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Apramycin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:3081545 CH$LINK: INCHIKEY XZNUGFQTQHRASN-UXNWEDNLSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002242.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002242.txt index 840bddacb83..198bc3cb649 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002242.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002242.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002242 -RECORD_TITLE: Apramycin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Apramycin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:3081545 CH$LINK: INCHIKEY XZNUGFQTQHRASN-UXNWEDNLSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002243.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002243.txt index 98faf4b39a0..78ee7934c8a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002243.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002243.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002243 -RECORD_TITLE: Apramycin; LC-ESI-QQ; MS2; CE:10 V; [M+2H]++ +RECORD_TITLE: Apramycin; LC-ESI-QQQ; MS2; CE:10 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:3081545 CH$LINK: INCHIKEY XZNUGFQTQHRASN-UXNWEDNLSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002244.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002244.txt index 7038e6b3969..8a4c06cb8ac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002244.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002244.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002244 -RECORD_TITLE: Apramycin; LC-ESI-QQ; MS2; CE:20 V; [M+2H]++ +RECORD_TITLE: Apramycin; LC-ESI-QQQ; MS2; CE:20 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:3081545 CH$LINK: INCHIKEY XZNUGFQTQHRASN-UXNWEDNLSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002245.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002245.txt index 1466d7a6f11..699dafd8ad4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002245.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002245.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002245 -RECORD_TITLE: Apramycin; LC-ESI-QQ; MS2; CE:30 V; [M+2H]++ +RECORD_TITLE: Apramycin; LC-ESI-QQQ; MS2; CE:30 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:3081545 CH$LINK: INCHIKEY XZNUGFQTQHRASN-UXNWEDNLSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002246.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002246.txt index a7b3fda27da..e420fca0add 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002246.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002246.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002246 -RECORD_TITLE: Apramycin; LC-ESI-QQ; MS2; CE:40 V; [M+2H]++ +RECORD_TITLE: Apramycin; LC-ESI-QQQ; MS2; CE:40 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:3081545 CH$LINK: INCHIKEY XZNUGFQTQHRASN-UXNWEDNLSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002247.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002247.txt index eb8da75a525..fd851cd20fd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002247.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002247.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002247 -RECORD_TITLE: Apramycin; LC-ESI-QQ; MS2; CE:50 V; [M+2H]++ +RECORD_TITLE: Apramycin; LC-ESI-QQQ; MS2; CE:50 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:3081545 CH$LINK: INCHIKEY XZNUGFQTQHRASN-UXNWEDNLSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002248.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002248.txt index bd8ce6b62e0..c19db8aba8a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002248.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002248.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002248 -RECORD_TITLE: Arginine ethyl ester; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Arginine ethyl ester; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: NIKKAJI J313.918B CH$LINK: INCHIKEY AKGWUHIOEVNNPC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002249.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002249.txt index f1c966e4823..04c08dd98ad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002249.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002249.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002249 -RECORD_TITLE: Arginine ethyl ester; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Arginine ethyl ester; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: NIKKAJI J313.918B CH$LINK: INCHIKEY AKGWUHIOEVNNPC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002250.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002250.txt index a82e19aaf58..6e83d5d9ac7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002250.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002250.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002250 -RECORD_TITLE: Arginine ethyl ester; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Arginine ethyl ester; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: NIKKAJI J313.918B CH$LINK: INCHIKEY AKGWUHIOEVNNPC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002251.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002251.txt index a5f5767efd8..6b632c043e8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002251.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002251.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002251 -RECORD_TITLE: Arginine ethyl ester; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Arginine ethyl ester; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: NIKKAJI J313.918B CH$LINK: INCHIKEY AKGWUHIOEVNNPC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002252.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002252.txt index 6ab2049a25d..cb019c70cdc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002252.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002252.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002252 -RECORD_TITLE: Arginine ethyl ester; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Arginine ethyl ester; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: NIKKAJI J313.918B CH$LINK: INCHIKEY AKGWUHIOEVNNPC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002253.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002253.txt index 457b910b4a1..76c16dd0340 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002253.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002253.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002253 -RECORD_TITLE: Agmatine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Agmatine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QYPPJABKJHAVHS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0040961 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002254.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002254.txt index c2166925a84..987430b4ecc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002254.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002254.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002254 -RECORD_TITLE: Agmatine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Agmatine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QYPPJABKJHAVHS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0040961 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002255.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002255.txt index 1f2a8a7397d..5556a7ede63 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002255.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002255.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002255 -RECORD_TITLE: Agmatine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Agmatine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QYPPJABKJHAVHS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0040961 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002256.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002256.txt index 9d26783a086..f7e94cb6a31 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002256.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002256.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002256 -RECORD_TITLE: Agmatine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Agmatine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QYPPJABKJHAVHS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0040961 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002257.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002257.txt index bbbdd18cdd9..6416575b411 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002257.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002257.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002257 -RECORD_TITLE: Agmatine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Agmatine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QYPPJABKJHAVHS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0040961 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002258.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002258.txt index 9c4f1f7ebab..97425da1f3e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002258.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002258.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002258 -RECORD_TITLE: 2-Aminoadipic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 2-Aminoadipic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:92136 CH$LINK: INCHIKEY OYIFNHCXNCRBQI-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002259.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002259.txt index 891f8fd6b83..fa0ee277525 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002259.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002259.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002259 -RECORD_TITLE: 2-Aminoadipic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 2-Aminoadipic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:92136 CH$LINK: INCHIKEY OYIFNHCXNCRBQI-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002260.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002260.txt index f81c268736b..925097cf295 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002260.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002260.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002260 -RECORD_TITLE: 2-Aminoadipic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 2-Aminoadipic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:92136 CH$LINK: INCHIKEY OYIFNHCXNCRBQI-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002261.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002261.txt index 9aac43361ae..3c3c1a4cf7c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002261.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002261.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002261 -RECORD_TITLE: 2-Aminoadipic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 2-Aminoadipic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:92136 CH$LINK: INCHIKEY OYIFNHCXNCRBQI-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002262.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002262.txt index 43e229d89d3..d9faf12a9ae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002262.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002262.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002262 -RECORD_TITLE: 2-Aminoadipic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 2-Aminoadipic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:92136 CH$LINK: INCHIKEY OYIFNHCXNCRBQI-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002263.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002263.txt index 0be4bc00948..3d67eb73fc8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002263.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002263.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002263 -RECORD_TITLE: N1-Acetylspermine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: N1-Acetylspermine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GUNURVWAJRRUAV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40180274 CH$LINK: ChemOnt CHEMONTID:0001093; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002264.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002264.txt index 1d28da89922..1375950b81a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002264.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002264.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002264 -RECORD_TITLE: N1-Acetylspermine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: N1-Acetylspermine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GUNURVWAJRRUAV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40180274 CH$LINK: ChemOnt CHEMONTID:0001093; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002265.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002265.txt index 35e7f0b955c..22aea744257 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002265.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002265.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002265 -RECORD_TITLE: N1-Acetylspermine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: N1-Acetylspermine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GUNURVWAJRRUAV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40180274 CH$LINK: ChemOnt CHEMONTID:0001093; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002266.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002266.txt index e7a6687e9ce..494b8fb1039 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002266.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002266.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002266 -RECORD_TITLE: N1-Acetylspermine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: N1-Acetylspermine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GUNURVWAJRRUAV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40180274 CH$LINK: ChemOnt CHEMONTID:0001093; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002267.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002267.txt index d1754f81028..44607543ba6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002267.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002267.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002267 -RECORD_TITLE: N1-Acetylspermine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: N1-Acetylspermine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GUNURVWAJRRUAV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40180274 CH$LINK: ChemOnt CHEMONTID:0001093; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002268.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002268.txt index 80034f64fe0..84d53ef09f7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002268.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002268.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002268 -RECORD_TITLE: N8-Acetylspermidine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: N8-Acetylspermidine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY FONIWJIDLJEJTL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60158637 CH$LINK: ChemOnt CHEMONTID:0002484; Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives; Carboximidic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002269.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002269.txt index 3aa0dc3e1f6..579be115bb2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002269.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002269.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002269 -RECORD_TITLE: N8-Acetylspermidine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: N8-Acetylspermidine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY FONIWJIDLJEJTL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60158637 CH$LINK: ChemOnt CHEMONTID:0002484; Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives; Carboximidic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002270.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002270.txt index 83df76c486a..38c5d5393b5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002270.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002270.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002270 -RECORD_TITLE: N8-Acetylspermidine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: N8-Acetylspermidine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY FONIWJIDLJEJTL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60158637 CH$LINK: ChemOnt CHEMONTID:0002484; Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives; Carboximidic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002271.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002271.txt index d800b2285dc..91b0b19771c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002271.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002271.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002271 -RECORD_TITLE: N8-Acetylspermidine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: N8-Acetylspermidine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY FONIWJIDLJEJTL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60158637 CH$LINK: ChemOnt CHEMONTID:0002484; Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives; Carboximidic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002272.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002272.txt index 501860578ea..ff16a83a995 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002272.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002272.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002272 -RECORD_TITLE: N8-Acetylspermidine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: N8-Acetylspermidine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY FONIWJIDLJEJTL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60158637 CH$LINK: ChemOnt CHEMONTID:0002484; Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives; Carboximidic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002273.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002273.txt index 348149e9ede..1326efa6202 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002273.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002273.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002273 -RECORD_TITLE: 2-Aminophenol; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 2-Aminophenol; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY CDAWCLOXVUBKRW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024498 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002274.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002274.txt index b16e165cb38..6df74c37233 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002274.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002274.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002274 -RECORD_TITLE: 2-Aminophenol; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 2-Aminophenol; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY CDAWCLOXVUBKRW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024498 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002275.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002275.txt index 56da3b20454..a25ae988d66 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002275.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002275.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002275 -RECORD_TITLE: 2-Aminophenol; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 2-Aminophenol; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY CDAWCLOXVUBKRW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024498 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002276.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002276.txt index b24903b4dc2..596a0b00052 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002276.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002276.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002276 -RECORD_TITLE: 2-Aminophenol; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 2-Aminophenol; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY CDAWCLOXVUBKRW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024498 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002277.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002277.txt index 7aae69c6657..4e688c4521d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002277.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002277.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002277 -RECORD_TITLE: 2-Aminophenol; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 2-Aminophenol; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY CDAWCLOXVUBKRW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024498 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002278.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002278.txt index 99d1c687ffa..8e298a15feb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002278.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002278.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002278 -RECORD_TITLE: N-Acetyl-alpha-D-glucosamine 1-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: N-Acetyl-alpha-D-glucosamine 1-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FZLJPEPAYPUMMR-FMDGEEDCSA-N CH$LINK: COMPTOX DTXSID00179902 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002279.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002279.txt index 230391f81a5..97ebc592a98 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002279.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002279.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002279 -RECORD_TITLE: N-Acetyl-alpha-D-glucosamine 1-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: N-Acetyl-alpha-D-glucosamine 1-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FZLJPEPAYPUMMR-FMDGEEDCSA-N CH$LINK: COMPTOX DTXSID00179902 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002280.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002280.txt index e450c6ea9b5..692ab3b23f9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002280.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002280.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002280 -RECORD_TITLE: N-Acetyl-alpha-D-glucosamine 1-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: N-Acetyl-alpha-D-glucosamine 1-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FZLJPEPAYPUMMR-FMDGEEDCSA-N CH$LINK: COMPTOX DTXSID00179902 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002281.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002281.txt index df67e169430..2fd5097c8f0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002281.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002281.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002281 -RECORD_TITLE: N-Acetyl-alpha-D-glucosamine 1-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: N-Acetyl-alpha-D-glucosamine 1-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FZLJPEPAYPUMMR-FMDGEEDCSA-N CH$LINK: COMPTOX DTXSID00179902 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002282.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002282.txt index 683c90fc310..58dfd899803 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002282.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002282.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002282 -RECORD_TITLE: N-Acetyl-alpha-D-glucosamine 1-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: N-Acetyl-alpha-D-glucosamine 1-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FZLJPEPAYPUMMR-FMDGEEDCSA-N CH$LINK: COMPTOX DTXSID00179902 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002283.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002283.txt index 19c422bc02c..924140af831 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002283.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002283.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002283 -RECORD_TITLE: 9-Amino-1,2,3,4-tetrahydroacridine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 9-Amino-1,2,3,4-tetrahydroacridine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YLJREFDVOIBQDA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1037272 CH$LINK: ChemOnt CHEMONTID:0001908; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002284.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002284.txt index a9043949390..73707b8c98f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002284.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002284.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002284 -RECORD_TITLE: 9-Amino-1,2,3,4-tetrahydroacridine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 9-Amino-1,2,3,4-tetrahydroacridine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YLJREFDVOIBQDA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1037272 CH$LINK: ChemOnt CHEMONTID:0001908; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002285.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002285.txt index 8c4b8d56db4..61d15e50557 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002285.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002285.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002285 -RECORD_TITLE: 9-Amino-1,2,3,4-tetrahydroacridine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 9-Amino-1,2,3,4-tetrahydroacridine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YLJREFDVOIBQDA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1037272 CH$LINK: ChemOnt CHEMONTID:0001908; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002286.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002286.txt index 7ba816ee404..fbb52be003a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002286.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002286.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002286 -RECORD_TITLE: 9-Amino-1,2,3,4-tetrahydroacridine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 9-Amino-1,2,3,4-tetrahydroacridine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YLJREFDVOIBQDA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1037272 CH$LINK: ChemOnt CHEMONTID:0001908; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002287.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002287.txt index cddfa884167..56bb04ae6c6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002287.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002287.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002287 -RECORD_TITLE: 9-Amino-1,2,3,4-tetrahydroacridine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 9-Amino-1,2,3,4-tetrahydroacridine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YLJREFDVOIBQDA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1037272 CH$LINK: ChemOnt CHEMONTID:0001908; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002288.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002288.txt index a2ab7993dab..dc809aab310 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002288.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002288.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002288 -RECORD_TITLE: beta-Ala-Lys; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: beta-Ala-Lys; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440638 CH$LINK: INCHIKEY PLDCWKCPEXNWJH-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002289.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002289.txt index c6eee3fd2cc..4935db74869 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002289.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002289.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002289 -RECORD_TITLE: beta-Ala-Lys; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: beta-Ala-Lys; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440638 CH$LINK: INCHIKEY PLDCWKCPEXNWJH-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002290.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002290.txt index 73c98b68e85..4e831c57dde 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002290.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002290.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002290 -RECORD_TITLE: beta-Ala-Lys; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: beta-Ala-Lys; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440638 CH$LINK: INCHIKEY PLDCWKCPEXNWJH-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002291.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002291.txt index 49ba7bb8e1e..1c794cb9630 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002291.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002291.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002291 -RECORD_TITLE: beta-Ala-Lys; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: beta-Ala-Lys; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440638 CH$LINK: INCHIKEY PLDCWKCPEXNWJH-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002292.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002292.txt index 41586a3b75c..cbbfdab20ac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002292.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002292.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002292 -RECORD_TITLE: beta-Ala-Lys; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: beta-Ala-Lys; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440638 CH$LINK: INCHIKEY PLDCWKCPEXNWJH-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002293.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002293.txt index 35a9a56a80e..a38dedb31cf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002293.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002293.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002293 -RECORD_TITLE: Acetanilide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Acetanilide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FZERHIULMFGESH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022543 CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002294.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002294.txt index 3f30020f8ca..4a6f507e016 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002294.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002294.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002294 -RECORD_TITLE: Acetanilide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Acetanilide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FZERHIULMFGESH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022543 CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002295.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002295.txt index 2ff5d533917..dab84314ac5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002295.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002295.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002295 -RECORD_TITLE: Acetanilide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Acetanilide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FZERHIULMFGESH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022543 CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002296.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002296.txt index 9e3ec563cdf..8b3b73b6ebf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002296.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002296.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002296 -RECORD_TITLE: Acetanilide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Acetanilide; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FZERHIULMFGESH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022543 CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002297.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002297.txt index 17c89bc8e8e..6431c3b843b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002297.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002297.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002297 -RECORD_TITLE: Acetanilide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Acetanilide; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FZERHIULMFGESH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2022543 CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002298.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002298.txt index a190cbe1add..02c954f11c7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002298.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002298.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002298 -RECORD_TITLE: 2-Amino-3-phosphonopropionate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 2-Amino-3-phosphonopropionate; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LBTABPSJONFLPO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40863590 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002299.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002299.txt index 433f6d2d27e..6c6e481a2e8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002299.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002299.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002299 -RECORD_TITLE: 2-Amino-3-phosphonopropionate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 2-Amino-3-phosphonopropionate; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LBTABPSJONFLPO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40863590 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002300.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002300.txt index 594dbc7395d..229437c397c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002300.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002300.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002300 -RECORD_TITLE: 2-Amino-3-phosphonopropionate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 2-Amino-3-phosphonopropionate; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LBTABPSJONFLPO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40863590 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002301.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002301.txt index 36b3b73652f..c9e207c3633 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002301.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002301 -RECORD_TITLE: 2-Amino-3-phosphonopropionate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 2-Amino-3-phosphonopropionate; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LBTABPSJONFLPO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40863590 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002302.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002302.txt index 068da90ce0d..94a45c1acb7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002302.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002302 -RECORD_TITLE: 2-Amino-3-phosphonopropionate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 2-Amino-3-phosphonopropionate; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LBTABPSJONFLPO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40863590 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002303.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002303.txt index bf04605da69..a060c923236 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002303.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002303 -RECORD_TITLE: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UUOKFMHZSA-N CH$LINK: COMPTOX DTXSID10904363 CH$LINK: ChemOnt CHEMONTID:0001420; Organic compounds; Nucleosides, nucleotides, and analogues; Imidazole ribonucleosides and ribonucleotides; 1-ribosyl-imidazolecarboxamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002304.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002304.txt index 55056e22332..2b607cac5bb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002304.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002304 -RECORD_TITLE: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UUOKFMHZSA-N CH$LINK: COMPTOX DTXSID10904363 CH$LINK: ChemOnt CHEMONTID:0001420; Organic compounds; Nucleosides, nucleotides, and analogues; Imidazole ribonucleosides and ribonucleotides; 1-ribosyl-imidazolecarboxamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002305.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002305.txt index 5547aac9654..33ab0699248 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002305.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002305 -RECORD_TITLE: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UUOKFMHZSA-N CH$LINK: COMPTOX DTXSID10904363 CH$LINK: ChemOnt CHEMONTID:0001420; Organic compounds; Nucleosides, nucleotides, and analogues; Imidazole ribonucleosides and ribonucleotides; 1-ribosyl-imidazolecarboxamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002306.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002306.txt index c58251ef07c..a2fe2d58bee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002306.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002306.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002306 -RECORD_TITLE: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UUOKFMHZSA-N CH$LINK: COMPTOX DTXSID10904363 CH$LINK: ChemOnt CHEMONTID:0001420; Organic compounds; Nucleosides, nucleotides, and analogues; Imidazole ribonucleosides and ribonucleotides; 1-ribosyl-imidazolecarboxamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002307.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002307.txt index 78f815b1969..c006d72d22f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002307.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002307 -RECORD_TITLE: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UUOKFMHZSA-N CH$LINK: COMPTOX DTXSID10904363 CH$LINK: ChemOnt CHEMONTID:0001420; Organic compounds; Nucleosides, nucleotides, and analogues; Imidazole ribonucleosides and ribonucleotides; 1-ribosyl-imidazolecarboxamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002308.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002308.txt index 2bc0f1a6a8f..b3577c78a73 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002308.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002308.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002308 -RECORD_TITLE: 5-Aminopentanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 5-Aminopentanoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JJMDCOVWQOJGCB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70216212 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002309.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002309.txt index e146575ca17..cded4dbf312 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002309.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002309.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002309 -RECORD_TITLE: 5-Aminopentanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 5-Aminopentanoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JJMDCOVWQOJGCB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70216212 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002310.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002310.txt index 28704f8348e..688fb990b34 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002310.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002310.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002310 -RECORD_TITLE: 5-Aminopentanoic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 5-Aminopentanoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JJMDCOVWQOJGCB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70216212 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002311.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002311.txt index f9b7069e50e..56b00230473 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002311.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002311.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002311 -RECORD_TITLE: 5-Aminopentanoic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 5-Aminopentanoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JJMDCOVWQOJGCB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70216212 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002312.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002312.txt index 710bf6c1ce0..24c79e881f6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002312.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002312.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002312 -RECORD_TITLE: 5-Aminopentanoic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 5-Aminopentanoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JJMDCOVWQOJGCB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70216212 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002313.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002313.txt index 1f05cdbd98d..56da577d104 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002313.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002313.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002313 -RECORD_TITLE: 5-Amino-4-imidazolecarboxamide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 5-Amino-4-imidazolecarboxamide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY DVNYTAVYBRSTGK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059891 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002314.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002314.txt index 8fe358402d0..da80076d1b1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002314.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002314.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002314 -RECORD_TITLE: 5-Amino-4-imidazolecarboxamide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 5-Amino-4-imidazolecarboxamide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2010.01.13, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY DVNYTAVYBRSTGK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059891 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002315.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002315.txt index 24fc43cb931..f493fb6698e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002315.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002315.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002315 -RECORD_TITLE: 5-Amino-4-imidazolecarboxamide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 5-Amino-4-imidazolecarboxamide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY DVNYTAVYBRSTGK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059891 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002316.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002316.txt index 919b8928c88..c53f64ec2ff 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002316.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002316.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002316 -RECORD_TITLE: 5-Amino-4-imidazolecarboxamide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 5-Amino-4-imidazolecarboxamide; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY DVNYTAVYBRSTGK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059891 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002317.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002317.txt index c7ce1424158..78d301838a4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002317.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002317.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002317 -RECORD_TITLE: 5-Amino-4-imidazolecarboxamide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 5-Amino-4-imidazolecarboxamide; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2010.01.13, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY DVNYTAVYBRSTGK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8059891 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002318.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002318.txt index 5e136a3a04c..f2d0a550449 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002318.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002318.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002318 -RECORD_TITLE: Allocryptopine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Allocryptopine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:98570 CH$LINK: INCHIKEY HYBRYAPKQCZIAE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002743; Organic compounds; Alkaloids and derivatives; Protopine alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002319.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002319.txt index bf2a1a7d73f..8e8166f10da 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002319.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002319.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002319 -RECORD_TITLE: Allocryptopine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Allocryptopine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:98570 CH$LINK: INCHIKEY HYBRYAPKQCZIAE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002743; Organic compounds; Alkaloids and derivatives; Protopine alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002320.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002320.txt index 254711c98b2..407b86f34d1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002320.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002320.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002320 -RECORD_TITLE: Allocryptopine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Allocryptopine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:98570 CH$LINK: INCHIKEY HYBRYAPKQCZIAE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002743; Organic compounds; Alkaloids and derivatives; Protopine alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002321.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002321.txt index 74cd5935366..b93c7f0ce02 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002321.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002321.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002321 -RECORD_TITLE: Allocryptopine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Allocryptopine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:98570 CH$LINK: INCHIKEY HYBRYAPKQCZIAE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002743; Organic compounds; Alkaloids and derivatives; Protopine alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002322.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002322.txt index 651f241e317..fd1f47d2626 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002322.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002322.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002322 -RECORD_TITLE: Allocryptopine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Allocryptopine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:98570 CH$LINK: INCHIKEY HYBRYAPKQCZIAE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002743; Organic compounds; Alkaloids and derivatives; Protopine alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002323.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002323.txt index 662f9ad47cb..d783b17a0af 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002323.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002323.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002323 -RECORD_TITLE: N-Acetyl-beta-alanine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: N-Acetyl-beta-alanine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LJLLAWRMBZNPMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90184343 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002324.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002324.txt index 9cc78da2065..accd99d2433 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002324.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002324.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002324 -RECORD_TITLE: N-Acetyl-beta-alanine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: N-Acetyl-beta-alanine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LJLLAWRMBZNPMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90184343 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002325.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002325.txt index 871604e495d..a5ed2afad8f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002325.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002325.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002325 -RECORD_TITLE: N-Acetyl-beta-alanine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: N-Acetyl-beta-alanine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LJLLAWRMBZNPMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90184343 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002326.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002326.txt index a6a2ffed657..fef16335b37 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002326.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002326.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002326 -RECORD_TITLE: N-Acetyl-beta-alanine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: N-Acetyl-beta-alanine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LJLLAWRMBZNPMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90184343 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002327.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002327.txt index 81ff0b736ba..b90efcc9ac7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002327.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002327.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002327 -RECORD_TITLE: N-Acetyl-beta-alanine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: N-Acetyl-beta-alanine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LJLLAWRMBZNPMO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90184343 CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002328.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002328.txt index 12ee24f5575..b180062a159 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002328.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002328.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002328 -RECORD_TITLE: L-Anserine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-Anserine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MYYIAHXIVFADCU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID30973950 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002329.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002329.txt index d7b4e2ac4d6..37d5e362f9f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002329.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002329.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002329 -RECORD_TITLE: L-Anserine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-Anserine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MYYIAHXIVFADCU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID30973950 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002330.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002330.txt index 8aa67dc593c..9d043079a3d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002330.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002330.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002330 -RECORD_TITLE: L-Anserine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-Anserine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MYYIAHXIVFADCU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID30973950 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002331.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002331.txt index 18a518550be..ed644ae467e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002331.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002331.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002331 -RECORD_TITLE: L-Anserine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-Anserine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MYYIAHXIVFADCU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID30973950 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002332.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002332.txt index c2040151838..8dcb7256ec7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002332.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002332.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002332 -RECORD_TITLE: L-Anserine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-Anserine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MYYIAHXIVFADCU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID30973950 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002333.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002333.txt index 57307b1b447..582b1c36939 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002333.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002333.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002333 -RECORD_TITLE: O-Acetylcarnitine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: O-Acetylcarnitine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:439756 CH$LINK: INCHIKEY RDHQFKQIGNGIED-QMMMGPOBSA-O CH$LINK: ChemOnt CHEMONTID:0000324; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acid esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002334.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002334.txt index 1134dd43c8b..bf45b30a2af 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002334.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002334.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002334 -RECORD_TITLE: O-Acetylcarnitine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: O-Acetylcarnitine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:439756 CH$LINK: INCHIKEY RDHQFKQIGNGIED-QMMMGPOBSA-O CH$LINK: ChemOnt CHEMONTID:0000324; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acid esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002335.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002335.txt index 573d5423754..845dd6739ee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002335.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002335.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002335 -RECORD_TITLE: O-Acetylcarnitine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: O-Acetylcarnitine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:439756 CH$LINK: INCHIKEY RDHQFKQIGNGIED-QMMMGPOBSA-O CH$LINK: ChemOnt CHEMONTID:0000324; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acid esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002336.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002336.txt index 86c95282256..31e5d2c8835 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002336.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002336.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002336 -RECORD_TITLE: O-Acetylcarnitine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: O-Acetylcarnitine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:439756 CH$LINK: INCHIKEY RDHQFKQIGNGIED-QMMMGPOBSA-O CH$LINK: ChemOnt CHEMONTID:0000324; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acid esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002337.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002337.txt index 69493334eaf..be46a37fbcf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002337.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002337.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002337 -RECORD_TITLE: O-Acetylcarnitine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: O-Acetylcarnitine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:439756 CH$LINK: INCHIKEY RDHQFKQIGNGIED-QMMMGPOBSA-O CH$LINK: ChemOnt CHEMONTID:0000324; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acid esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002338.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002338.txt index 630c5d6a5a2..9e744bbaecf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002338.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002338.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002338 -RECORD_TITLE: N-Acetyl-L-Leucine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: N-Acetyl-L-Leucine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY WXNXCEHXYPACJF-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID6045870 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002339.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002339.txt index 21274bb0a47..1e656c5359e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002339.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002339.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002339 -RECORD_TITLE: N-Acetyl-L-Leucine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: N-Acetyl-L-Leucine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY WXNXCEHXYPACJF-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID6045870 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002340.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002340.txt index 9e3931da408..216a927ba2d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002340.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002340.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002340 -RECORD_TITLE: N-Acetyl-L-Leucine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: N-Acetyl-L-Leucine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY WXNXCEHXYPACJF-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID6045870 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002341.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002341.txt index 604a8e1da5c..05c36d01833 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002341.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002341.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002341 -RECORD_TITLE: N-Acetyl-L-Leucine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: N-Acetyl-L-Leucine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY WXNXCEHXYPACJF-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID6045870 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002342.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002342.txt index 6303fba8275..96fc15dd46a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002342.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002342.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002342 -RECORD_TITLE: N-Acetyl-L-Leucine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: N-Acetyl-L-Leucine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY WXNXCEHXYPACJF-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID6045870 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002343.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002343.txt index f4933c062ae..b636b22a9d6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002343.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002343.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002343 -RECORD_TITLE: Aniline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Aniline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020090 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002344.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002344.txt index ae08178f369..3cd065e4965 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002344.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002344.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002344 -RECORD_TITLE: Aniline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Aniline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020090 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002345.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002345.txt index 7e4468017f8..10336c035d2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002345.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002345.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002345 -RECORD_TITLE: Aniline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Aniline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020090 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002346.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002346.txt index e2140025e65..be4a5b2e2b4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002346.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002346.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002346 -RECORD_TITLE: Aniline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Aniline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020090 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002347.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002347.txt index 3688915ed57..4f2a531e1f8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002347.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002347.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002347 -RECORD_TITLE: Aniline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Aniline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020090 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002348.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002348.txt index 43a8b347df9..8fff4564a05 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002348.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002348.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002348 -RECORD_TITLE: Amifostine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Amifostine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY JKOQGQFVAUAYPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022585 CH$LINK: ChemOnt CHEMONTID:0001438; Organic compounds; Organophosphorus compounds; Organothiophosphorus compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002349.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002349.txt index 132b5467898..e52dadaf059 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002349.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002349.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002349 -RECORD_TITLE: Amifostine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Amifostine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY JKOQGQFVAUAYPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022585 CH$LINK: ChemOnt CHEMONTID:0001438; Organic compounds; Organophosphorus compounds; Organothiophosphorus compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002350.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002350.txt index 0f83bed467f..853df57c344 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002350.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002350.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002350 -RECORD_TITLE: Amifostine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Amifostine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY JKOQGQFVAUAYPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022585 CH$LINK: ChemOnt CHEMONTID:0001438; Organic compounds; Organophosphorus compounds; Organothiophosphorus compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002351.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002351.txt index 88a57c276d4..b2dd0505a00 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002351.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002351.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002351 -RECORD_TITLE: Amifostine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Amifostine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY JKOQGQFVAUAYPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022585 CH$LINK: ChemOnt CHEMONTID:0001438; Organic compounds; Organophosphorus compounds; Organothiophosphorus compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002352.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002352.txt index 81c111007e5..d030af6001f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002352.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002352.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002352 -RECORD_TITLE: Amifostine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Amifostine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY JKOQGQFVAUAYPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022585 CH$LINK: ChemOnt CHEMONTID:0001438; Organic compounds; Organophosphorus compounds; Organothiophosphorus compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002353.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002353.txt index 7a8a8f648ce..9982335547c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002353.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002353.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002353 -RECORD_TITLE: Ne-Acetyllysine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Ne-Acetyllysine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:92832 CH$LINK: INCHIKEY DTERQYGMUDWYAZ-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002354.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002354.txt index b6474f7c25e..7a2de1edad2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002354.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002354.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002354 -RECORD_TITLE: Ne-Acetyllysine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Ne-Acetyllysine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:92832 CH$LINK: INCHIKEY DTERQYGMUDWYAZ-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002355.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002355.txt index 64573d73f5b..13ae27f24a5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002355.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002355.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002355 -RECORD_TITLE: Ne-Acetyllysine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Ne-Acetyllysine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:92832 CH$LINK: INCHIKEY DTERQYGMUDWYAZ-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002356.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002356.txt index 0174e1a16fb..c9b5298966b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002356.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002356.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002356 -RECORD_TITLE: Ne-Acetyllysine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Ne-Acetyllysine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:92832 CH$LINK: INCHIKEY DTERQYGMUDWYAZ-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002357.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002357.txt index a206d6b1788..d5112827565 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002357.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002357.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002357 -RECORD_TITLE: Ne-Acetyllysine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Ne-Acetyllysine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:92832 CH$LINK: INCHIKEY DTERQYGMUDWYAZ-ZETCQYMHSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002358.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002358.txt index 1712c1430e1..3bb23adfebc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002358.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002358.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002358 -RECORD_TITLE: 2-Amino-2-methylbutanoic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 2-Amino-2-methylbutanoic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:94744 CH$LINK: INCHIKEY GCHPUFAZSONQIV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002359.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002359.txt index 1ea906c01c1..9041300bb72 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002359.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002359.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002359 -RECORD_TITLE: 2-Amino-2-methylbutanoic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 2-Amino-2-methylbutanoic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:94744 CH$LINK: INCHIKEY GCHPUFAZSONQIV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002360.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002360.txt index 7ff759ccf02..9ffbb1a392e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002360.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002360.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002360 -RECORD_TITLE: 2-Amino-2-methylbutanoic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 2-Amino-2-methylbutanoic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:94744 CH$LINK: INCHIKEY GCHPUFAZSONQIV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002361.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002361.txt index 63450501dfb..9dd406685e1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002361.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002361.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002361 -RECORD_TITLE: 2-Amino-2-methylbutanoic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 2-Amino-2-methylbutanoic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:94744 CH$LINK: INCHIKEY GCHPUFAZSONQIV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002362.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002362.txt index 7c2297ba774..2c70203e129 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002362.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002362.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002362 -RECORD_TITLE: 2-Amino-2-methylbutanoic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 2-Amino-2-methylbutanoic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:94744 CH$LINK: INCHIKEY GCHPUFAZSONQIV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002363.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002363.txt index 7a1539551af..162de1aa86a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002363.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002363.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002363 -RECORD_TITLE: N-Acetylmuramic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: N-Acetylmuramic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5462244 CH$LINK: INCHIKEY MNLRQHMNZILYPY-MKFCKLDKSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002364.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002364.txt index 77ded014aeb..42bfada009e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002364.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002364.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002364 -RECORD_TITLE: N-Acetylmuramic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: N-Acetylmuramic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5462244 CH$LINK: INCHIKEY MNLRQHMNZILYPY-MKFCKLDKSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002365.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002365.txt index 0a100ba16b4..e88bcfe96ff 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002365.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002365.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002365 -RECORD_TITLE: N-Acetylmuramic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: N-Acetylmuramic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5462244 CH$LINK: INCHIKEY MNLRQHMNZILYPY-MKFCKLDKSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002366.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002366.txt index c954c6dc8c2..ef6169dd9aa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002366.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002366.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002366 -RECORD_TITLE: N-Acetylmuramic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: N-Acetylmuramic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5462244 CH$LINK: INCHIKEY MNLRQHMNZILYPY-MKFCKLDKSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002367.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002367.txt index 7927edde591..946ee2b10de 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002367.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002367.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002367 -RECORD_TITLE: N-Acetylmuramic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: N-Acetylmuramic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5462244 CH$LINK: INCHIKEY MNLRQHMNZILYPY-MKFCKLDKSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002368.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002368.txt index de9976a2136..4d785b0c8c3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002368.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002368.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002368 -RECORD_TITLE: 2-Amino-2-(hydroxymethyl)-1,3-propanediol; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 2-Amino-2-(hydroxymethyl)-1,3-propanediol; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LENZDBCJOHFCAS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2023723 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002369.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002369.txt index 8d9cc0ad89c..980c8f1ec4a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002369.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002369.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002369 -RECORD_TITLE: 2-Amino-2-(hydroxymethyl)-1,3-propanediol; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 2-Amino-2-(hydroxymethyl)-1,3-propanediol; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LENZDBCJOHFCAS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2023723 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002370.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002370.txt index e71e9d5acad..74ef403adfb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002370.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002370.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002370 -RECORD_TITLE: 2-Amino-2-(hydroxymethyl)-1,3-propanediol; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 2-Amino-2-(hydroxymethyl)-1,3-propanediol; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LENZDBCJOHFCAS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2023723 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002371.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002371.txt index f1899e1bb92..eab860a2cab 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002371.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002371.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002371 -RECORD_TITLE: 2-Amino-2-(hydroxymethyl)-1,3-propanediol; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 2-Amino-2-(hydroxymethyl)-1,3-propanediol; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LENZDBCJOHFCAS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2023723 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002372.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002372.txt index 9c13db939c0..2cba324f32b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002372.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002372.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002372 -RECORD_TITLE: 2-Amino-2-(hydroxymethyl)-1,3-propanediol; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 2-Amino-2-(hydroxymethyl)-1,3-propanediol; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LENZDBCJOHFCAS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2023723 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002373.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002373.txt index 5798c46ef3e..71ea64337d9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002373.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002373.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002373 -RECORD_TITLE: Ampicillin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Ampicillin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY AVKUERGKIZMTKX-NJBDSQKTSA-N CH$LINK: COMPTOX DTXSID4022602 CH$LINK: ChemOnt CHEMONTID:0000162; Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002374.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002374.txt index fd51b52263b..7c8b05fc16b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002374.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002374.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002374 -RECORD_TITLE: Ampicillin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Ampicillin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY AVKUERGKIZMTKX-NJBDSQKTSA-N CH$LINK: COMPTOX DTXSID4022602 CH$LINK: ChemOnt CHEMONTID:0000162; Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002375.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002375.txt index 649a0c8436d..d8c88d80da6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002375.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002375.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002375 -RECORD_TITLE: Ampicillin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Ampicillin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY AVKUERGKIZMTKX-NJBDSQKTSA-N CH$LINK: COMPTOX DTXSID4022602 CH$LINK: ChemOnt CHEMONTID:0000162; Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002376.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002376.txt index 2d8d9aeb800..ab4876e709d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002376.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002376.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002376 -RECORD_TITLE: Ampicillin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Ampicillin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY AVKUERGKIZMTKX-NJBDSQKTSA-N CH$LINK: COMPTOX DTXSID4022602 CH$LINK: ChemOnt CHEMONTID:0000162; Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002377.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002377.txt index ab055cec877..fc4d9f324c0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002377.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002377.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002377 -RECORD_TITLE: Ampicillin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Ampicillin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY AVKUERGKIZMTKX-NJBDSQKTSA-N CH$LINK: COMPTOX DTXSID4022602 CH$LINK: ChemOnt CHEMONTID:0000162; Organic compounds; Organoheterocyclic compounds; Lactams; Beta lactams AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002378.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002378.txt index 90e828865c2..a55e5a5ed7c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002378.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002378.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002378 -RECORD_TITLE: Deisopropylatrazine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Deisopropylatrazine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IVENSCMCQBJAKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0037495 CH$LINK: ChemOnt CHEMONTID:0001693; Organic compounds; Organoheterocyclic compounds; Triazines; Aminotriazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002379.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002379.txt index f484c9df0c8..cca190fa99c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002379.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002379.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002379 -RECORD_TITLE: Deisopropylatrazine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Deisopropylatrazine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IVENSCMCQBJAKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0037495 CH$LINK: ChemOnt CHEMONTID:0001693; Organic compounds; Organoheterocyclic compounds; Triazines; Aminotriazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002380.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002380.txt index bcf443bc0c5..fb06314131d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002380.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002380.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002380 -RECORD_TITLE: Deisopropylatrazine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Deisopropylatrazine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IVENSCMCQBJAKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0037495 CH$LINK: ChemOnt CHEMONTID:0001693; Organic compounds; Organoheterocyclic compounds; Triazines; Aminotriazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002381.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002381.txt index 867b5ccb7c9..edbd1a9676e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002381.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002381.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002381 -RECORD_TITLE: Deisopropylatrazine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Deisopropylatrazine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IVENSCMCQBJAKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0037495 CH$LINK: ChemOnt CHEMONTID:0001693; Organic compounds; Organoheterocyclic compounds; Triazines; Aminotriazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002382.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002382.txt index 45c8ddc47ed..34949ee13ff 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002382.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002382.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002382 -RECORD_TITLE: Deisopropylatrazine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Deisopropylatrazine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IVENSCMCQBJAKW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0037495 CH$LINK: ChemOnt CHEMONTID:0001693; Organic compounds; Organoheterocyclic compounds; Triazines; Aminotriazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002383.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002383.txt index 8a85a253239..db5d6d391a9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002383.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002383.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002383 -RECORD_TITLE: Dapsone; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Dapsone; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MQJKPEGWNLWLTK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020371 CH$LINK: ChemOnt CHEMONTID:0004233; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002384.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002384.txt index 0e6b4546877..f15009ddee3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002384.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002384.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002384 -RECORD_TITLE: Dapsone; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Dapsone; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MQJKPEGWNLWLTK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020371 CH$LINK: ChemOnt CHEMONTID:0004233; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002385.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002385.txt index 2d04836c4d0..8e76bbe0c1a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002385.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002385.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002385 -RECORD_TITLE: Dapsone; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Dapsone; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MQJKPEGWNLWLTK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020371 CH$LINK: ChemOnt CHEMONTID:0004233; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002386.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002386.txt index 1910b7e727a..5ce9a278484 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002386.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002386.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002386 -RECORD_TITLE: Dapsone; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Dapsone; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MQJKPEGWNLWLTK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020371 CH$LINK: ChemOnt CHEMONTID:0004233; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002387.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002387.txt index eb62c22bb94..95d58d3b7b0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002387.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002387.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002387 -RECORD_TITLE: Dapsone; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Dapsone; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MQJKPEGWNLWLTK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020371 CH$LINK: ChemOnt CHEMONTID:0004233; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002388.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002388.txt index a4d18bd2f61..544e832eb6a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002388.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002388.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002388 -RECORD_TITLE: 2-Amino-2-methyl-1,3-propanediol; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 2-Amino-2-methyl-1,3-propanediol; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY UXFQFBNBSPQBJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059430 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002389.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002389.txt index 918d3bed8f5..0268deff852 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002389.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002389.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002389 -RECORD_TITLE: 2-Amino-2-methyl-1,3-propanediol; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 2-Amino-2-methyl-1,3-propanediol; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY UXFQFBNBSPQBJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059430 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002390.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002390.txt index 0db582d8265..55a2389467b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002390.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002390.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002390 -RECORD_TITLE: 2-Amino-2-methyl-1,3-propanediol; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 2-Amino-2-methyl-1,3-propanediol; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY UXFQFBNBSPQBJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059430 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002391.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002391.txt index 5879199dfed..4cadf9c974c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002391.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002391.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002391 -RECORD_TITLE: 2-Amino-2-methyl-1,3-propanediol; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 2-Amino-2-methyl-1,3-propanediol; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY UXFQFBNBSPQBJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059430 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002392.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002392.txt index e33bb613ead..e6a5e910634 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002392.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002392.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002392 -RECORD_TITLE: 2-Amino-2-methyl-1,3-propanediol; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 2-Amino-2-methyl-1,3-propanediol; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY UXFQFBNBSPQBJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059430 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002393.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002393.txt index fe58fa37b34..8a1c9fc4ae8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002393.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002393.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002393 -RECORD_TITLE: Amiloride; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Amiloride; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XSDQTOBWRPYKKA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9043853 CH$LINK: ChemOnt CHEMONTID:0000067; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002394.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002394.txt index acaf3a0b076..fd71c452f40 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002394.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002394.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002394 -RECORD_TITLE: Amiloride; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Amiloride; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XSDQTOBWRPYKKA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9043853 CH$LINK: ChemOnt CHEMONTID:0000067; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002395.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002395.txt index f841c7a9af2..337332a2b9f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002395.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002395.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002395 -RECORD_TITLE: Amiloride; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Amiloride; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XSDQTOBWRPYKKA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9043853 CH$LINK: ChemOnt CHEMONTID:0000067; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002396.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002396.txt index 267007bc134..09248c009fe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002396.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002396.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002396 -RECORD_TITLE: Amiloride; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Amiloride; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XSDQTOBWRPYKKA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9043853 CH$LINK: ChemOnt CHEMONTID:0000067; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002397.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002397.txt index e6cd4520f55..4bef2e9c7c0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002397.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002397.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002397 -RECORD_TITLE: Amiloride; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Amiloride; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XSDQTOBWRPYKKA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9043853 CH$LINK: ChemOnt CHEMONTID:0000067; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002398.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002398.txt index 85a28e7d486..1d96eacdce4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002398.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002398.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002398 -RECORD_TITLE: DAMGO; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: DAMGO; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HPZJMUBDEAMBFI-WTNAPCKOSA-N CH$LINK: COMPTOX DTXSID30228775 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002399.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002399.txt index d2911c32e48..6a23c60c268 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002399.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002399.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002399 -RECORD_TITLE: DAMGO; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: DAMGO; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HPZJMUBDEAMBFI-WTNAPCKOSA-N CH$LINK: COMPTOX DTXSID30228775 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002400.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002400.txt index 50bfc5f723b..1f2a09ae3b1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002400.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002400.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002400 -RECORD_TITLE: DAMGO; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: DAMGO; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HPZJMUBDEAMBFI-WTNAPCKOSA-N CH$LINK: COMPTOX DTXSID30228775 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002401.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002401.txt index c432c5690a4..18d0d12c8bf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002401.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002401 -RECORD_TITLE: DAMGO; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: DAMGO; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HPZJMUBDEAMBFI-WTNAPCKOSA-N CH$LINK: COMPTOX DTXSID30228775 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002402.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002402.txt index 7e632cdcd3c..2a266b89155 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002402.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002402 -RECORD_TITLE: DAMGO; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: DAMGO; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HPZJMUBDEAMBFI-WTNAPCKOSA-N CH$LINK: COMPTOX DTXSID30228775 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002403.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002403.txt index ffb3e1657f5..6a0a13912d3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002403.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002403 -RECORD_TITLE: (Aminomethyl)phosphonic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: (Aminomethyl)phosphonic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MGRVRXRGTBOSHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5037490 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002404.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002404.txt index 8c113bf1daa..7910920b122 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002404.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002404 -RECORD_TITLE: (Aminomethyl)phosphonic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: (Aminomethyl)phosphonic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MGRVRXRGTBOSHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5037490 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002405.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002405.txt index 83fe8958276..fc153f8dc9e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002405.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002405 -RECORD_TITLE: (Aminomethyl)phosphonic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: (Aminomethyl)phosphonic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MGRVRXRGTBOSHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5037490 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002406.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002406.txt index ede0ad2458e..8e3dc352f18 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002406.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002406.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002406 -RECORD_TITLE: (Aminomethyl)phosphonic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: (Aminomethyl)phosphonic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MGRVRXRGTBOSHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5037490 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002407.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002407.txt index 2d5ade8f220..d5c45a84484 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002407.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002407 -RECORD_TITLE: (Aminomethyl)phosphonic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: (Aminomethyl)phosphonic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MGRVRXRGTBOSHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5037490 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002408.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002408.txt index e6154fccdd3..d0a75517599 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002408.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002408 -RECORD_TITLE: Aminophylline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Aminophylline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.10.25) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002409.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002409.txt index 709cbbe4224..95625261430 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002409.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002409 -RECORD_TITLE: Aminophylline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Aminophylline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.10.25) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002410.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002410.txt index 0ad6616ac97..d4daac19387 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002410.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002410.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002410 -RECORD_TITLE: Aminophylline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Aminophylline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.10.25) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002411.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002411.txt index 7db6021f15e..0088dabf248 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002411.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002411.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002411 -RECORD_TITLE: Aminophylline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Aminophylline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.10.25) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002412.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002412.txt index 7ce86884d38..edb4533b158 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002412.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002412.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002412 -RECORD_TITLE: Aminophylline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Aminophylline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.10.25) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002413.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002413.txt index 79cfc69ae61..5fe2f8d8157 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002413.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002413.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002413 -RECORD_TITLE: Amikacin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Amikacin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LKCWBDHBTVXHDL-RMDFUYIESA-N CH$LINK: COMPTOX DTXSID3022586 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002414.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002414.txt index cd9965877ea..2c4b36909cb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002414.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002414.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002414 -RECORD_TITLE: Amikacin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Amikacin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LKCWBDHBTVXHDL-RMDFUYIESA-N CH$LINK: COMPTOX DTXSID3022586 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002415.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002415.txt index b11c9a7e5e6..77aa27e9929 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002415.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002415.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002415 -RECORD_TITLE: Amikacin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Amikacin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LKCWBDHBTVXHDL-RMDFUYIESA-N CH$LINK: COMPTOX DTXSID3022586 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002416.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002416.txt index 13702a51731..616717be28e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002416.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002416.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002416 -RECORD_TITLE: Amikacin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Amikacin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LKCWBDHBTVXHDL-RMDFUYIESA-N CH$LINK: COMPTOX DTXSID3022586 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002417.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002417.txt index 96e775ea156..f4864150f64 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002417.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002417.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002417 -RECORD_TITLE: Amikacin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Amikacin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LKCWBDHBTVXHDL-RMDFUYIESA-N CH$LINK: COMPTOX DTXSID3022586 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002418.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002418.txt index 2506798f213..fa5aa45e290 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002418.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002418.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002418 -RECORD_TITLE: L-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-2-Aminobutyric acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QWCKQJZIFLGMSD-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID10883684 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002419.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002419.txt index b55690e2d08..b73d89e07f6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002419.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002419.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002419 -RECORD_TITLE: L-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-2-Aminobutyric acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QWCKQJZIFLGMSD-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID10883684 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002420.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002420.txt index 4c1dd32c3cd..8eb55961c92 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002420.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002420.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002420 -RECORD_TITLE: L-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-2-Aminobutyric acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QWCKQJZIFLGMSD-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID10883684 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002421.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002421.txt index 3f6d0ed5047..049546ddf70 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002421.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002421.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002421 -RECORD_TITLE: L-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-2-Aminobutyric acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QWCKQJZIFLGMSD-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID10883684 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002422.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002422.txt index 7e75838d749..f1b113e4a48 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002422.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002422.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002422 -RECORD_TITLE: L-2-Aminobutyric acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-2-Aminobutyric acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QWCKQJZIFLGMSD-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID10883684 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002423.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002423.txt index 313ec74789e..7ca5c6eeef8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002423.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002423.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002423 -RECORD_TITLE: Putrescine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Putrescine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KIDHWZJUCRJVML-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4041107 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002424.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002424.txt index b848cb7627b..7f43bc4d9ca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002424.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002424.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002424 -RECORD_TITLE: Putrescine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Putrescine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KIDHWZJUCRJVML-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4041107 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002425.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002425.txt index ecf73a5ba5d..170d151b8a9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002425.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002425.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002425 -RECORD_TITLE: Putrescine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Putrescine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KIDHWZJUCRJVML-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4041107 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002426.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002426.txt index 7d7fd785ec4..7ab2abfe710 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002426.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002426.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002426 -RECORD_TITLE: Putrescine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Putrescine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KIDHWZJUCRJVML-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4041107 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002427.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002427.txt index 994bd6f8be5..c989c881ae3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002427.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002427.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002427 -RECORD_TITLE: Putrescine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Putrescine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KIDHWZJUCRJVML-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4041107 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002428.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002428.txt index 6c3626ac304..751218264e7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002428.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002428.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002428 -RECORD_TITLE: Benzamidine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Benzamidine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PXXJHWLDUBFPOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045012 CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002429.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002429.txt index 4b437f43aea..f1c11c96286 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002429.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002429.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002429 -RECORD_TITLE: Benzamidine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Benzamidine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PXXJHWLDUBFPOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045012 CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002430.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002430.txt index 7b1be147662..aa4707f3147 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002430.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002430.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002430 -RECORD_TITLE: Benzamidine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Benzamidine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PXXJHWLDUBFPOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045012 CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002431.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002431.txt index e73ab802c93..dec581587bc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002431.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002431.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002431 -RECORD_TITLE: Benzamidine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Benzamidine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PXXJHWLDUBFPOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045012 CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002432.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002432.txt index c3c0c03d30e..5cda0acd7e6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002432.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002432.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002432 -RECORD_TITLE: Benzamidine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Benzamidine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PXXJHWLDUBFPOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045012 CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002433.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002433.txt index d33f0900ce4..eba617d06b8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002433.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002433.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002433 -RECORD_TITLE: Benzimidazole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Benzimidazole; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HYZJCKYKOHLVJF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024573 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002434.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002434.txt index bb2666fe432..48cb407badb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002434.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002434.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002434 -RECORD_TITLE: Benzimidazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Benzimidazole; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HYZJCKYKOHLVJF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024573 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002435.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002435.txt index 56215101650..975b4594849 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002435.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002435.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002435 -RECORD_TITLE: Benzimidazole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Benzimidazole; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HYZJCKYKOHLVJF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024573 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002436.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002436.txt index c168756690e..6160a14f3a7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002436.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002436.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002436 -RECORD_TITLE: Benzimidazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Benzimidazole; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HYZJCKYKOHLVJF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024573 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002437.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002437.txt index c473a23f4d9..aee01462320 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002437.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002437.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002437 -RECORD_TITLE: Benzimidazole; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Benzimidazole; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HYZJCKYKOHLVJF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024573 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002438.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002438.txt index e31b1ccb415..436c33ad100 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002438.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002438.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002438 -RECORD_TITLE: Benzamide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Benzamide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KXDAEFPNCMNJSK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0021709 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002439.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002439.txt index 5fddb0b74b3..68fab502597 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002439.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002439.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002439 -RECORD_TITLE: Benzamide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Benzamide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KXDAEFPNCMNJSK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0021709 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002440.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002440.txt index 5343e585d28..936589a27bf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002440.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002440.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002440 -RECORD_TITLE: Benzamide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Benzamide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KXDAEFPNCMNJSK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0021709 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002441.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002441.txt index f33f4b35dab..7d725fede51 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002441.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002441.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002441 -RECORD_TITLE: Benzamide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Benzamide; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KXDAEFPNCMNJSK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0021709 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002442.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002442.txt index 31613fad808..b08b7d55dba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002442.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002442.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002442 -RECORD_TITLE: Benzamide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Benzamide; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KXDAEFPNCMNJSK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0021709 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002443.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002443.txt index 6db501e4f5c..a0005a752c4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002443.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002443.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002443 -RECORD_TITLE: Buformin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Buformin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY XSEUMFJMFFMCIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6046420 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002444.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002444.txt index 1b6e712aa82..5394ab7be62 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002444.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002444.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002444 -RECORD_TITLE: Buformin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Buformin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY XSEUMFJMFFMCIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6046420 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002445.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002445.txt index a572ca963cf..85e3f123004 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002445.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002445.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002445 -RECORD_TITLE: Buformin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Buformin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY XSEUMFJMFFMCIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6046420 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002446.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002446.txt index a28cf1bd2bd..12a65e5d5ce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002446.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002446.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002446 -RECORD_TITLE: Buformin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Buformin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY XSEUMFJMFFMCIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6046420 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002447.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002447.txt index 4ca60e514a0..eddb22b3ccb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002447.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002447.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002447 -RECORD_TITLE: Buformin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Buformin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY XSEUMFJMFFMCIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6046420 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002448.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002448.txt index fcf82b7b42b..ecf355ffe0f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002448.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002448.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002448 -RECORD_TITLE: Benzocaine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Benzocaine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BLFLLBZGZJTVJG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021804 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002449.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002449.txt index cdf91d7275f..2ae1da343c4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002449.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002449.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002449 -RECORD_TITLE: Benzocaine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Benzocaine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BLFLLBZGZJTVJG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021804 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002450.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002450.txt index 2e3fbb161c8..539a2fdf516 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002450.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002450.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002450 -RECORD_TITLE: Benzocaine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Benzocaine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BLFLLBZGZJTVJG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021804 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002451.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002451.txt index b5d07cb7d6a..f0aa598dc72 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002451.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002451.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002451 -RECORD_TITLE: Benzocaine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Benzocaine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BLFLLBZGZJTVJG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021804 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002452.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002452.txt index 7862130e1ea..f2c49ee94c7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002452.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002452.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002452 -RECORD_TITLE: Benzocaine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Benzocaine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BLFLLBZGZJTVJG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021804 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002453.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002453.txt index 66df0fdd488..45b7fd1b1f6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002453.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002453.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002453 -RECORD_TITLE: (+-)-Baclofen; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: (+-)-Baclofen; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY KPYSYYIEGFHWSV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022641 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002454.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002454.txt index c1b3387507b..9bf1e7377f2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002454.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002454.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002454 -RECORD_TITLE: (+-)-Baclofen; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: (+-)-Baclofen; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY KPYSYYIEGFHWSV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022641 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002455.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002455.txt index 4d91040fb00..9abc35a9106 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002455.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002455.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002455 -RECORD_TITLE: (+-)-Baclofen; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: (+-)-Baclofen; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY KPYSYYIEGFHWSV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022641 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002456.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002456.txt index dc28d281614..dd9e3f49730 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002456.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002456.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002456 -RECORD_TITLE: (+-)-Baclofen; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: (+-)-Baclofen; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY KPYSYYIEGFHWSV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022641 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002457.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002457.txt index 8c3f434a284..f20d263216b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002457.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002457.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002457 -RECORD_TITLE: (+-)-Baclofen; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: (+-)-Baclofen; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY KPYSYYIEGFHWSV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022641 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002458.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002458.txt index 9c925cfdcec..e47fabfe9d8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002458.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002458.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002458 -RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY NWBJYWHLCVSVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7032630 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002459.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002459.txt index a5a7599f2c8..9f5f3d29cb4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002459.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002459.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002459 -RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY NWBJYWHLCVSVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7032630 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002460.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002460.txt index bac4df4c856..6aa65a194cc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002460.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002460.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002460 -RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY NWBJYWHLCVSVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7032630 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002461.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002461.txt index d143a7eced2..5cdd640f2db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002461.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002461.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002461 -RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY NWBJYWHLCVSVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7032630 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002462.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002462.txt index c369d068bcf..3cb5ec0e0fb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002462.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002462.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002462 -RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 6-Benzylaminopurine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY NWBJYWHLCVSVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7032630 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002463.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002463.txt index 15210a4822b..be6c65814a2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002463.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002463.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002463 -RECORD_TITLE: Bestatin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Bestatin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439299 CH$LINK: INCHIKEY VGGGPCQERPFHOB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002464.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002464.txt index a117a52f6bb..e17a074bc22 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002464.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002464.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002464 -RECORD_TITLE: Bestatin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Bestatin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439299 CH$LINK: INCHIKEY VGGGPCQERPFHOB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002465.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002465.txt index 525aa63a492..362c5c7fda2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002465.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002465.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002465 -RECORD_TITLE: Bestatin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Bestatin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439299 CH$LINK: INCHIKEY VGGGPCQERPFHOB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002466.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002466.txt index 815a0a2cf8a..414bd5698b2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002466.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002466.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002466 -RECORD_TITLE: Bestatin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Bestatin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439299 CH$LINK: INCHIKEY VGGGPCQERPFHOB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002467.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002467.txt index 1dee27423b0..c6f2ecf142b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002467.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002467.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002467 -RECORD_TITLE: Bestatin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Bestatin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439299 CH$LINK: INCHIKEY VGGGPCQERPFHOB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002468.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002468.txt index 3622cd36238..58beedec007 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002468.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002468.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002468 -RECORD_TITLE: Blasticidin S; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Blasticidin S; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439625 CH$LINK: INCHIKEY CXNPLSGKWMLZPZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002469.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002469.txt index cbbf5389ff8..905d65dfa83 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002469.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002469.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002469 -RECORD_TITLE: Blasticidin S; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Blasticidin S; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439625 CH$LINK: INCHIKEY CXNPLSGKWMLZPZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002470.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002470.txt index 4c34014b7d7..25e17fcc99d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002470.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002470.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002470 -RECORD_TITLE: Blasticidin S; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Blasticidin S; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439625 CH$LINK: INCHIKEY CXNPLSGKWMLZPZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002471.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002471.txt index f33213abdac..adc66bca69a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002471.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002471.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002471 -RECORD_TITLE: Blasticidin S; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Blasticidin S; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439625 CH$LINK: INCHIKEY CXNPLSGKWMLZPZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002472.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002472.txt index 6027a05f46e..02173cf0446 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002472.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002472.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002472 -RECORD_TITLE: Blasticidin S; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Blasticidin S; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439625 CH$LINK: INCHIKEY CXNPLSGKWMLZPZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002473.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002473.txt index dc3d823d2ac..14416a28547 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002473.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002473.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002473 -RECORD_TITLE: Berberine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Berberine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YBHILYKTIRIUTE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9043857 CH$LINK: ChemOnt CHEMONTID:0001909; Organic compounds; Alkaloids and derivatives; Protoberberine alkaloids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002474.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002474.txt index 6459b57865b..e98730b856f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002474.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002474.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002474 -RECORD_TITLE: Berberine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Berberine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YBHILYKTIRIUTE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9043857 CH$LINK: ChemOnt CHEMONTID:0001909; Organic compounds; Alkaloids and derivatives; Protoberberine alkaloids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002475.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002475.txt index 39816895d56..c383ec366aa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002475.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002475.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002475 -RECORD_TITLE: Berberine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Berberine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YBHILYKTIRIUTE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9043857 CH$LINK: ChemOnt CHEMONTID:0001909; Organic compounds; Alkaloids and derivatives; Protoberberine alkaloids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002476.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002476.txt index 381222d36b7..d6bb1234d16 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002476.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002476.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002476 -RECORD_TITLE: Berberine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Berberine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YBHILYKTIRIUTE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9043857 CH$LINK: ChemOnt CHEMONTID:0001909; Organic compounds; Alkaloids and derivatives; Protoberberine alkaloids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002477.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002477.txt index 544732f1e06..8ecfba90bf2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002477.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002477.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002477 -RECORD_TITLE: Berberine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Berberine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YBHILYKTIRIUTE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9043857 CH$LINK: ChemOnt CHEMONTID:0001909; Organic compounds; Alkaloids and derivatives; Protoberberine alkaloids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002478.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002478.txt index acd4deb2309..c45d9b09258 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002478.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002478.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002478 -RECORD_TITLE: Na-Benzenolarginine ethylester; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Na-Benzenolarginine ethylester; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:439543 CH$LINK: INCHIKEY YQDHCCVUYCIGSW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002479.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002479.txt index cbe197d0c95..98f41aee859 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002479.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002479.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002479 -RECORD_TITLE: Na-Benzenolarginine ethylester; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Na-Benzenolarginine ethylester; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:439543 CH$LINK: INCHIKEY YQDHCCVUYCIGSW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002480.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002480.txt index cb13f62cad6..5577909e1bd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002480.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002480.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002480 -RECORD_TITLE: Na-Benzenolarginine ethylester; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Na-Benzenolarginine ethylester; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:439543 CH$LINK: INCHIKEY YQDHCCVUYCIGSW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002481.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002481.txt index f04161cb437..7d3311d88bb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002481.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002481.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002481 -RECORD_TITLE: Na-Benzenolarginine ethylester; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Na-Benzenolarginine ethylester; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:439543 CH$LINK: INCHIKEY YQDHCCVUYCIGSW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002482.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002482.txt index 10366722f85..b3b5b0b4fe0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002482.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002482.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002482 -RECORD_TITLE: Na-Benzenolarginine ethylester; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Na-Benzenolarginine ethylester; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:439543 CH$LINK: INCHIKEY YQDHCCVUYCIGSW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002483.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002483.txt index 035963a6da0..f414b91ab39 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002483.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002483.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002483 -RECORD_TITLE: Bekanamycin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Bekanamycin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SKKLOUVUUNMCJE-FQSMHNGLSA-N CH$LINK: COMPTOX DTXSID8023185 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002484.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002484.txt index f54a62f7885..6036df9adbe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002484.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002484.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002484 -RECORD_TITLE: Bekanamycin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Bekanamycin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SKKLOUVUUNMCJE-FQSMHNGLSA-N CH$LINK: COMPTOX DTXSID8023185 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002485.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002485.txt index 5e0d255a5ae..978462e5e2a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002485.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002485.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002485 -RECORD_TITLE: Bekanamycin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Bekanamycin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SKKLOUVUUNMCJE-FQSMHNGLSA-N CH$LINK: COMPTOX DTXSID8023185 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002486.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002486.txt index d7e3fb881b8..3e6cb4ef844 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002486.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002486.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002486 -RECORD_TITLE: Bekanamycin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Bekanamycin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SKKLOUVUUNMCJE-FQSMHNGLSA-N CH$LINK: COMPTOX DTXSID8023185 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002487.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002487.txt index b0bea0012c2..8848603fda3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002487.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002487.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002487 -RECORD_TITLE: Bekanamycin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Bekanamycin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SKKLOUVUUNMCJE-FQSMHNGLSA-N CH$LINK: COMPTOX DTXSID8023185 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002488.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002488.txt index 7fb35efa383..7fcf2108d50 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002488.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002488.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002488 -RECORD_TITLE: Bekanamycin; LC-ESI-QQ; MS2; CE:10 V; [M+2H]++ +RECORD_TITLE: Bekanamycin; LC-ESI-QQQ; MS2; CE:10 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SKKLOUVUUNMCJE-FQSMHNGLSA-N CH$LINK: COMPTOX DTXSID8023185 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002489.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002489.txt index 8c3eac3083e..d56d89e365e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002489.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002489.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002489 -RECORD_TITLE: Bekanamycin; LC-ESI-QQ; MS2; CE:20 V; [M+2H]++ +RECORD_TITLE: Bekanamycin; LC-ESI-QQQ; MS2; CE:20 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SKKLOUVUUNMCJE-FQSMHNGLSA-N CH$LINK: COMPTOX DTXSID8023185 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002490.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002490.txt index 3292ccbfe52..48765529ca7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002490.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002490.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002490 -RECORD_TITLE: Bekanamycin; LC-ESI-QQ; MS2; CE:30 V; [M+2H]++ +RECORD_TITLE: Bekanamycin; LC-ESI-QQQ; MS2; CE:30 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SKKLOUVUUNMCJE-FQSMHNGLSA-N CH$LINK: COMPTOX DTXSID8023185 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002491.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002491.txt index d761f712c51..143d5d81b80 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002491.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002491.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002491 -RECORD_TITLE: Bekanamycin; LC-ESI-QQ; MS2; CE:40 V; [M+2H]++ +RECORD_TITLE: Bekanamycin; LC-ESI-QQQ; MS2; CE:40 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SKKLOUVUUNMCJE-FQSMHNGLSA-N CH$LINK: COMPTOX DTXSID8023185 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002492.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002492.txt index 01f547fcd41..74c26be055e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002492.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002492.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002492 -RECORD_TITLE: Bekanamycin; LC-ESI-QQ; MS2; CE:50 V; [M+2H]++ +RECORD_TITLE: Bekanamycin; LC-ESI-QQQ; MS2; CE:50 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SKKLOUVUUNMCJE-FQSMHNGLSA-N CH$LINK: COMPTOX DTXSID8023185 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002493.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002493.txt index 2c7f0015b2e..c79f3c66b99 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002493.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002493.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002493 -RECORD_TITLE: Bis(3-Aminopropyl)amine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Bis(3-Aminopropyl)amine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY OTBHHUPVCYLGQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0025440 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002494.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002494.txt index 93c8a7241cc..ff22a6ef160 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002494.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002494.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002494 -RECORD_TITLE: Bis(3-Aminopropyl)amine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Bis(3-Aminopropyl)amine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY OTBHHUPVCYLGQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0025440 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002495.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002495.txt index 3b5f6090311..2621e67425c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002495.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002495.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002495 -RECORD_TITLE: Bis(3-Aminopropyl)amine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Bis(3-Aminopropyl)amine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY OTBHHUPVCYLGQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0025440 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002496.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002496.txt index f06f93e9e63..a9bcfcf6c05 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002496.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002496.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002496 -RECORD_TITLE: Bis(3-Aminopropyl)amine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Bis(3-Aminopropyl)amine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY OTBHHUPVCYLGQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0025440 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002497.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002497.txt index f334b275ac2..16d4958b4b1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002497.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002497.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002497 -RECORD_TITLE: Bis(3-Aminopropyl)amine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Bis(3-Aminopropyl)amine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY OTBHHUPVCYLGQO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0025440 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002498.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002498.txt index ff812f3865d..ae7dbd3601e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002498.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002498.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002498 -RECORD_TITLE: Betaine aldehyde; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Betaine aldehyde; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY SXKNCCSPZDCRFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20225152 CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002499.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002499.txt index 381049b069c..45053a43e96 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002499.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002499.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002499 -RECORD_TITLE: Betaine aldehyde; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Betaine aldehyde; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY SXKNCCSPZDCRFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20225152 CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002500.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002500.txt index 0e7eec3234e..3ac26606940 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002500.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002500.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002500 -RECORD_TITLE: Betaine aldehyde; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Betaine aldehyde; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY SXKNCCSPZDCRFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20225152 CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002501.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002501.txt index 9c3ab829328..d1371d8e0ee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002501.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002501 -RECORD_TITLE: Betaine aldehyde; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Betaine aldehyde; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY SXKNCCSPZDCRFD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20225152 CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002502.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002502.txt index c8f91b49637..3f590c1c969 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002502.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002502 -RECORD_TITLE: Betaine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Betaine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KWIUHFFTVRNATP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022666 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002503.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002503.txt index e9073a95588..f66c0e7faab 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002503.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002503 -RECORD_TITLE: Betaine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Betaine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KWIUHFFTVRNATP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022666 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002504.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002504.txt index 53f661453ea..8067d5353aa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002504.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002504 -RECORD_TITLE: Betaine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Betaine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KWIUHFFTVRNATP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022666 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002505.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002505.txt index 24693c38290..5087fa10cf9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002505.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002505 -RECORD_TITLE: Betaine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Betaine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KWIUHFFTVRNATP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022666 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002506.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002506.txt index b07abec56e2..585cb231fe6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002506.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002506 -RECORD_TITLE: Betaine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Betaine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KWIUHFFTVRNATP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022666 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002507.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002507.txt index 05f069c73ba..80241d0ccb2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002507.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002507 -RECORD_TITLE: Betonicine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Betonicine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MUNWAHDYFVYIKH-RITPCOANSA-N CH$LINK: COMPTOX DTXSID30965830 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002508.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002508.txt index 1e0297339a0..73e2e59136e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002508.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002508 -RECORD_TITLE: Betonicine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Betonicine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MUNWAHDYFVYIKH-RITPCOANSA-N CH$LINK: COMPTOX DTXSID30965830 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002509.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002509.txt index 903a269d9a1..f5c0be33a11 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002509.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002509.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002509 -RECORD_TITLE: Betonicine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Betonicine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MUNWAHDYFVYIKH-RITPCOANSA-N CH$LINK: COMPTOX DTXSID30965830 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002510.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002510.txt index dc90c22643d..f05be403c85 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002510.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002510.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002510 -RECORD_TITLE: Betonicine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Betonicine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MUNWAHDYFVYIKH-RITPCOANSA-N CH$LINK: COMPTOX DTXSID30965830 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002511.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002511.txt index 18dd78a54ed..f441c9855cf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002511.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002511.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002511 -RECORD_TITLE: Betonicine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Betonicine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MUNWAHDYFVYIKH-RITPCOANSA-N CH$LINK: COMPTOX DTXSID30965830 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002512.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002512.txt index 0f9af49d058..c0889de0e3b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002512.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002512.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002512 -RECORD_TITLE: Bumetanide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Bumetanide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY MAEIEVLCKWDQJH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022699 CH$LINK: ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002513.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002513.txt index f2021da6177..1256e273a9e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002513.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002513.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002513 -RECORD_TITLE: Bumetanide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Bumetanide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY MAEIEVLCKWDQJH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022699 CH$LINK: ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002514.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002514.txt index ad9e2baffbd..50d8736735d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002514.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002514.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002514 -RECORD_TITLE: Bumetanide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Bumetanide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY MAEIEVLCKWDQJH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022699 CH$LINK: ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002515.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002515.txt index b481f9f9880..ce2656a68af 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002515.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002515.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002515 -RECORD_TITLE: Bumetanide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Bumetanide; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY MAEIEVLCKWDQJH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022699 CH$LINK: ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002516.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002516.txt index 5021006a601..32885e35d7e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002516.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002516.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002516 -RECORD_TITLE: Bumetanide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Bumetanide; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY MAEIEVLCKWDQJH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022699 CH$LINK: ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002517.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002517.txt index 414bb9e33fe..4ed4e9f835c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002517.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002517.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002517 -RECORD_TITLE: Creatine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Creatine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CVSVTCORWBXHQV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1040451 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002518.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002518.txt index 01f47d6cf4c..34b2e3ba263 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002518.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002518.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002518 -RECORD_TITLE: Creatine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Creatine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CVSVTCORWBXHQV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1040451 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002519.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002519.txt index 34680de4812..8b707cdb138 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002519.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002519.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002519 -RECORD_TITLE: Creatine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Creatine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CVSVTCORWBXHQV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1040451 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002520.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002520.txt index 84e3b1ae202..888f5bbd66b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002520.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002520.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002520 -RECORD_TITLE: Creatine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Creatine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CVSVTCORWBXHQV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1040451 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002521.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002521.txt index a2e7ee68d73..545d637a152 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002521.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002521.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002521 -RECORD_TITLE: Creatine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Creatine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CVSVTCORWBXHQV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1040451 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002522.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002522.txt index baaef70b08f..fdccceb8864 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002522.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002522.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002522 -RECORD_TITLE: L-Carnosine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-Carnosine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CQOVPNPJLQNMDC-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID80879594 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002523.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002523.txt index de5c660535e..b0e5b7a1589 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002523.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002523.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002523 -RECORD_TITLE: L-Carnosine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-Carnosine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CQOVPNPJLQNMDC-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID80879594 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002524.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002524.txt index 58438ee0874..6b9e116b685 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002524.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002524.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002524 -RECORD_TITLE: L-Carnosine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-Carnosine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CQOVPNPJLQNMDC-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID80879594 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002525.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002525.txt index 5c1d2cf8950..79e12921511 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002525.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002525.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002525 -RECORD_TITLE: L-Carnosine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-Carnosine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CQOVPNPJLQNMDC-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID80879594 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002526.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002526.txt index 4b97a36beb3..1f9391f8557 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002526.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002526.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002526 -RECORD_TITLE: L-Carnosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-Carnosine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CQOVPNPJLQNMDC-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID80879594 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002527.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002527.txt index 0042e63c8d8..0176b47036c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002527.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002527.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002527 -RECORD_TITLE: L-Citrulline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-Citrulline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY RHGKLRLOHDJJDR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID80883373 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002528.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002528.txt index 1d6443e7ae7..3e8cdc9d614 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002528.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002528.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002528 -RECORD_TITLE: L-Citrulline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-Citrulline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY RHGKLRLOHDJJDR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID80883373 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002529.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002529.txt index 68dc3a599c4..f8e67fe5c6a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002529.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002529.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002529 -RECORD_TITLE: L-Citrulline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-Citrulline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY RHGKLRLOHDJJDR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID80883373 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002530.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002530.txt index 6f55412cce5..7308843e25c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002530.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002530.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002530 -RECORD_TITLE: L-Citrulline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-Citrulline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY RHGKLRLOHDJJDR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID80883373 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002531.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002531.txt index fe36bc7b91d..330c78095ef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002531.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002531.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002531 -RECORD_TITLE: L-Citrulline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-Citrulline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY RHGKLRLOHDJJDR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID80883373 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002532.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002532.txt index 3aef293990d..c9abc917710 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002532.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002532.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002532 -RECORD_TITLE: L-Cysteine Sulfinic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-Cysteine Sulfinic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ADVPTQAUNPRNPO-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20862546 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002533.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002533.txt index 5d4449e2fc8..394b45c3582 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002533.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002533.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002533 -RECORD_TITLE: L-Cysteine Sulfinic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-Cysteine Sulfinic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ADVPTQAUNPRNPO-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20862546 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002534.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002534.txt index 1e1374d60fa..db148d952c7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002534.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002534.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002534 -RECORD_TITLE: L-Cysteine Sulfinic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-Cysteine Sulfinic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ADVPTQAUNPRNPO-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20862546 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002535.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002535.txt index 42d32cb76bd..72a9f65c7e4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002535.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002535.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002535 -RECORD_TITLE: L-Cysteine Sulfinic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-Cysteine Sulfinic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ADVPTQAUNPRNPO-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20862546 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002536.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002536.txt index 1d865fa081c..e6d4400a40a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002536.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002536.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002536 -RECORD_TITLE: L-Cysteine Sulfinic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-Cysteine Sulfinic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ADVPTQAUNPRNPO-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20862546 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002537.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002537.txt index 0aca4b1f97a..336e73f6ba2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002537.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002537.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002537 -RECORD_TITLE: Caffeine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Caffeine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RYYVLZVUVIJVGH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020232 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002538.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002538.txt index bca0e5e4fcb..32f1fb41825 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002538.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002538.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002538 -RECORD_TITLE: Caffeine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Caffeine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RYYVLZVUVIJVGH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020232 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002539.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002539.txt index 5f60b2d33c2..b9a7746e902 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002539.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002539.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002539 -RECORD_TITLE: Caffeine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Caffeine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RYYVLZVUVIJVGH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020232 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002540.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002540.txt index 90eeeeb82a0..7b202c46437 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002540.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002540.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002540 -RECORD_TITLE: Caffeine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Caffeine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RYYVLZVUVIJVGH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020232 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002541.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002541.txt index 4c3e433a8af..dcc5e758846 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002541.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002541.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002541 -RECORD_TITLE: Caffeine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Caffeine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RYYVLZVUVIJVGH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020232 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002542.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002542.txt index 67ef380348d..a2a91219b01 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002542.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002542.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002542 -RECORD_TITLE: Cadaverine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Cadaverine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY VHRGRCVQAFMJIZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5075448 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002543.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002543.txt index 1ab8a4062cf..4db92b3860e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002543.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002543.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002543 -RECORD_TITLE: Cadaverine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Cadaverine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY VHRGRCVQAFMJIZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5075448 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002544.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002544.txt index b321afc288c..7466fb17bd4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002544.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002544.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002544 -RECORD_TITLE: Cadaverine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Cadaverine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY VHRGRCVQAFMJIZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5075448 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002545.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002545.txt index 7064781fbca..2cd3c5a2ea3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002545.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002545.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002545 -RECORD_TITLE: Cadaverine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Cadaverine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY VHRGRCVQAFMJIZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5075448 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002546.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002546.txt index 19b73fbaff4..c8b5c13763f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002546.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002546.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002546 -RECORD_TITLE: Cadaverine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Cadaverine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY VHRGRCVQAFMJIZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5075448 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002547.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002547.txt index 6bdec0e375f..285fca7dd05 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002547.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002547.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002547 -RECORD_TITLE: Creatinine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Creatinine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045987 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002548.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002548.txt index 5329b25d30b..bd74cf10e4a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002548.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002548.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002548 -RECORD_TITLE: Creatinine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Creatinine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045987 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002549.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002549.txt index b800f8683f6..651df03abac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002549.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002549.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002549 -RECORD_TITLE: Creatinine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Creatinine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045987 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002550.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002550.txt index 56945455a28..c0d8896be45 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002550.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002550.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002550 -RECORD_TITLE: Creatinine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Creatinine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045987 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002551.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002551.txt index 7d4ef23e37b..a5a8b8aa019 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002551.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002551.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002551 -RECORD_TITLE: Creatinine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Creatinine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045987 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002552.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002552.txt index 07c508a8a2b..e9b7caae7e5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002552.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002552.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002552 -RECORD_TITLE: Carbazole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Carbazole; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UJOBWOGCFQCDNV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020248 CH$LINK: ChemOnt CHEMONTID:0000210; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002553.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002553.txt index 18a0555ec55..355c5438bec 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002553.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002553.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002553 -RECORD_TITLE: Carbazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Carbazole; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UJOBWOGCFQCDNV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020248 CH$LINK: ChemOnt CHEMONTID:0000210; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002554.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002554.txt index 5aa182d98f2..f7e973997dd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002554.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002554.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002554 -RECORD_TITLE: Carbazole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Carbazole; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UJOBWOGCFQCDNV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020248 CH$LINK: ChemOnt CHEMONTID:0000210; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002555.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002555.txt index 01172d69ccc..9302f7dc50d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002555.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002555.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002555 -RECORD_TITLE: Carbazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Carbazole; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UJOBWOGCFQCDNV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020248 CH$LINK: ChemOnt CHEMONTID:0000210; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002556.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002556.txt index 67ed6e610d3..ac2105ec594 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002556.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002556.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002556 -RECORD_TITLE: Carbazole; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Carbazole; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UJOBWOGCFQCDNV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020248 CH$LINK: ChemOnt CHEMONTID:0000210; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002557.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002557.txt index 9f151414c3a..1f04106bffd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002557.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002557.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002557 -RECORD_TITLE: Carnitine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Carnitine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY PHIQHXFUZVPYII-ZCFIWIBFSA-N CH$LINK: COMPTOX DTXSID4023208 CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002558.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002558.txt index 45e815b7b06..2b5d2841cb1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002558.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002558.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002558 -RECORD_TITLE: Carnitine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Carnitine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY PHIQHXFUZVPYII-ZCFIWIBFSA-N CH$LINK: COMPTOX DTXSID4023208 CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002559.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002559.txt index 01d5459b756..fc269426971 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002559.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002559.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002559 -RECORD_TITLE: Carnitine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Carnitine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY PHIQHXFUZVPYII-ZCFIWIBFSA-N CH$LINK: COMPTOX DTXSID4023208 CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002560.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002560.txt index 0cf7db5bbba..a0f9f3943e6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002560.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002560.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002560 -RECORD_TITLE: Carnitine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Carnitine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY PHIQHXFUZVPYII-ZCFIWIBFSA-N CH$LINK: COMPTOX DTXSID4023208 CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002561.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002561.txt index 2bc1b479efb..776de401969 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002561.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002561.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002561 -RECORD_TITLE: Carnitine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Carnitine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY PHIQHXFUZVPYII-ZCFIWIBFSA-N CH$LINK: COMPTOX DTXSID4023208 CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002562.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002562.txt index ba0fa07c526..73b53086e32 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002562.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002562.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002562 -RECORD_TITLE: Castanospermine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Castanospermine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:54445 CH$LINK: INCHIKEY JDVVGAQPNNXQDW-TVNFTVLESA-N CH$LINK: ChemOnt CHEMONTID:0000251; Organic compounds; Organoheterocyclic compounds; Indolizidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002563.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002563.txt index 5695c827f52..714b983e4ad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002563.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002563.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002563 -RECORD_TITLE: Castanospermine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Castanospermine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:54445 CH$LINK: INCHIKEY JDVVGAQPNNXQDW-TVNFTVLESA-N CH$LINK: ChemOnt CHEMONTID:0000251; Organic compounds; Organoheterocyclic compounds; Indolizidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002564.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002564.txt index 59ad76a7755..7fd5dea071c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002564.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002564.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002564 -RECORD_TITLE: Castanospermine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Castanospermine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:54445 CH$LINK: INCHIKEY JDVVGAQPNNXQDW-TVNFTVLESA-N CH$LINK: ChemOnt CHEMONTID:0000251; Organic compounds; Organoheterocyclic compounds; Indolizidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002565.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002565.txt index ad476ee0b6b..d8f6f122866 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002565.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002565.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002565 -RECORD_TITLE: Castanospermine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Castanospermine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:54445 CH$LINK: INCHIKEY JDVVGAQPNNXQDW-TVNFTVLESA-N CH$LINK: ChemOnt CHEMONTID:0000251; Organic compounds; Organoheterocyclic compounds; Indolizidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002566.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002566.txt index 81d4196ee9e..d436133fff2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002566.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002566.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002566 -RECORD_TITLE: Castanospermine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Castanospermine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:54445 CH$LINK: INCHIKEY JDVVGAQPNNXQDW-TVNFTVLESA-N CH$LINK: ChemOnt CHEMONTID:0000251; Organic compounds; Organoheterocyclic compounds; Indolizidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002567.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002567.txt index 5376bc3f711..8592629b87b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002567.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002567.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002567 -RECORD_TITLE: Carbachol; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Carbachol; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY VPJXQGSRWJZDOB-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID0048397 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002568.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002568.txt index 83772e271ef..d5ad636cbab 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002568.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002568.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002568 -RECORD_TITLE: Carbachol; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Carbachol; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY VPJXQGSRWJZDOB-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID0048397 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002569.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002569.txt index 6dac3c884c4..a7b92876e7f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002569.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002569.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002569 -RECORD_TITLE: Carbachol; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Carbachol; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY VPJXQGSRWJZDOB-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID0048397 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002570.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002570.txt index 22d8476fb05..940bbd52606 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002570.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002570.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002570 -RECORD_TITLE: Carbachol; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Carbachol; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY VPJXQGSRWJZDOB-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID0048397 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002571.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002571.txt index bc9018c2183..65505cde4f6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002571.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002571.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002571 -RECORD_TITLE: Carbachol; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Carbachol; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY VPJXQGSRWJZDOB-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID0048397 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002572.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002572.txt index 0b958ff996c..53ff49103b3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002572.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002572.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002572 -RECORD_TITLE: L(+)-Cystathionine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L(+)-Cystathionine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ILRYLPWNYFXEMH-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID20971384 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002573.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002573.txt index 3f32fac5d5f..74747e397e3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002573.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002573.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002573 -RECORD_TITLE: L(+)-Cystathionine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L(+)-Cystathionine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ILRYLPWNYFXEMH-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID20971384 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002574.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002574.txt index 4f195a87ee8..74c1e851744 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002574.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002574.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002574 -RECORD_TITLE: L(+)-Cystathionine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L(+)-Cystathionine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ILRYLPWNYFXEMH-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID20971384 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002575.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002575.txt index 3a2a5b61d95..bc122948266 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002575.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002575.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002575 -RECORD_TITLE: L(+)-Cystathionine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L(+)-Cystathionine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ILRYLPWNYFXEMH-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID20971384 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002576.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002576.txt index d2f1940435c..326266782ed 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002576.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002576.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002576 -RECORD_TITLE: L(+)-Cystathionine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L(+)-Cystathionine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ILRYLPWNYFXEMH-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID20971384 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002577.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002577.txt index a74f37ed414..a7abb1ed5ef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002577.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002577.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002577 -RECORD_TITLE: Chlorogenic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Chlorogenic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: NIKKAJI J108.009A CH$LINK: PUBCHEM CID:1794427 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002578.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002578.txt index f99303bb239..34e370fbcac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002578.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002578.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002578 -RECORD_TITLE: Chlorogenic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Chlorogenic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: NIKKAJI J108.009A CH$LINK: PUBCHEM CID:1794427 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002579.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002579.txt index 963877a1566..57271c7df9b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002579.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002579.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002579 -RECORD_TITLE: Chlorogenic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Chlorogenic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: NIKKAJI J108.009A CH$LINK: PUBCHEM CID:1794427 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002580.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002580.txt index 88eb234a2f5..b36ca50b19a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002580.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002580.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002580 -RECORD_TITLE: Chlorogenic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Chlorogenic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: NIKKAJI J108.009A CH$LINK: PUBCHEM CID:1794427 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002581.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002581.txt index 610b541cf79..1317061ae7a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002581.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002581.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002581 -RECORD_TITLE: Chlorogenic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Chlorogenic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: NIKKAJI J108.009A CH$LINK: PUBCHEM CID:1794427 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002582.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002582.txt index 54061f42d1c..dbf50776fe9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002582.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002582.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002582 -RECORD_TITLE: Thiamine pyrophosphate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Thiamine pyrophosphate; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY AYEKOFBPNLCAJY-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID2048404 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002583.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002583.txt index 8ae1dc7c196..e28f883cbb4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002583.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002583.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002583 -RECORD_TITLE: Thiamine pyrophosphate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Thiamine pyrophosphate; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY AYEKOFBPNLCAJY-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID2048404 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002584.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002584.txt index ca302e9ac9d..bed74ded608 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002584.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002584.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002584 -RECORD_TITLE: Thiamine pyrophosphate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Thiamine pyrophosphate; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY AYEKOFBPNLCAJY-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID2048404 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002585.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002585.txt index d610f33e582..9e86befb1ef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002585.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002585.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002585 -RECORD_TITLE: Thiamine pyrophosphate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Thiamine pyrophosphate; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY AYEKOFBPNLCAJY-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID2048404 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002586.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002586.txt index 2e4a0d689c0..51a88ccd197 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002586.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002586.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002586 -RECORD_TITLE: Thiamine pyrophosphate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Thiamine pyrophosphate; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY AYEKOFBPNLCAJY-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID2048404 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002587.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002587.txt index 226041c1149..e6b653eca1a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002587.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002587.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002587 -RECORD_TITLE: 2-Cyanopyridine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 2-Cyanopyridine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FFNVQNRYTPFDDP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021843 CH$LINK: ChemOnt CHEMONTID:0000089; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002588.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002588.txt index 70e7da88c87..27bb36a6242 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002588.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002588.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002588 -RECORD_TITLE: 2-Cyanopyridine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 2-Cyanopyridine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FFNVQNRYTPFDDP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021843 CH$LINK: ChemOnt CHEMONTID:0000089; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002589.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002589.txt index 96e1b036264..98378778c41 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002589.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002589.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002589 -RECORD_TITLE: 2-Cyanopyridine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 2-Cyanopyridine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FFNVQNRYTPFDDP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021843 CH$LINK: ChemOnt CHEMONTID:0000089; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002590.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002590.txt index 0a202f33c9b..7dd8e34a63d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002590.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002590.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002590 -RECORD_TITLE: 2-Cyanopyridine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 2-Cyanopyridine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FFNVQNRYTPFDDP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021843 CH$LINK: ChemOnt CHEMONTID:0000089; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002591.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002591.txt index 4babe75c3cc..25619471184 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002591.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002591.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002591 -RECORD_TITLE: 2-Cyanopyridine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 2-Cyanopyridine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FFNVQNRYTPFDDP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021843 CH$LINK: ChemOnt CHEMONTID:0000089; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002592.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002592.txt index 450b46d9050..c9d83b653f4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002592.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002592.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002592 -RECORD_TITLE: Canavanine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Canavanine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FSBIGDSBMBYOPN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5045041 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002593.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002593.txt index 560aa229de0..cb53a26f345 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002593.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002593.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002593 -RECORD_TITLE: Canavanine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Canavanine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FSBIGDSBMBYOPN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5045041 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002594.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002594.txt index 6326b10e4fc..f83242f300a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002594.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002594.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002594 -RECORD_TITLE: Canavanine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Canavanine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FSBIGDSBMBYOPN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5045041 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002595.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002595.txt index 29109f2c88d..726ca1e5596 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002595.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002595.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002595 -RECORD_TITLE: Canavanine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Canavanine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FSBIGDSBMBYOPN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5045041 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002596.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002596.txt index a864de70351..2ca48ab2b4d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002596.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002596.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002596 -RECORD_TITLE: Canavanine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Canavanine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FSBIGDSBMBYOPN-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5045041 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002597.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002597.txt index 5d34677e538..d47a9509b81 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002597.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002597.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002597 -RECORD_TITLE: Cyclohexylamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Cyclohexylamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PAFZNILMFXTMIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1023996 CH$LINK: ChemOnt CHEMONTID:0002674; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Cyclohexylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002598.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002598.txt index a78ae0b48b9..6ff9afe3230 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002598.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002598.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002598 -RECORD_TITLE: Cyclohexylamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Cyclohexylamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PAFZNILMFXTMIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1023996 CH$LINK: ChemOnt CHEMONTID:0002674; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Cyclohexylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002599.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002599.txt index f440574b507..487251aa68d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002599.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002599.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002599 -RECORD_TITLE: Cyclohexylamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Cyclohexylamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PAFZNILMFXTMIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1023996 CH$LINK: ChemOnt CHEMONTID:0002674; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Cyclohexylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002600.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002600.txt index 249c97eaa98..0b8788d1f05 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002600.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002600.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002600 -RECORD_TITLE: Cyclohexylamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Cyclohexylamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PAFZNILMFXTMIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1023996 CH$LINK: ChemOnt CHEMONTID:0002674; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Cyclohexylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002601.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002601.txt index 42b22b7b075..9fbe737e368 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002601.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002601 -RECORD_TITLE: Cyclohexylamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Cyclohexylamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PAFZNILMFXTMIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1023996 CH$LINK: ChemOnt CHEMONTID:0002674; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Cyclohexylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002602.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002602.txt index 1d05d978e80..65741a71e9c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002602.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002602 -RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-CCXZUQQUSA-N CH$LINK: COMPTOX DTXSID3022877 CH$LINK: ChemOnt CHEMONTID:0000480; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002603.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002603.txt index b05845df81f..0d3f444587f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002603.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002603 -RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-CCXZUQQUSA-N CH$LINK: COMPTOX DTXSID3022877 CH$LINK: ChemOnt CHEMONTID:0000480; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002604.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002604.txt index 4e0cf0aaf3a..614815f7fc5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002604.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002604 -RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-CCXZUQQUSA-N CH$LINK: COMPTOX DTXSID3022877 CH$LINK: ChemOnt CHEMONTID:0000480; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002605.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002605.txt index 1189436b265..daaed6b7581 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002605.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002605 -RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-CCXZUQQUSA-N CH$LINK: COMPTOX DTXSID3022877 CH$LINK: ChemOnt CHEMONTID:0000480; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002606.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002606.txt index 93af4288562..51423a8184d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002606.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002606.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002606 -RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Cytosine arabinoside; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-CCXZUQQUSA-N CH$LINK: COMPTOX DTXSID3022877 CH$LINK: ChemOnt CHEMONTID:0000480; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002607.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002607.txt index 36a1d60911c..e3459416df3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002607.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002607 -RECORD_TITLE: Cysteine S-sulfate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Cysteine S-sulfate; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NOKPBJYHPHHWAN-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20167649 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002608.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002608.txt index 433749735f3..c5316acd42d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002608.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002608 -RECORD_TITLE: Cysteine S-sulfate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Cysteine S-sulfate; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NOKPBJYHPHHWAN-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20167649 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002609.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002609.txt index 771f0e54d4a..08402a18801 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002609.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002609.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002609 -RECORD_TITLE: Cysteine S-sulfate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Cysteine S-sulfate; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NOKPBJYHPHHWAN-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20167649 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002610.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002610.txt index e120f6a096c..10c12d2f6d9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002610.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002610.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002610 -RECORD_TITLE: Cysteine S-sulfate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Cysteine S-sulfate; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NOKPBJYHPHHWAN-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20167649 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002611.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002611.txt index 2b256f56981..d3ca73844a8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002611.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002611.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002611 -RECORD_TITLE: Cysteine S-sulfate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Cysteine S-sulfate; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NOKPBJYHPHHWAN-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20167649 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002612.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002612.txt index e1722538217..a91803eaf0e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002612.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002612.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002612 -RECORD_TITLE: Ciprofloxacin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Ciprofloxacin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MYSWGUAQZAJSOK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022824 CH$LINK: ChemOnt CHEMONTID:0002552; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002613.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002613.txt index 94877794e85..0f2b780fbb7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002613.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002613.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002613 -RECORD_TITLE: Ciprofloxacin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Ciprofloxacin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MYSWGUAQZAJSOK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022824 CH$LINK: ChemOnt CHEMONTID:0002552; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002614.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002614.txt index bdcfe3bf4d2..dad91415abd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002614.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002614.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002614 -RECORD_TITLE: Ciprofloxacin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Ciprofloxacin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MYSWGUAQZAJSOK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022824 CH$LINK: ChemOnt CHEMONTID:0002552; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002615.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002615.txt index da0c5bddf24..9a895c12606 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002615.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002615.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002615 -RECORD_TITLE: Ciprofloxacin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Ciprofloxacin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MYSWGUAQZAJSOK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022824 CH$LINK: ChemOnt CHEMONTID:0002552; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002616.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002616.txt index bf41c719236..39d9cf3da13 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002616.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002616.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002616 -RECORD_TITLE: Ciprofloxacin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Ciprofloxacin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MYSWGUAQZAJSOK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022824 CH$LINK: ChemOnt CHEMONTID:0002552; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002617.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002617.txt index 49eac489d27..4d30cd68cd9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002617.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002617.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002617 -RECORD_TITLE: Carbendazim; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Carbendazim; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY TWFZGCMQGLPBSX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024729 CH$LINK: ChemOnt CHEMONTID:0004711; Organic compounds; Organoheterocyclic compounds; Benzimidazoles; 2-benzimidazolylcarbamic acid esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002618.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002618.txt index 99bc75350bd..7eac7abdc63 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002618.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002618.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002618 -RECORD_TITLE: Carbendazim; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Carbendazim; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY TWFZGCMQGLPBSX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024729 CH$LINK: ChemOnt CHEMONTID:0004711; Organic compounds; Organoheterocyclic compounds; Benzimidazoles; 2-benzimidazolylcarbamic acid esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002619.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002619.txt index f68823f86a1..7619bb40361 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002619.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002619.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002619 -RECORD_TITLE: Carbendazim; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Carbendazim; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY TWFZGCMQGLPBSX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024729 CH$LINK: ChemOnt CHEMONTID:0004711; Organic compounds; Organoheterocyclic compounds; Benzimidazoles; 2-benzimidazolylcarbamic acid esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002620.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002620.txt index 516f48a47d3..096a10e6799 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002620.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002620.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002620 -RECORD_TITLE: Carbendazim; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Carbendazim; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY TWFZGCMQGLPBSX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024729 CH$LINK: ChemOnt CHEMONTID:0004711; Organic compounds; Organoheterocyclic compounds; Benzimidazoles; 2-benzimidazolylcarbamic acid esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002621.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002621.txt index 68d38849365..10fc669bb77 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002621.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002621.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002621 -RECORD_TITLE: Carbendazim; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Carbendazim; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY TWFZGCMQGLPBSX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024729 CH$LINK: ChemOnt CHEMONTID:0004711; Organic compounds; Organoheterocyclic compounds; Benzimidazoles; 2-benzimidazolylcarbamic acid esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002622.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002622.txt index 3d5a20c16db..b8313cb00a1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002622.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002622.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002622 -RECORD_TITLE: Cyprodinil; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Cyprodinil; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HAORKNGNJCEJBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1032359 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002623.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002623.txt index e1ffb51c087..ea0797515b0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002623.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002623.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002623 -RECORD_TITLE: Cyprodinil; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Cyprodinil; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HAORKNGNJCEJBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1032359 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002624.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002624.txt index 6f0089e9a3c..7c70b390fcb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002624.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002624.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002624 -RECORD_TITLE: Cyprodinil; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Cyprodinil; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HAORKNGNJCEJBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1032359 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002625.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002625.txt index 42966a41632..bf49e58c487 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002625.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002625.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002625 -RECORD_TITLE: Cyprodinil; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Cyprodinil; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HAORKNGNJCEJBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1032359 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002626.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002626.txt index d63b35de59b..a9d13840333 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002626.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002626.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002626 -RECORD_TITLE: Cyprodinil; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Cyprodinil; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HAORKNGNJCEJBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1032359 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002627.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002627.txt index 2e3b1553ec3..6e17dececfc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002627.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002627.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002627 -RECORD_TITLE: Clonidine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Clonidine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY GJSURZIOUXUGAL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022846 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002628.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002628.txt index 02f396fa707..e8b45e256f6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002628.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002628.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002628 -RECORD_TITLE: Clonidine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Clonidine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY GJSURZIOUXUGAL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022846 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002629.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002629.txt index 1978493f06d..c7ee8a13cf7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002629.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002629.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002629 -RECORD_TITLE: Clonidine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Clonidine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY GJSURZIOUXUGAL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022846 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002630.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002630.txt index 8d235ea6d88..4998b7ad029 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002630.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002630.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002630 -RECORD_TITLE: Clonidine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Clonidine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY GJSURZIOUXUGAL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022846 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002631.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002631.txt index e5990dbcb40..ab14ddba177 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002631.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002631.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002631 -RECORD_TITLE: Clonidine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Clonidine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY GJSURZIOUXUGAL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022846 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002632.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002632.txt index ca09601c1ae..cf1f58bb0e0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002632.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002632.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002632 -RECORD_TITLE: Cimetidine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Cimetidine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY AQIXAKUUQRKLND-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020329 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002633.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002633.txt index b16922d1126..5f9f2232077 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002633.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002633.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002633 -RECORD_TITLE: Cimetidine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Cimetidine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY AQIXAKUUQRKLND-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020329 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002634.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002634.txt index 52e4b1e5eb2..3f40fe91c9b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002634.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002634.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002634 -RECORD_TITLE: Cimetidine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Cimetidine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY AQIXAKUUQRKLND-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020329 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002635.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002635.txt index 3478d365eb8..cafdac9802b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002635.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002635.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002635 -RECORD_TITLE: Cimetidine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Cimetidine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY AQIXAKUUQRKLND-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020329 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002636.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002636.txt index c7f60a77538..c7e06a635fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002636.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002636.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002636 -RECORD_TITLE: Cimetidine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Cimetidine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY AQIXAKUUQRKLND-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020329 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002637.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002637.txt index 108394b84bf..c91bceb843a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002637.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002637.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002637 -RECORD_TITLE: gamma-Butyrobetaine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: gamma-Butyrobetaine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JHPNVNIEXXLNTR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00961102 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002638.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002638.txt index f94916bf22d..98f713706fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002638.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002638.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002638 -RECORD_TITLE: gamma-Butyrobetaine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: gamma-Butyrobetaine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JHPNVNIEXXLNTR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00961102 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002639.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002639.txt index 62d0877afc8..3a8bcf19586 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002639.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002639.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002639 -RECORD_TITLE: gamma-Butyrobetaine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: gamma-Butyrobetaine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JHPNVNIEXXLNTR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00961102 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002640.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002640.txt index 99e3549ffaf..325992dde1e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002640.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002640.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002640 -RECORD_TITLE: gamma-Butyrobetaine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: gamma-Butyrobetaine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JHPNVNIEXXLNTR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00961102 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002641.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002641.txt index 079e5bf616f..50450068a47 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002641.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002641.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002641 -RECORD_TITLE: gamma-Butyrobetaine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: gamma-Butyrobetaine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JHPNVNIEXXLNTR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00961102 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002642.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002642.txt index 55e58635173..3285be7657c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002642.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002642.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002642 -RECORD_TITLE: 2,3-Diphosphoglycerate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 2,3-Diphosphoglycerate; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:186004 CH$LINK: INCHIKEY XOHUEYCVLUUEJJ-UWTATZPHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002643.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002643.txt index d1b2ef052cd..16d457f631f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002643.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002643.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002643 -RECORD_TITLE: 2,3-Diphosphoglycerate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 2,3-Diphosphoglycerate; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:186004 CH$LINK: INCHIKEY XOHUEYCVLUUEJJ-UWTATZPHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002644.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002644.txt index 0dc37d4aca0..69cc3b3b846 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002644.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002644.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002644 -RECORD_TITLE: 2,3-Diphosphoglycerate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 2,3-Diphosphoglycerate; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:186004 CH$LINK: INCHIKEY XOHUEYCVLUUEJJ-UWTATZPHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002645.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002645.txt index e4b376a8279..dd3e178b2ec 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002645.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002645.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002645 -RECORD_TITLE: 2,3-Diphosphoglycerate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 2,3-Diphosphoglycerate; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:186004 CH$LINK: INCHIKEY XOHUEYCVLUUEJJ-UWTATZPHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002646.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002646.txt index ec2d40ba106..2842f8f2749 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002646.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002646.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002646 -RECORD_TITLE: 2,3-Diphosphoglycerate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 2,3-Diphosphoglycerate; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:186004 CH$LINK: INCHIKEY XOHUEYCVLUUEJJ-UWTATZPHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002647.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002647.txt index ea07d1dc8f4..c5227018c41 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002647.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002647.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002647 -RECORD_TITLE: N,N-Dimethylaniline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: N,N-Dimethylaniline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JLTDJTHDQAWBAV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020507 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002648.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002648.txt index 99a412772ec..0c8ba24fc26 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002648.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002648.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002648 -RECORD_TITLE: N,N-Dimethylaniline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: N,N-Dimethylaniline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JLTDJTHDQAWBAV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020507 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002649.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002649.txt index 9d4ecc4b968..a08a62247a2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002649.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002649.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002649 -RECORD_TITLE: N,N-Dimethylaniline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: N,N-Dimethylaniline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JLTDJTHDQAWBAV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020507 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002650.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002650.txt index f7d88841bc3..ce3030da130 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002650.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002650.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002650 -RECORD_TITLE: N,N-Dimethylaniline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: N,N-Dimethylaniline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JLTDJTHDQAWBAV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020507 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002651.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002651.txt index 52b52fd8afd..b318aae55c1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002651.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002651.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002651 -RECORD_TITLE: N,N-Dimethylaniline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: N,N-Dimethylaniline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JLTDJTHDQAWBAV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020507 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002652.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002652.txt index de9f3103784..4f109dffe5c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002652.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002652.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002652 -RECORD_TITLE: Diethanolamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Diethanolamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ZBCBWPMODOFKDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021932 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002653.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002653.txt index 78e509de8d1..ed21b00aa44 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002653.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002653.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002653 -RECORD_TITLE: Diethanolamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Diethanolamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ZBCBWPMODOFKDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021932 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002654.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002654.txt index f3a60113140..856f342761b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002654.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002654.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002654 -RECORD_TITLE: Diethanolamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Diethanolamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ZBCBWPMODOFKDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021932 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002655.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002655.txt index 67778be8bc2..7c88ff26633 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002655.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002655.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002655 -RECORD_TITLE: Diethanolamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Diethanolamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ZBCBWPMODOFKDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021932 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002656.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002656.txt index 80fb39c8ba0..adc27965379 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002656.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002656.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002656 -RECORD_TITLE: Diethanolamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Diethanolamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ZBCBWPMODOFKDW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021932 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002657.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002657.txt index 7bd2acf6b40..8161565bcef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002657.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002657.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002657 -RECORD_TITLE: 1,3-Diaminopropane; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 1,3-Diaminopropane; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY XFNJVJPLKCPIBV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021906 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002658.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002658.txt index eea573ee2df..c8a790257e2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002658.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002658.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002658 -RECORD_TITLE: 1,3-Diaminopropane; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 1,3-Diaminopropane; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY XFNJVJPLKCPIBV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021906 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002659.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002659.txt index 38abb97d482..608a7cd1ebb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002659.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002659.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002659 -RECORD_TITLE: 1,3-Diaminopropane; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 1,3-Diaminopropane; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY XFNJVJPLKCPIBV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021906 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002660.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002660.txt index 229976510db..7fd20a675de 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002660.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002660.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002660 -RECORD_TITLE: 1,3-Diaminopropane; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 1,3-Diaminopropane; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY XFNJVJPLKCPIBV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021906 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002661.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002661.txt index 6db5d4b186f..4780603f6f4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002661.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002661.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002661 -RECORD_TITLE: 1,3-Diaminopropane; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 1,3-Diaminopropane; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY XFNJVJPLKCPIBV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021906 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002662.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002662.txt index 9b8045e2d70..d4c41612998 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002662.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002662.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002662 -RECORD_TITLE: N,N-Dimethylglycine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: N,N-Dimethylglycine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FFDGPVCHZBVARC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6074336 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002663.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002663.txt index f8381ebf303..5867b4ed2c9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002663.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002663.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002663 -RECORD_TITLE: N,N-Dimethylglycine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: N,N-Dimethylglycine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FFDGPVCHZBVARC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6074336 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002664.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002664.txt index c8d9b6b67d3..b2b299cb789 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002664.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002664.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002664 -RECORD_TITLE: N,N-Dimethylglycine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: N,N-Dimethylglycine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FFDGPVCHZBVARC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6074336 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002665.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002665.txt index 3fcedf9af35..7be4b8ed40e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002665.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002665.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002665 -RECORD_TITLE: N,N-Dimethylglycine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: N,N-Dimethylglycine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FFDGPVCHZBVARC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6074336 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002666.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002666.txt index 5f3dfe73f1f..154ad4e5448 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002666.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002666.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002666 -RECORD_TITLE: N,N-Dimethylglycine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: N,N-Dimethylglycine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FFDGPVCHZBVARC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6074336 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002667.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002667.txt index 1de03e8d5fe..2a9ddad9428 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002667.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002667.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002667 -RECORD_TITLE: DL-2,3-Diaminopropionic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: DL-2,3-Diaminopropionic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:364 CH$LINK: INCHIKEY PECYZEOJVXMISF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002668.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002668.txt index 5f64ba323ad..f461a074425 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002668.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002668.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002668 -RECORD_TITLE: DL-2,3-Diaminopropionic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: DL-2,3-Diaminopropionic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:364 CH$LINK: INCHIKEY PECYZEOJVXMISF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002669.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002669.txt index b3cee9d8d07..2e5b1935f7a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002669.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002669.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002669 -RECORD_TITLE: DL-2,3-Diaminopropionic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: DL-2,3-Diaminopropionic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:364 CH$LINK: INCHIKEY PECYZEOJVXMISF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002670.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002670.txt index f246aa38db1..6dbbfdfb69e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002670.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002670.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002670 -RECORD_TITLE: DL-2,3-Diaminopropionic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: DL-2,3-Diaminopropionic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:364 CH$LINK: INCHIKEY PECYZEOJVXMISF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002671.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002671.txt index 8ca8d0a9998..767520ec626 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002671.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002671.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002671 -RECORD_TITLE: DL-2,3-Diaminopropionic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: DL-2,3-Diaminopropionic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:364 CH$LINK: INCHIKEY PECYZEOJVXMISF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002672.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002672.txt index 7db5639d4b6..db85adf6fae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002672.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002672.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002672 -RECORD_TITLE: 2,4-Diaminobutyric acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 2,4-Diaminobutyric acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:134490 CH$LINK: INCHIKEY OGNSCSPNOLGXSM-VKHMYHEASA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002673.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002673.txt index 532a3257907..8093c14e3b1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002673.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002673.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002673 -RECORD_TITLE: 2,4-Diaminobutyric acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 2,4-Diaminobutyric acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:134490 CH$LINK: INCHIKEY OGNSCSPNOLGXSM-VKHMYHEASA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002674.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002674.txt index 81ab063e59e..c82dfce7d99 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002674.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002674.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002674 -RECORD_TITLE: 2,4-Diaminobutyric acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 2,4-Diaminobutyric acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:134490 CH$LINK: INCHIKEY OGNSCSPNOLGXSM-VKHMYHEASA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002675.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002675.txt index aa2194a883c..8a622b18518 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002675.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002675.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002675 -RECORD_TITLE: 2,4-Diaminobutyric acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 2,4-Diaminobutyric acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:134490 CH$LINK: INCHIKEY OGNSCSPNOLGXSM-VKHMYHEASA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002676.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002676.txt index 4335e863bdd..57b3608aefe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002676.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002676.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002676 -RECORD_TITLE: 2,4-Diaminobutyric acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 2,4-Diaminobutyric acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:134490 CH$LINK: INCHIKEY OGNSCSPNOLGXSM-VKHMYHEASA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002677.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002677.txt index 4e0a1ffd926..410692bd76b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002677.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002677.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002677 -RECORD_TITLE: 2,6-Diethylaniline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 2,6-Diethylaniline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY FOYHNROGBXVLLX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6027218 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002678.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002678.txt index 86cdc95252f..a4492dd398a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002678.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002678.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002678 -RECORD_TITLE: 2,6-Diethylaniline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 2,6-Diethylaniline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY FOYHNROGBXVLLX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6027218 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002679.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002679.txt index 77c8d5181ae..692ce858dac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002679.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002679.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002679 -RECORD_TITLE: 2,6-Diethylaniline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 2,6-Diethylaniline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY FOYHNROGBXVLLX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6027218 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002680.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002680.txt index 748def7044f..03064589a16 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002680.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002680.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002680 -RECORD_TITLE: 2,6-Diethylaniline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 2,6-Diethylaniline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY FOYHNROGBXVLLX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6027218 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002681.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002681.txt index 15a4ad2ad17..d117355a64e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002681.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002681.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002681 -RECORD_TITLE: 2,6-Diethylaniline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 2,6-Diethylaniline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY FOYHNROGBXVLLX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6027218 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002682.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002682.txt index 151c89d7a6a..d86ade343e8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002682.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002682.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002682 -RECORD_TITLE: Diphenylamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Diphenylamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DMBHHRLKUKUOEG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021975 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002683.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002683.txt index 9cf59f9fdaf..aa995162c9e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002683.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002683.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002683 -RECORD_TITLE: Diphenylamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Diphenylamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DMBHHRLKUKUOEG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021975 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002684.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002684.txt index a9ffc24d80e..a4ee51dbbf1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002684.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002684.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002684 -RECORD_TITLE: Diphenylamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Diphenylamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DMBHHRLKUKUOEG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021975 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002685.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002685.txt index f002fc89051..19f31f3f4c9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002685.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002685.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002685 -RECORD_TITLE: Diphenylamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Diphenylamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DMBHHRLKUKUOEG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021975 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002686.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002686.txt index 23376ec1d7b..cec06687b25 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002686.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002686.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002686 -RECORD_TITLE: Diphenylamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Diphenylamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DMBHHRLKUKUOEG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021975 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002687.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002687.txt index 052c07e08fe..7ed30f3166c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002687.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002687.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002687 -RECORD_TITLE: Dopamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Dopamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002688.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002688.txt index e608e89c714..af589b96a2a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002688.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002688.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002688 -RECORD_TITLE: Dopamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Dopamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002689.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002689.txt index 3c2885736c7..2d6f960121d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002689.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002689.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002689 -RECORD_TITLE: Dopamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Dopamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002690.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002690.txt index 3685be60c6b..431b39ebba8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002690.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002690.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002690 -RECORD_TITLE: Dopamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Dopamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002691.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002691.txt index 8df113c4ac3..45109f8c80c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002691.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002691.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002691 -RECORD_TITLE: Dopamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Dopamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002692.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002692.txt index 72151f5fb4c..3ad7ba777a4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002692.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002692.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002692 -RECORD_TITLE: Diazoxide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Diazoxide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GDLBFKVLRPITMI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7022914 CH$LINK: ChemOnt CHEMONTID:0000308; Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002693.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002693.txt index 5a8b9ed1a20..ad8876379bc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002693.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002693.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002693 -RECORD_TITLE: Diazoxide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Diazoxide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GDLBFKVLRPITMI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7022914 CH$LINK: ChemOnt CHEMONTID:0000308; Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002694.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002694.txt index da93399ee61..d74b2ebacf9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002694.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002694.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002694 -RECORD_TITLE: Diazoxide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Diazoxide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GDLBFKVLRPITMI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7022914 CH$LINK: ChemOnt CHEMONTID:0000308; Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002695.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002695.txt index bfb7ead6a3d..f1cf90c5e9b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002695.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002695.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002695 -RECORD_TITLE: Diazoxide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Diazoxide; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GDLBFKVLRPITMI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7022914 CH$LINK: ChemOnt CHEMONTID:0000308; Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002696.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002696.txt index ae95ab48f14..f2b438bb5a7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002696.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002696.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002696 -RECORD_TITLE: Diazoxide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Diazoxide; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GDLBFKVLRPITMI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7022914 CH$LINK: ChemOnt CHEMONTID:0000308; Organic compounds; Organoheterocyclic compounds; Thiadiazines; Benzothiadiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002697.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002697.txt index 11623a75518..65060c1cf77 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002697.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002697.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002697 -RECORD_TITLE: 2'-Deoxycytidine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 2'-Deoxycytidine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-SHYZEUOFSA-N CH$LINK: COMPTOX DTXSID70883620 CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002698.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002698.txt index 8d636ea9360..b4061595c85 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002698.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002698.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002698 -RECORD_TITLE: 2'-Deoxycytidine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 2'-Deoxycytidine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-SHYZEUOFSA-N CH$LINK: COMPTOX DTXSID70883620 CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002699.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002699.txt index 710435cf96b..2e13c92fda9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002699.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002699.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002699 -RECORD_TITLE: 2'-Deoxycytidine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 2'-Deoxycytidine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-SHYZEUOFSA-N CH$LINK: COMPTOX DTXSID70883620 CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002700.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002700.txt index f9bb68bb2ee..dfc16638ba3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002700.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002700.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002700 -RECORD_TITLE: 2'-Deoxycytidine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 2'-Deoxycytidine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-SHYZEUOFSA-N CH$LINK: COMPTOX DTXSID70883620 CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002701.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002701.txt index 96831cf2532..d51e030e821 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002701.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002701 -RECORD_TITLE: 3,5-Diiodo-tyrosine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 3,5-Diiodo-tyrosine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY NYPYHUZRZVSYKL-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID0048680 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002702.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002702.txt index c46e1597766..512952a7eb9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002702.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002702 -RECORD_TITLE: 3,5-Diiodo-tyrosine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 3,5-Diiodo-tyrosine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY NYPYHUZRZVSYKL-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID0048680 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002703.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002703.txt index 49d5976d044..f44bf56486c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002703.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002703 -RECORD_TITLE: 3,5-Diiodo-tyrosine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 3,5-Diiodo-tyrosine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY NYPYHUZRZVSYKL-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID0048680 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002704.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002704.txt index 6146e27fab9..24b87e9d89c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002704.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002704 -RECORD_TITLE: 3,5-Diiodo-tyrosine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 3,5-Diiodo-tyrosine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY NYPYHUZRZVSYKL-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID0048680 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002705.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002705.txt index 1a99b40279c..6341cec236c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002705.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002705 -RECORD_TITLE: 3,5-Diiodo-tyrosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 3,5-Diiodo-tyrosine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY NYPYHUZRZVSYKL-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID0048680 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002706.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002706.txt index 9510c90ac5e..4477318668a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002706.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002706.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002706 -RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YKBGVTZYEHREMT-KVQBGUIXSA-N CH$LINK: COMPTOX DTXSID30883626 CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002707.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002707.txt index 2a6723edd39..7bfe03949e9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002707.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002707 -RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YKBGVTZYEHREMT-KVQBGUIXSA-N CH$LINK: COMPTOX DTXSID30883626 CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002708.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002708.txt index b7ccbc956b6..a9d14aca6dc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002708.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002708 -RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YKBGVTZYEHREMT-KVQBGUIXSA-N CH$LINK: COMPTOX DTXSID30883626 CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002709.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002709.txt index 9351253f1c3..bae71558b22 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002709.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002709.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002709 -RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YKBGVTZYEHREMT-KVQBGUIXSA-N CH$LINK: COMPTOX DTXSID30883626 CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002710.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002710.txt index 3426781760b..68c1da866f0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002710.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002710.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002710 -RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 2'-Deoxyguanosine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YKBGVTZYEHREMT-KVQBGUIXSA-N CH$LINK: COMPTOX DTXSID30883626 CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002711.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002711.txt index fc0b1372ab5..c917b1a391a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002711.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002711.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002711 -RECORD_TITLE: 2-Deoxystreptamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 2-Deoxystreptamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:203443 CH$LINK: INCHIKEY DTFAJAKTSMLKAT-JDCCYXBGSA-N CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002712.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002712.txt index 34821f169d1..3228fc66b77 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002712.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002712.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002712 -RECORD_TITLE: 2-Deoxystreptamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 2-Deoxystreptamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:203443 CH$LINK: INCHIKEY DTFAJAKTSMLKAT-JDCCYXBGSA-N CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002713.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002713.txt index 6a6ae1bd978..a018de37f69 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002713.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002713.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002713 -RECORD_TITLE: 2-Deoxystreptamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 2-Deoxystreptamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:203443 CH$LINK: INCHIKEY DTFAJAKTSMLKAT-JDCCYXBGSA-N CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002714.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002714.txt index b6178cd8fa4..fb3474edfdb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002714.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002714.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002714 -RECORD_TITLE: 2-Deoxystreptamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 2-Deoxystreptamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:203443 CH$LINK: INCHIKEY DTFAJAKTSMLKAT-JDCCYXBGSA-N CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002715.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002715.txt index e61d4294216..950fa3247fd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002715.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002715.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002715 -RECORD_TITLE: 2-Deoxystreptamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 2-Deoxystreptamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:203443 CH$LINK: INCHIKEY DTFAJAKTSMLKAT-JDCCYXBGSA-N CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002716.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002716.txt index ffe197e7f66..b9423b44e07 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002716.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002716.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002716 -RECORD_TITLE: Doxorubicin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Doxorubicin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:31703 CH$LINK: INCHIKEY AOJJSUZBOXZQNB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002106; Organic compounds; Phenylpropanoids and polyketides; Anthracyclines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002717.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002717.txt index e834f96003e..0c7eb216338 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002717.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002717.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002717 -RECORD_TITLE: Doxorubicin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Doxorubicin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:31703 CH$LINK: INCHIKEY AOJJSUZBOXZQNB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002106; Organic compounds; Phenylpropanoids and polyketides; Anthracyclines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002718.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002718.txt index 444d22ceb96..43b9f8e7d98 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002718.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002718.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002718 -RECORD_TITLE: Doxorubicin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Doxorubicin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:31703 CH$LINK: INCHIKEY AOJJSUZBOXZQNB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002106; Organic compounds; Phenylpropanoids and polyketides; Anthracyclines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002719.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002719.txt index 1988f684de9..dc18204b19c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002719.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002719.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002719 -RECORD_TITLE: Doxorubicin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Doxorubicin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:31703 CH$LINK: INCHIKEY AOJJSUZBOXZQNB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002106; Organic compounds; Phenylpropanoids and polyketides; Anthracyclines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002720.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002720.txt index 4851b5a6049..ebd2011d364 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002720.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002720.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002720 -RECORD_TITLE: Doxorubicin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Doxorubicin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:31703 CH$LINK: INCHIKEY AOJJSUZBOXZQNB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002106; Organic compounds; Phenylpropanoids and polyketides; Anthracyclines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002721.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002721.txt index 2eac116df1c..0a971878eed 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002721.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002721.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002721 -RECORD_TITLE: 5-Methylthioadenosine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 5-Methylthioadenosine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY WUUGFSXJNOTRMR-IOSLPCCCSA-N CH$LINK: COMPTOX DTXSID20179308 CH$LINK: ChemOnt CHEMONTID:0004503; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002722.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002722.txt index 960f34da8c6..3c7c782cc05 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002722.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002722.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002722 -RECORD_TITLE: 5-Methylthioadenosine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 5-Methylthioadenosine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY WUUGFSXJNOTRMR-IOSLPCCCSA-N CH$LINK: COMPTOX DTXSID20179308 CH$LINK: ChemOnt CHEMONTID:0004503; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002723.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002723.txt index 2f876a1f56b..c1595c163a4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002723.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002723.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002723 -RECORD_TITLE: 5-Methylthioadenosine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 5-Methylthioadenosine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY WUUGFSXJNOTRMR-IOSLPCCCSA-N CH$LINK: COMPTOX DTXSID20179308 CH$LINK: ChemOnt CHEMONTID:0004503; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002724.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002724.txt index 219d5563e46..022736d2fe9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002724.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002724.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002724 -RECORD_TITLE: 5-Methylthioadenosine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 5-Methylthioadenosine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY WUUGFSXJNOTRMR-IOSLPCCCSA-N CH$LINK: COMPTOX DTXSID20179308 CH$LINK: ChemOnt CHEMONTID:0004503; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002725.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002725.txt index c0e82b15d5f..59c9e0ab0d1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002725.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002725.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002725 -RECORD_TITLE: 5-Methylthioadenosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 5-Methylthioadenosine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY WUUGFSXJNOTRMR-IOSLPCCCSA-N CH$LINK: COMPTOX DTXSID20179308 CH$LINK: ChemOnt CHEMONTID:0004503; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002726.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002726.txt index d5f51cc9c16..3cd4915ded7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002726.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002726.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002726 -RECORD_TITLE: 2'-Deoxyadenosine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 2'-Deoxyadenosine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY OLXZPDWKRNYJJZ-RRKCRQDMSA-N CH$LINK: COMPTOX DTXSID10883624 CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002727.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002727.txt index 2aad31b36ea..2002c114a43 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002727.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002727.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002727 -RECORD_TITLE: 2'-Deoxyadenosine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 2'-Deoxyadenosine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY OLXZPDWKRNYJJZ-RRKCRQDMSA-N CH$LINK: COMPTOX DTXSID10883624 CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002728.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002728.txt index 366f66eaddd..071bd13617e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002728.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002728.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002728 -RECORD_TITLE: 2'-Deoxyadenosine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 2'-Deoxyadenosine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY OLXZPDWKRNYJJZ-RRKCRQDMSA-N CH$LINK: COMPTOX DTXSID10883624 CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002729.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002729.txt index b6336398d5a..1ce4f10d445 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002729.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002729.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002729 -RECORD_TITLE: 2'-Deoxyadenosine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 2'-Deoxyadenosine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY OLXZPDWKRNYJJZ-RRKCRQDMSA-N CH$LINK: COMPTOX DTXSID10883624 CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002730.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002730.txt index 3b27702ed76..b1db04bd16d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002730.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002730.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002730 -RECORD_TITLE: 2'-Deoxyadenosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 2'-Deoxyadenosine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY OLXZPDWKRNYJJZ-RRKCRQDMSA-N CH$LINK: COMPTOX DTXSID10883624 CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002731.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002731.txt index e52b9429fb0..ff87370af8b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002731.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002731.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002731 -RECORD_TITLE: Desthiobiotin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Desthiobiotin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:643 CH$LINK: INCHIKEY AUTOLBMXDDTRRT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002732.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002732.txt index 510eb9896d9..185c0fea848 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002732.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002732.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002732 -RECORD_TITLE: Desthiobiotin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Desthiobiotin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY AUTOLBMXDDTRRT-JGVFFNPUSA-N CH$LINK: COMPTOX DTXSID50876136 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002733.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002733.txt index 86da6a3e4bf..f093b4173d9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002733.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002733.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002733 -RECORD_TITLE: Desthiobiotin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Desthiobiotin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY AUTOLBMXDDTRRT-JGVFFNPUSA-N CH$LINK: COMPTOX DTXSID50876136 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002734.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002734.txt index 6205cbec02e..6fbd91c8095 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002734.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002734.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002734 -RECORD_TITLE: Desthiobiotin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Desthiobiotin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY AUTOLBMXDDTRRT-JGVFFNPUSA-N CH$LINK: COMPTOX DTXSID50876136 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002735.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002735.txt index 24816172ce1..28228547a60 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002735.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002735.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002735 -RECORD_TITLE: Desthiobiotin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Desthiobiotin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY AUTOLBMXDDTRRT-JGVFFNPUSA-N CH$LINK: COMPTOX DTXSID50876136 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002736.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002736.txt index ecb08f7d186..8df4abb1a2e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002736.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002736.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002736 -RECORD_TITLE: D-erythro-Dihydrosphingosine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: D-erythro-Dihydrosphingosine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:91486 CH$LINK: INCHIKEY OTKJDMGTUTTYMP-ZWKOTPCHSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002737.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002737.txt index 4e35898ff0a..f88079b61f2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002737.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002737.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002737 -RECORD_TITLE: D-erythro-Dihydrosphingosine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: D-erythro-Dihydrosphingosine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:91486 CH$LINK: INCHIKEY OTKJDMGTUTTYMP-ZWKOTPCHSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002738.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002738.txt index 7d1b34c7f46..1caffb9e3dd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002738.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002738.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002738 -RECORD_TITLE: D-erythro-Dihydrosphingosine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: D-erythro-Dihydrosphingosine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:91486 CH$LINK: INCHIKEY OTKJDMGTUTTYMP-ZWKOTPCHSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002739.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002739.txt index 3f7131a1236..1483e9df634 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002739.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002739.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002739 -RECORD_TITLE: D-erythro-Dihydrosphingosine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: D-erythro-Dihydrosphingosine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:91486 CH$LINK: INCHIKEY OTKJDMGTUTTYMP-ZWKOTPCHSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002740.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002740.txt index 559b69a8b61..6b3df28c566 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002740.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002740.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002740 -RECORD_TITLE: D-erythro-Dihydrosphingosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: D-erythro-Dihydrosphingosine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:91486 CH$LINK: INCHIKEY OTKJDMGTUTTYMP-ZWKOTPCHSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002741.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002741.txt index aaf2ad07282..b3288f916ad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002741.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002741.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002741 -RECORD_TITLE: 5'-Deoxyadenosine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 5'-Deoxyadenosine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439182 CH$LINK: INCHIKEY XGYIMTFOTBMPFP-KQYNXXCUSA-N CH$LINK: ChemOnt CHEMONTID:0004502; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002742.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002742.txt index 60f0b200513..7fb89af9b4a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002742.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002742.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002742 -RECORD_TITLE: 5'-Deoxyadenosine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 5'-Deoxyadenosine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439182 CH$LINK: INCHIKEY XGYIMTFOTBMPFP-KQYNXXCUSA-N CH$LINK: ChemOnt CHEMONTID:0004502; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002743.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002743.txt index dc320ff62ee..a40c979f84b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002743.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002743.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002743 -RECORD_TITLE: 5'-Deoxyadenosine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 5'-Deoxyadenosine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439182 CH$LINK: INCHIKEY XGYIMTFOTBMPFP-KQYNXXCUSA-N CH$LINK: ChemOnt CHEMONTID:0004502; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002744.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002744.txt index 0a63456f29f..9f050795645 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002744.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002744.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002744 -RECORD_TITLE: 5'-Deoxyadenosine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 5'-Deoxyadenosine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439182 CH$LINK: INCHIKEY XGYIMTFOTBMPFP-KQYNXXCUSA-N CH$LINK: ChemOnt CHEMONTID:0004502; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002745.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002745.txt index fd9ce49327a..b7740d26571 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002745.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002745.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002745 -RECORD_TITLE: 5'-Deoxyadenosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 5'-Deoxyadenosine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439182 CH$LINK: INCHIKEY XGYIMTFOTBMPFP-KQYNXXCUSA-N CH$LINK: ChemOnt CHEMONTID:0004502; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002746.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002746.txt index 4be4fd37b02..66b53ff947c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002746.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002746.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002746 -RECORD_TITLE: (2R,3S)-2,3-Dimethylmalate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: (2R,3S)-2,3-Dimethylmalate; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:440075 CH$LINK: INCHIKEY WTIIULQJLZEHGZ-AWFVSMACSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002747.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002747.txt index 4c8df980f29..234dcabe1a9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002747.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002747.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002747 -RECORD_TITLE: (2R,3S)-2,3-Dimethylmalate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: (2R,3S)-2,3-Dimethylmalate; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440075 CH$LINK: INCHIKEY WTIIULQJLZEHGZ-AWFVSMACSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002748.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002748.txt index 63b56aab27c..072e4c041c7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002748.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002748.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002748 -RECORD_TITLE: (2R,3S)-2,3-Dimethylmalate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: (2R,3S)-2,3-Dimethylmalate; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440075 CH$LINK: INCHIKEY WTIIULQJLZEHGZ-AWFVSMACSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002749.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002749.txt index a6f7066d4f1..c39d02c46c7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002749.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002749.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002749 -RECORD_TITLE: (2R,3S)-2,3-Dimethylmalate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: (2R,3S)-2,3-Dimethylmalate; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440075 CH$LINK: INCHIKEY WTIIULQJLZEHGZ-AWFVSMACSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002750.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002750.txt index f51ca72616b..d0dbf4f1a5a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002750.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002750.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002750 -RECORD_TITLE: (2R,3S)-2,3-Dimethylmalate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: (2R,3S)-2,3-Dimethylmalate; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:440075 CH$LINK: INCHIKEY WTIIULQJLZEHGZ-AWFVSMACSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002751.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002751.txt index 7609fcfc802..1d8fd5f82c1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002751.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002751.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002751 -RECORD_TITLE: 5,6-Dimethylbenzimidazol; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 5,6-Dimethylbenzimidazol; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY LJUQGASMPRMWIW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70870631 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002752.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002752.txt index 0356e8e21e7..95c4d7a675b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002752.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002752.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002752 -RECORD_TITLE: 5,6-Dimethylbenzimidazol; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 5,6-Dimethylbenzimidazol; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY LJUQGASMPRMWIW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70870631 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002753.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002753.txt index d0561a59ee5..35f2df0b075 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002753.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002753.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002753 -RECORD_TITLE: 5,6-Dimethylbenzimidazol; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 5,6-Dimethylbenzimidazol; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY LJUQGASMPRMWIW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70870631 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002754.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002754.txt index 4de14a432d3..9a062f96696 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002754.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002754.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002754 -RECORD_TITLE: 5,6-Dimethylbenzimidazol; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 5,6-Dimethylbenzimidazol; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY LJUQGASMPRMWIW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70870631 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002755.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002755.txt index b8f9fdaefcd..1d940bb3fe4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002755.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002755.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002755 -RECORD_TITLE: 5,6-Dimethylbenzimidazol; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 5,6-Dimethylbenzimidazol; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY LJUQGASMPRMWIW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70870631 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002756.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002756.txt index 6252c1f9901..679e7eb40d9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002756.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002756.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002756 -RECORD_TITLE: Dimethylamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Dimethylamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ROSDSFDQCJNGOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024057 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002757.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002757.txt index 1757088d31e..c53bfa3b458 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002757.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002757.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002757 -RECORD_TITLE: Dimethylamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Dimethylamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ROSDSFDQCJNGOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024057 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002758.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002758.txt index 52b046bcb4e..6f949c08797 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002758.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002758.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002758 -RECORD_TITLE: Dimethylamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Dimethylamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ROSDSFDQCJNGOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024057 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002759.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002759.txt index c2095863806..e0cda31a514 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002759.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002759.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002759 -RECORD_TITLE: Dimethylamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Dimethylamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ROSDSFDQCJNGOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024057 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002760.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002760.txt index deb16c6973e..58189f90c8d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002760.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002760.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002760 -RECORD_TITLE: Dimethylamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Dimethylamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ROSDSFDQCJNGOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024057 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002761.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002761.txt index c732561573a..54ba2961f23 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002761.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002761.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002761 -RECORD_TITLE: Daunorubicin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Daunorubicin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:30323 CH$LINK: INCHIKEY STQGQHZAVUOBTE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002106; Organic compounds; Phenylpropanoids and polyketides; Anthracyclines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002762.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002762.txt index eed711f0311..f78d713e36b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002762.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002762.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002762 -RECORD_TITLE: Daunorubicin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Daunorubicin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:30323 CH$LINK: INCHIKEY STQGQHZAVUOBTE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002106; Organic compounds; Phenylpropanoids and polyketides; Anthracyclines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002763.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002763.txt index 9bf0a35ada7..30fb86b5f71 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002763.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002763.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002763 -RECORD_TITLE: Daunorubicin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Daunorubicin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:30323 CH$LINK: INCHIKEY STQGQHZAVUOBTE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002106; Organic compounds; Phenylpropanoids and polyketides; Anthracyclines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002764.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002764.txt index 19e6f8ed182..73b021bc568 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002764.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002764.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002764 -RECORD_TITLE: Daunorubicin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Daunorubicin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:30323 CH$LINK: INCHIKEY STQGQHZAVUOBTE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002106; Organic compounds; Phenylpropanoids and polyketides; Anthracyclines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002765.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002765.txt index d47c265794c..10c69809ad5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002765.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002765.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002765 -RECORD_TITLE: Daunorubicin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Daunorubicin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:30323 CH$LINK: INCHIKEY STQGQHZAVUOBTE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002106; Organic compounds; Phenylpropanoids and polyketides; Anthracyclines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002766.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002766.txt index 8dc0e1df413..9add6a83694 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002766.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002766.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002766 -RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ASXBYYWOLISCLQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID0022937 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002767.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002767.txt index 025a7019b2b..06c096744aa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002767.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002767.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002767 -RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ASXBYYWOLISCLQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID0022937 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002768.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002768.txt index 2c409d5d6fa..5506b988eea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002768.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002768.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002768 -RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ASXBYYWOLISCLQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID0022937 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002769.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002769.txt index dc63da3b2b3..a44ec598d51 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002769.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002769.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002769 -RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ASXBYYWOLISCLQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID0022937 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002770.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002770.txt index c1502ea5cca..92743c2d56d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002770.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002770.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002770 -RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ASXBYYWOLISCLQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID0022937 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002771.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002771.txt index 94b3f5d611f..88b68bda98a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002771.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002771.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002771 -RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQ; MS2; CE:10 V; [M+2H]++ +RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQQ; MS2; CE:10 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ASXBYYWOLISCLQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID0022937 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002772.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002772.txt index a8b4aa4b5b8..43cc9bb2e5f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002772.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002772.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002772 -RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQ; MS2; CE:20 V; [M+2H]++ +RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQQ; MS2; CE:20 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ASXBYYWOLISCLQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID0022937 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002773.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002773.txt index beee2040bc4..dd8d9e43b72 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002773.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002773.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002773 -RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQ; MS2; CE:30 V; [M+2H]++ +RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQQ; MS2; CE:30 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ASXBYYWOLISCLQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID0022937 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002774.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002774.txt index 6b33f44585a..dec661eb3cc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002774.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002774.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002774 -RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQ; MS2; CE:40 V; [M+2H]++ +RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQQ; MS2; CE:40 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ASXBYYWOLISCLQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID0022937 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002775.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002775.txt index 63bf6470873..3562965f80f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002775.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002775.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002775 -RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQ; MS2; CE:50 V; [M+2H]++ +RECORD_TITLE: Dihydrostreptomycin; LC-ESI-QQQ; MS2; CE:50 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ASXBYYWOLISCLQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID0022937 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002776.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002776.txt index aae8663bbcc..674b80ba49e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002776.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002776.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002776 -RECORD_TITLE: Diethyl-2-phenylacetamide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Diethyl-2-phenylacetamide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UXDAWVUDZLBBAM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00179048 CH$LINK: ChemOnt CHEMONTID:0002363; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002777.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002777.txt index a90d62303ae..b2d19a0a17c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002777.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002777.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002777 -RECORD_TITLE: Diethyl-2-phenylacetamide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Diethyl-2-phenylacetamide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UXDAWVUDZLBBAM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00179048 CH$LINK: ChemOnt CHEMONTID:0002363; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002778.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002778.txt index 2183fc2eaa8..c69faa4806c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002778.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002778.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002778 -RECORD_TITLE: Diethyl-2-phenylacetamide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Diethyl-2-phenylacetamide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UXDAWVUDZLBBAM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00179048 CH$LINK: ChemOnt CHEMONTID:0002363; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002779.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002779.txt index 3dea8856c15..6b0c43abcbb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002779.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002779.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002779 -RECORD_TITLE: Diethyl-2-phenylacetamide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Diethyl-2-phenylacetamide; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UXDAWVUDZLBBAM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00179048 CH$LINK: ChemOnt CHEMONTID:0002363; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002780.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002780.txt index e5b66419b77..8dc3a38ef70 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002780.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002780.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002780 -RECORD_TITLE: Diethyl-2-phenylacetamide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Diethyl-2-phenylacetamide; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UXDAWVUDZLBBAM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00179048 CH$LINK: ChemOnt CHEMONTID:0002363; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002781.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002781.txt index 29944b0a3c7..2286e53adea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002781.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002781.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002781 -RECORD_TITLE: Diclofenac; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Diclofenac; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DCOPUUMXTXDBNB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022923 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002782.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002782.txt index eaa5af1edff..b953ced087c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002782.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002782.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002782 -RECORD_TITLE: Diclofenac; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Diclofenac; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DCOPUUMXTXDBNB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022923 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002783.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002783.txt index 5ebb6755153..ae80b9f829a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002783.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002783.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002783 -RECORD_TITLE: Diclofenac; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Diclofenac; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DCOPUUMXTXDBNB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022923 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002784.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002784.txt index 79736cdd2ee..1e2796b1b3d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002784.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002784.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002784 -RECORD_TITLE: Diclofenac; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Diclofenac; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DCOPUUMXTXDBNB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022923 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002785.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002785.txt index 24bbac81310..dc1e31daf63 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002785.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002785.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002785 -RECORD_TITLE: Diclofenac; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Diclofenac; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DCOPUUMXTXDBNB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022923 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002786.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002786.txt index 71c6f158987..a263cc33c96 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002786.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002786.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002786 -RECORD_TITLE: Na,Na-Dimethylhistidine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Na,Na-Dimethylhistidine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IMOBSLOLPCWZKQ-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID60947821 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002787.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002787.txt index feb08259a43..33322af9c1f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002787.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002787.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002787 -RECORD_TITLE: Na,Na-Dimethylhistidine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Na,Na-Dimethylhistidine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IMOBSLOLPCWZKQ-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID60947821 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002788.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002788.txt index 624deac2139..77d7229bcaa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002788.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002788.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002788 -RECORD_TITLE: Na,Na-Dimethylhistidine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Na,Na-Dimethylhistidine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IMOBSLOLPCWZKQ-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID60947821 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002789.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002789.txt index fed865837ef..9d109b3bdee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002789.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002789.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002789 -RECORD_TITLE: Na,Na-Dimethylhistidine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Na,Na-Dimethylhistidine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IMOBSLOLPCWZKQ-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID60947821 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002790.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002790.txt index 87f6cc9bd33..e272f79cf6c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002790.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002790.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002790 -RECORD_TITLE: Na,Na-Dimethylhistidine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Na,Na-Dimethylhistidine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IMOBSLOLPCWZKQ-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID60947821 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002791.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002791.txt index 9c860c6b786..4fd99b18d88 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002791.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002791.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002791 -RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KSPIHGBHKVISFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059690 CH$LINK: ChemOnt CHEMONTID:0000113; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylhydrazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002792.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002792.txt index 3086884610a..6f761405df1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002792.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002792.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002792 -RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KSPIHGBHKVISFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059690 CH$LINK: ChemOnt CHEMONTID:0000113; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylhydrazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002793.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002793.txt index cab9ac1ccf7..0058e9ccb36 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002793.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002793.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002793 -RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KSPIHGBHKVISFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059690 CH$LINK: ChemOnt CHEMONTID:0000113; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylhydrazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002794.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002794.txt index cabaab8d2a2..273e5aa8409 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002794.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002794.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002794 -RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KSPIHGBHKVISFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059690 CH$LINK: ChemOnt CHEMONTID:0000113; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylhydrazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002795.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002795.txt index 269c4102043..e1448a02784 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002795.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002795.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002795 -RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 1,5-Diphenylcarbohydrazide; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KSPIHGBHKVISFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059690 CH$LINK: ChemOnt CHEMONTID:0000113; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylhydrazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002796.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002796.txt index 7bbd48385eb..c74ecbcc926 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002796.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002796.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002796 -RECORD_TITLE: Daminozide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Daminozide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NOQGZXFMHARMLW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020370 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002797.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002797.txt index c760a6e07d0..d373c3c4147 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002797.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002797.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002797 -RECORD_TITLE: Daminozide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Daminozide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NOQGZXFMHARMLW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020370 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002798.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002798.txt index 11b41f45923..2b21b257a20 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002798.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002798.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002798 -RECORD_TITLE: Daminozide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Daminozide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NOQGZXFMHARMLW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020370 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002799.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002799.txt index 5abadf3c968..a77c0916a96 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002799.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002799.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002799 -RECORD_TITLE: Daminozide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Daminozide; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NOQGZXFMHARMLW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020370 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002800.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002800.txt index 4e693a95622..fcdfba975ea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002800.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002800.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002800 -RECORD_TITLE: Daminozide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Daminozide; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NOQGZXFMHARMLW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020370 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002801.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002801.txt index 69b2627e442..a6e07bb0b1f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002801.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002801 -RECORD_TITLE: 2,6-Dimethylaniline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 2,6-Dimethylaniline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY UFFBMTHBGFGIHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026307 CH$LINK: ChemOnt CHEMONTID:0004208; Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002802.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002802.txt index 3034d2759ee..e7ceb10d9c2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002802.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002802 -RECORD_TITLE: 2,6-Dimethylaniline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 2,6-Dimethylaniline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY UFFBMTHBGFGIHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026307 CH$LINK: ChemOnt CHEMONTID:0004208; Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002803.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002803.txt index 4193786d997..b5eb696a227 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002803.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002803 -RECORD_TITLE: 2,6-Dimethylaniline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 2,6-Dimethylaniline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY UFFBMTHBGFGIHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026307 CH$LINK: ChemOnt CHEMONTID:0004208; Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002804.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002804.txt index 7be6b529752..b5f18317cc5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002804.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002804 -RECORD_TITLE: 2,6-Dimethylaniline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 2,6-Dimethylaniline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY UFFBMTHBGFGIHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026307 CH$LINK: ChemOnt CHEMONTID:0004208; Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002805.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002805.txt index 4a3454431d0..f0f27cf3974 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002805.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002805 -RECORD_TITLE: 2,6-Dimethylaniline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 2,6-Dimethylaniline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY UFFBMTHBGFGIHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026307 CH$LINK: ChemOnt CHEMONTID:0004208; Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002806.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002806.txt index 4af739d84ae..67e64d492a4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002806.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002806.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002806 -RECORD_TITLE: 2,4-Dimethylaniline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 2,4-Dimethylaniline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY CZZZABOKJQXEBO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026305 CH$LINK: ChemOnt CHEMONTID:0004208; Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002807.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002807.txt index 8d300284f6b..70f50b9ef7d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002807.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002807 -RECORD_TITLE: 2,4-Dimethylaniline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 2,4-Dimethylaniline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY CZZZABOKJQXEBO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026305 CH$LINK: ChemOnt CHEMONTID:0004208; Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002808.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002808.txt index 820793e4e35..6119e50d8dc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002808.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002808 -RECORD_TITLE: 2,4-Dimethylaniline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 2,4-Dimethylaniline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY CZZZABOKJQXEBO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026305 CH$LINK: ChemOnt CHEMONTID:0004208; Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002809.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002809.txt index 2b9b0837055..884c4ab518b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002809.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002809.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002809 -RECORD_TITLE: 2,4-Dimethylaniline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 2,4-Dimethylaniline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY CZZZABOKJQXEBO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026305 CH$LINK: ChemOnt CHEMONTID:0004208; Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002810.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002810.txt index 6be460b5105..8499170f47f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002810.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002810.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002810 -RECORD_TITLE: 2,4-Dimethylaniline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 2,4-Dimethylaniline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY CZZZABOKJQXEBO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026305 CH$LINK: ChemOnt CHEMONTID:0004208; Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002811.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002811.txt index dabee39296c..00a8ff07557 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002811.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002811.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002811 -RECORD_TITLE: Dyphylline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Dyphylline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KSCFJBIXMNOVSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022975 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002812.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002812.txt index 70fe250ea60..6514631dc31 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002812.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002812.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002812 -RECORD_TITLE: Dyphylline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Dyphylline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KSCFJBIXMNOVSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022975 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002813.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002813.txt index c42eb1675b8..4fc481be993 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002813.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002813.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002813 -RECORD_TITLE: Dyphylline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Dyphylline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KSCFJBIXMNOVSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022975 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002814.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002814.txt index 05c1a94dfb6..ff126f0d469 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002814.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002814.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002814 -RECORD_TITLE: Dyphylline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Dyphylline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KSCFJBIXMNOVSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022975 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002815.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002815.txt index 6fe4b99fe0d..b3069223662 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002815.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002815.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002815 -RECORD_TITLE: Dyphylline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Dyphylline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KSCFJBIXMNOVSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022975 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002816.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002816.txt index bed26541ec4..e99677e8589 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002816.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002816.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002816 -RECORD_TITLE: Dobutamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Dobutamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JRWZLRBJNMZMFE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3022958 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002817.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002817.txt index 15bc0d5b0b9..57bdfce1c7a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002817.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002817.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002817 -RECORD_TITLE: Dobutamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Dobutamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JRWZLRBJNMZMFE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3022958 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002818.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002818.txt index 00d4ce155e6..0b536761d39 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002818.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002818.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002818 -RECORD_TITLE: Dobutamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Dobutamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JRWZLRBJNMZMFE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3022958 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002819.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002819.txt index 8cc783f5f72..6d7d6032a77 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002819.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002819.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002819 -RECORD_TITLE: Dobutamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Dobutamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JRWZLRBJNMZMFE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3022958 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002820.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002820.txt index cd4d2653961..66844514175 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002820.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002820.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002820 -RECORD_TITLE: Dobutamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Dobutamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JRWZLRBJNMZMFE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3022958 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002821.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002821.txt index 13e2ba5e09f..afcf161614f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002821.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002821.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002821 -RECORD_TITLE: N-Ethylglutamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: N-Ethylglutamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DATAGRPVKZEWHA-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80184817 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002822.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002822.txt index c7c88b071bf..82e664ed33a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002822.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002822.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002822 -RECORD_TITLE: N-Ethylglutamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: N-Ethylglutamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DATAGRPVKZEWHA-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80184817 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002823.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002823.txt index 25a8a2752f5..4185858f848 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002823.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002823.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002823 -RECORD_TITLE: N-Ethylglutamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: N-Ethylglutamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DATAGRPVKZEWHA-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80184817 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002824.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002824.txt index 82d6973a9d4..d64347c0a01 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002824.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002824.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002824 -RECORD_TITLE: N-Ethylglutamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: N-Ethylglutamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DATAGRPVKZEWHA-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80184817 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002825.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002825.txt index 0146fbe41c1..1853f0f1d7d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002825.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002825.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002825 -RECORD_TITLE: Eserine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Eserine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY PIJVFDBKTWXHHD-HIFRSBDPSA-N CH$LINK: COMPTOX DTXSID3023471 CH$LINK: ChemOnt CHEMONTID:0001733; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyrroloindoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002826.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002826.txt index 0ecb941b9fa..1ba10768c39 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002826.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002826.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002826 -RECORD_TITLE: Eserine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Eserine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY PIJVFDBKTWXHHD-HIFRSBDPSA-N CH$LINK: COMPTOX DTXSID3023471 CH$LINK: ChemOnt CHEMONTID:0001733; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyrroloindoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002827.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002827.txt index bb1d1d69888..ae0e406c2e8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002827.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002827.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002827 -RECORD_TITLE: Eserine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Eserine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY PIJVFDBKTWXHHD-HIFRSBDPSA-N CH$LINK: COMPTOX DTXSID3023471 CH$LINK: ChemOnt CHEMONTID:0001733; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyrroloindoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002828.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002828.txt index 1f3a6b38bbf..7cc9248fc09 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002828.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002828.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002828 -RECORD_TITLE: Eserine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Eserine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY PIJVFDBKTWXHHD-HIFRSBDPSA-N CH$LINK: COMPTOX DTXSID3023471 CH$LINK: ChemOnt CHEMONTID:0001733; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyrroloindoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002829.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002829.txt index 42d5dc54e83..0ef9bd05b64 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002829.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002829.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002829 -RECORD_TITLE: Eserine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Eserine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY PIJVFDBKTWXHHD-HIFRSBDPSA-N CH$LINK: COMPTOX DTXSID3023471 CH$LINK: ChemOnt CHEMONTID:0001733; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyrroloindoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002830.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002830.txt index c1b258bae65..228b4cdd133 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002830.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002830.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002830 -RECORD_TITLE: N-Ethylmaleimide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: N-Ethylmaleimide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HDFGOPSGAURCEO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1059573 CH$LINK: ChemOnt CHEMONTID:0001158; Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Pyrrolidones AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002831.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002831.txt index 4c31f79437a..0f7d774bbd3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002831.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002831.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002831 -RECORD_TITLE: N-Ethylmaleimide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: N-Ethylmaleimide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HDFGOPSGAURCEO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1059573 CH$LINK: ChemOnt CHEMONTID:0001158; Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Pyrrolidones AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002832.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002832.txt index a77047a8055..6f1f51be958 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002832.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002832.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002832 -RECORD_TITLE: N-Ethylmaleimide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: N-Ethylmaleimide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HDFGOPSGAURCEO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1059573 CH$LINK: ChemOnt CHEMONTID:0001158; Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Pyrrolidones AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002833.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002833.txt index 4bc67ec5e67..fd78e31f36f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002833.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002833.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002833 -RECORD_TITLE: N-Ethylmaleimide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: N-Ethylmaleimide; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HDFGOPSGAURCEO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1059573 CH$LINK: ChemOnt CHEMONTID:0001158; Organic compounds; Organoheterocyclic compounds; Pyrrolidines; Pyrrolidones AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002834.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002834.txt index 22fe1a9f775..c0576ffcebf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002834.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002834.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002834 -RECORD_TITLE: Ectoine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Ectoine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY WQXNXVUDBPYKBA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50869280 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002835.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002835.txt index 4fb7dc7ba3e..ecdc45edd32 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002835.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002835.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002835 -RECORD_TITLE: Ectoine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Ectoine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY WQXNXVUDBPYKBA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50869280 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002836.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002836.txt index e156ca9b088..156ecfc689e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002836.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002836.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002836 -RECORD_TITLE: Ectoine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Ectoine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY WQXNXVUDBPYKBA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50869280 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002837.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002837.txt index e2767afd348..917d1633e46 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002837.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002837.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002837 -RECORD_TITLE: Ectoine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Ectoine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY WQXNXVUDBPYKBA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50869280 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002838.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002838.txt index 45eb33750b1..ae9218b21e1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002838.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002838.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002838 -RECORD_TITLE: Ectoine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Ectoine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY WQXNXVUDBPYKBA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50869280 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002839.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002839.txt index eed8fbf8d5f..ed21c80928f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002839.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002839.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002839 -RECORD_TITLE: Epinine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Epinine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY NGKZFDYBISXGGS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10198205 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002840.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002840.txt index 95eed3d12a6..aee834f98c2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002840.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002840.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002840 -RECORD_TITLE: Epinine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Epinine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY NGKZFDYBISXGGS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10198205 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002841.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002841.txt index cac40eaa894..65c893da2c3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002841.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002841.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002841 -RECORD_TITLE: Epinine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Epinine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY NGKZFDYBISXGGS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10198205 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002842.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002842.txt index 338d8995b5d..7ba223dd053 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002842.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002842.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002842 -RECORD_TITLE: Epinine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Epinine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY NGKZFDYBISXGGS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10198205 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002843.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002843.txt index 0be5bb66165..8b1685fa01d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002843.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002843.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002843 -RECORD_TITLE: Epinine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Epinine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY NGKZFDYBISXGGS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10198205 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002844.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002844.txt index d941f011517..378c7f40fc2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002844.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002844.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002844 -RECORD_TITLE: E-64; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: E-64; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:123985 CH$LINK: INCHIKEY LTLYEAJONXGNFG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002845.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002845.txt index c40754833ba..ad0d2a968a5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002845.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002845.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002845 -RECORD_TITLE: E-64; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: E-64; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:123985 CH$LINK: INCHIKEY LTLYEAJONXGNFG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002846.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002846.txt index 27ddde22277..f0851cac53d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002846.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002846.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002846 -RECORD_TITLE: E-64; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: E-64; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:123985 CH$LINK: INCHIKEY LTLYEAJONXGNFG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002847.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002847.txt index bbf508f2526..45bd724cb63 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002847.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002847.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002847 -RECORD_TITLE: E-64; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: E-64; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:123985 CH$LINK: INCHIKEY LTLYEAJONXGNFG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002848.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002848.txt index e7565040017..7a522774897 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002848.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002848.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002848 -RECORD_TITLE: E-64; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: E-64; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:123985 CH$LINK: INCHIKEY LTLYEAJONXGNFG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002849.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002849.txt index 57100b2d090..0051e22281a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002849.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002849.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002849 -RECORD_TITLE: Ethanolamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Ethanolamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY HZAXFHJVJLSVMW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022000 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002850.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002850.txt index a07638ffc1c..ee1a2ef80a1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002850.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002850.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002850 -RECORD_TITLE: Ethanolamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Ethanolamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY HZAXFHJVJLSVMW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022000 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002851.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002851.txt index 68402f57b28..3e83d968824 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002851.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002851.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002851 -RECORD_TITLE: Ethanolamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Ethanolamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY HZAXFHJVJLSVMW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022000 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002852.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002852.txt index 742bf207488..bb1324f8e97 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002852.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002852.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002852 -RECORD_TITLE: Ethanolamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Ethanolamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY HZAXFHJVJLSVMW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022000 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002853.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002853.txt index e62c16fac6d..97e4062d39e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002853.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002853.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002853 -RECORD_TITLE: Ethanolamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Ethanolamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY HZAXFHJVJLSVMW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022000 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002854.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002854.txt index 141db67db94..fe2bab9e4dd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002854.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002854.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002854 -RECORD_TITLE: Ethylamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Ethylamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY QUSNBJAOOMFDIB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025678 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002855.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002855.txt index 300c2595f2e..76f35f4cd9d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002855.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002855.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002855 -RECORD_TITLE: Ethylamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Ethylamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY QUSNBJAOOMFDIB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025678 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002856.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002856.txt index 6b789f69cda..358019bf024 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002856.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002856.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002856 -RECORD_TITLE: Ethylamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Ethylamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY QUSNBJAOOMFDIB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025678 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002857.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002857.txt index 9aaeeb7d5de..9f3a76d2035 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002857.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002857.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002857 -RECORD_TITLE: Ethylamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Ethylamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY QUSNBJAOOMFDIB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025678 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002858.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002858.txt index 2ad336992cb..ca76664fe2b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002858.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002858.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002858 -RECORD_TITLE: Ethylamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Ethylamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY QUSNBJAOOMFDIB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025678 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002859.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002859.txt index 4ecca401018..2aa54777553 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002859.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002859.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002859 -RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002860.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002860.txt index 3981ba1da49..f6900d3791a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002860.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002860.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002860 -RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002861.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002861.txt index f83e7aabf2a..c484c43bedf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002861.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002861.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002861 -RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002862.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002862.txt index d12f8304b02..e395007b84c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002862.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002862.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002862 -RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002863.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002863.txt index e7050e107e0..a6d84d5878c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002863.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002863.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002863 -RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002864.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002864.txt index 7f7315ac67a..c443e1d5441 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002864.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002864.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002864 -RECORD_TITLE: Etodolac; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Etodolac; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY NNYBQONXHNTVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020615 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002865.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002865.txt index 5584ffa1f80..585d68437a6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002865.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002865.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002865 -RECORD_TITLE: Etodolac; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Etodolac; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY NNYBQONXHNTVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020615 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002866.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002866.txt index 4ac7c44f885..06c26d1649e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002866.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002866.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002866 -RECORD_TITLE: Etodolac; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Etodolac; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY NNYBQONXHNTVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020615 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002867.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002867.txt index a7711c5c88e..4d3f5bee60b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002867.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002867.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002867 -RECORD_TITLE: Etodolac; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Etodolac; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY NNYBQONXHNTVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020615 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002868.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002868.txt index 5652b18910e..d297c8caa92 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002868.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002868.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002868 -RECORD_TITLE: Etodolac; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Etodolac; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY NNYBQONXHNTVIJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020615 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002869.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002869.txt index 27dcb1097da..17a452a0885 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002869.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002869.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002869 -RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002870.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002870.txt index daac45f40c8..0e0dc758483 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002870.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002870.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002870 -RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002871.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002871.txt index 53016167943..64e7626abd3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002871.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002871.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002871 -RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002872.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002872.txt index 5493bb33065..7d97c626ad3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002872.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002872.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002872 -RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002873.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002873.txt index f46619e8e7b..845b47acb65 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002873.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002873.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002873 -RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: (-)-Epinephrine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY UCTWMZQNUQWSLP-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5022986 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002874.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002874.txt index c59d051d91f..49be896c417 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002874.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002874.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002874 -RECORD_TITLE: L-Ethionine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-Ethionine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY GGLZPLKKBSSKCX-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID5020578 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002875.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002875.txt index 50623f25dcf..95a861b58aa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002875.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002875.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002875 -RECORD_TITLE: L-Ethionine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-Ethionine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY GGLZPLKKBSSKCX-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID5020578 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002876.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002876.txt index bc68bf9c3d4..644cff303cf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002876.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002876.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002876 -RECORD_TITLE: L-Ethionine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-Ethionine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY GGLZPLKKBSSKCX-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID5020578 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002877.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002877.txt index 5da06750ff0..389736a7f41 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002877.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002877.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002877 -RECORD_TITLE: L-Ethionine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-Ethionine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY GGLZPLKKBSSKCX-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID5020578 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002878.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002878.txt index 7ea9513d919..d63c6e4f63f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002878.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002878.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002878 -RECORD_TITLE: L-Ethionine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-Ethionine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY GGLZPLKKBSSKCX-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID5020578 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002879.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002879.txt index 012932925ac..5c2b6c189f1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002879.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002879.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002879 -RECORD_TITLE: Fructose 1,6-diphosphate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Fructose 1,6-diphosphate; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:172313 CH$LINK: INCHIKEY XPYBSIWDXQFNMH-UYFOZJQFSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002880.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002880.txt index 61c24a8e6d5..8bd59fcf779 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002880.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002880.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002880 -RECORD_TITLE: Fructose 1,6-diphosphate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Fructose 1,6-diphosphate; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:172313 CH$LINK: INCHIKEY XPYBSIWDXQFNMH-UYFOZJQFSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002881.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002881.txt index 7f85ac2774f..2340137f41c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002881.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002881.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002881 -RECORD_TITLE: Fructose 1,6-diphosphate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Fructose 1,6-diphosphate; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:172313 CH$LINK: INCHIKEY XPYBSIWDXQFNMH-UYFOZJQFSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002882.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002882.txt index 683a8f5245d..2a44d3a595b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002882.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002882.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002882 -RECORD_TITLE: Fructose 1,6-diphosphate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Fructose 1,6-diphosphate; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:172313 CH$LINK: INCHIKEY XPYBSIWDXQFNMH-UYFOZJQFSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002883.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002883.txt index a0580d74584..cae64830815 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002883.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002883.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002883 -RECORD_TITLE: Fructose 1,6-diphosphate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Fructose 1,6-diphosphate; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:172313 CH$LINK: INCHIKEY XPYBSIWDXQFNMH-UYFOZJQFSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002884.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002884.txt index fb2caf0f99b..223f20972d0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002884.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002884.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002884 -RECORD_TITLE: Fusaric acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Fusaric acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DGMPVYSXXIOGJY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023085 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002885.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002885.txt index dd3ddf14c77..5ba23a5a4da 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002885.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002885.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002885 -RECORD_TITLE: Fusaric acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Fusaric acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DGMPVYSXXIOGJY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023085 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002886.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002886.txt index 68115dbda3c..497c7bbf37c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002886.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002886.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002886 -RECORD_TITLE: Fusaric acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Fusaric acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DGMPVYSXXIOGJY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023085 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002887.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002887.txt index 47338e9aac1..4bde76ddb40 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002887.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002887.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002887 -RECORD_TITLE: Fusaric acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Fusaric acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DGMPVYSXXIOGJY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023085 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002888.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002888.txt index da4c00301fb..4c3fc50b81e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002888.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002888.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002888 -RECORD_TITLE: Fusaric acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Fusaric acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DGMPVYSXXIOGJY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023085 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002889.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002889.txt index 4a76583890f..b8fac8d91f5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002889.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002889.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002889 -RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QANMHLXAZMSUEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9035175 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002890.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002890.txt index 3cc76db1223..b647e72fba5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002890.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002890.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002890 -RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QANMHLXAZMSUEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9035175 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002891.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002891.txt index 97cbaaf77b6..a3b2bfb0ca3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002891.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002891.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002891 -RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QANMHLXAZMSUEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9035175 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002892.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002892.txt index ad32ac2b83b..63976aeffc1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002892.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002892.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002892 -RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QANMHLXAZMSUEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9035175 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002893.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002893.txt index 77e87be4f8a..460bc5cf142 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002893.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002893.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002893 -RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 6-Furfurylaminopurine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QANMHLXAZMSUEX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9035175 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002894.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002894.txt index 1f81d5cb4b8..1fd0b74d796 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002894.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002894.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002894 -RECORD_TITLE: Fenfluramine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Fenfluramine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DBGIVFWFUFKIQN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023044 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002895.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002895.txt index 800fbe00d36..bfa26d2639d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002895.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002895.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002895 -RECORD_TITLE: Fenfluramine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Fenfluramine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DBGIVFWFUFKIQN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023044 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002896.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002896.txt index 93e4ce74b3c..21da9a83ecc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002896.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002896.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002896 -RECORD_TITLE: Fenfluramine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Fenfluramine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DBGIVFWFUFKIQN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023044 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002897.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002897.txt index 9ffbd938d4e..c494d4a4ca1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002897.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002897.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002897 -RECORD_TITLE: Fenfluramine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Fenfluramine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DBGIVFWFUFKIQN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023044 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002898.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002898.txt index 6c42d6e11f5..ffa1cfe0369 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002898.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002898.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002898 -RECORD_TITLE: Fenfluramine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Fenfluramine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DBGIVFWFUFKIQN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023044 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002899.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002899.txt index fab511192f4..047370756e9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002899.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002899.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002899 -RECORD_TITLE: Formiminoaspartate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Formiminoaspartate; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440000 CH$LINK: INCHIKEY XTPIFIMCFHNJOH-VKHMYHEASA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002900.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002900.txt index 67f54ac1928..22521fca914 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002900.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002900.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002900 -RECORD_TITLE: Formiminoaspartate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Formiminoaspartate; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440000 CH$LINK: INCHIKEY XTPIFIMCFHNJOH-VKHMYHEASA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002901.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002901.txt index 471df88ab48..bc0525e76ec 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002901.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002901 -RECORD_TITLE: Formiminoaspartate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Formiminoaspartate; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440000 CH$LINK: INCHIKEY XTPIFIMCFHNJOH-VKHMYHEASA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002902.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002902.txt index 7aeb400d921..e64aa1ba115 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002902.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002902 -RECORD_TITLE: Formiminoaspartate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Formiminoaspartate; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440000 CH$LINK: INCHIKEY XTPIFIMCFHNJOH-VKHMYHEASA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002903.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002903.txt index 559cae5353c..4a875193b3a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002903.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002903 -RECORD_TITLE: Formiminoaspartate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Formiminoaspartate; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440000 CH$LINK: INCHIKEY XTPIFIMCFHNJOH-VKHMYHEASA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002904.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002904.txt index e933fe1d9e0..e7efe0a6aa8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002904.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002904 -RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY PYUSHNKNPOHWEZ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80863357 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002905.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002905.txt index 50a6a2f5f5c..8b7b63f52ae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002905.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002905 -RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY PYUSHNKNPOHWEZ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80863357 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002906.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002906.txt index 5e95d109d79..9a3d9f618a7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002906.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002906.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002906 -RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY PYUSHNKNPOHWEZ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80863357 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002907.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002907.txt index 4bf55a62008..a55fae83014 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002907.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002907 -RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY PYUSHNKNPOHWEZ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80863357 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002908.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002908.txt index 0407ca2356a..c1a1da27b94 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002908.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002908 -RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: N-Formyl-L-Methionine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY PYUSHNKNPOHWEZ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID80863357 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002909.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002909.txt index cf0a3466bbd..0cf73900136 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002909.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002909 -RECORD_TITLE: 4-Fluoroaniline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 4-Fluoroaniline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KRZCOLNOCZKSDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022027 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002910.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002910.txt index 1d402fc597c..a03e1ff2bde 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002910.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002910.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002910 -RECORD_TITLE: 4-Fluoroaniline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 4-Fluoroaniline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KRZCOLNOCZKSDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022027 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002911.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002911.txt index 6fe3ad58413..0c32a611626 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002911.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002911.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002911 -RECORD_TITLE: 4-Fluoroaniline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 4-Fluoroaniline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KRZCOLNOCZKSDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022027 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002912.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002912.txt index 075f92bbcac..9379e72e2dd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002912.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002912.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002912 -RECORD_TITLE: 4-Fluoroaniline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 4-Fluoroaniline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KRZCOLNOCZKSDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022027 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002913.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002913.txt index 439654ff590..1ee5b4a6dc3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002913.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002913.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002913 -RECORD_TITLE: 4-Fluoroaniline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 4-Fluoroaniline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KRZCOLNOCZKSDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022027 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002914.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002914.txt index e7ecd736cf6..b9b4abb5a55 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002914.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002914.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002914 -RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2010.08.06, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002915.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002915.txt index 818accc6849..2d6cf7911c0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002915.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002915.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002915 -RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2010.08.06, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002916.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002916.txt index 11ad51ed383..8230729342d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002916.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002916.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002916 -RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2010.08.06, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002917.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002917.txt index 288b18e3574..00e595239a0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002917.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002917.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002917 -RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2010.08.06, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002918.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002918.txt index d38f2123f53..dcb02c7b96c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002918.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002918.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002918 -RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2010.08.06, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002919.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002919.txt index 25372684469..a675a0c1b78 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002919.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002919.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002919 -RECORD_TITLE: D-Glu; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: D-Glu; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY WHUUTDBJXJRKMK-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID1048675 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002920.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002920.txt index 62de2cb4356..e844e179e88 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002920.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002920.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002920 -RECORD_TITLE: D-Glu; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: D-Glu; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY WHUUTDBJXJRKMK-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID1048675 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002921.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002921.txt index e388b028612..e33df865ef4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002921.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002921.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002921 -RECORD_TITLE: D-Glu; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: D-Glu; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY WHUUTDBJXJRKMK-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID1048675 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002922.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002922.txt index fd43a79791c..83a5bc79cc8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002922.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002922.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002922 -RECORD_TITLE: D-Glu; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: D-Glu; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY WHUUTDBJXJRKMK-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID1048675 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002923.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002923.txt index 38a150829c4..39759ae0141 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002923.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002923.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002923 -RECORD_TITLE: D-Glu; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: D-Glu; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY WHUUTDBJXJRKMK-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID1048675 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002924.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002924.txt index 3d3c63a83ce..899a187a7b6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002924.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002924.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002924 -RECORD_TITLE: D-Glutamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: D-Glutamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID6046345 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002925.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002925.txt index 82d78090275..456513d2837 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002925.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002925.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002925 -RECORD_TITLE: D-Glutamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: D-Glutamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID6046345 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002926.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002926.txt index 0f7c7ccab28..8e5ae7efa58 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002926.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002926.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002926 -RECORD_TITLE: D-Glutamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: D-Glutamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID6046345 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002927.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002927.txt index 1c4a6a2f89a..b327ddc1d26 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002927.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002927.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002927 -RECORD_TITLE: D-Glutamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: D-Glutamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID6046345 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002928.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002928.txt index ece41eb1b43..4af85b7ae8c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002928.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002928.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002928 -RECORD_TITLE: D-Glutamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: D-Glutamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID6046345 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002929.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002929.txt index acb543699a7..f0980950c19 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002929.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002929.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002929 -RECORD_TITLE: L-Glutathione (oxidized form); LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-Glutathione (oxidized form); LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY YPZRWBKMTBYPTK-BJDJZHNGSA-N CH$LINK: COMPTOX DTXSID5048972 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002930.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002930.txt index 03fca2c8e00..d70bb2b359f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002930.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002930.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002930 -RECORD_TITLE: L-Glutathione (oxidized form); LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-Glutathione (oxidized form); LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY YPZRWBKMTBYPTK-BJDJZHNGSA-N CH$LINK: COMPTOX DTXSID5048972 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002931.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002931.txt index f31a28b86b4..2e641f9f800 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002931.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002931.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002931 -RECORD_TITLE: L-Glutathione (oxidized form); LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-Glutathione (oxidized form); LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY YPZRWBKMTBYPTK-BJDJZHNGSA-N CH$LINK: COMPTOX DTXSID5048972 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002932.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002932.txt index 149bfc3ef67..4bcd44bee52 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002932.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002932.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002932 -RECORD_TITLE: L-Glutathione (oxidized form); LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-Glutathione (oxidized form); LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY YPZRWBKMTBYPTK-BJDJZHNGSA-N CH$LINK: COMPTOX DTXSID5048972 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002933.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002933.txt index 0632eb50e56..e1c351be5b3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002933.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002933.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002933 -RECORD_TITLE: L-Glutathione (oxidized form); LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-Glutathione (oxidized form); LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY YPZRWBKMTBYPTK-BJDJZHNGSA-N CH$LINK: COMPTOX DTXSID5048972 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002934.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002934.txt index a1ab4f1b074..8a4d8c0693a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002934.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002934.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002934 -RECORD_TITLE: Glycine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Glycine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DHMQDGOQFOQNFH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020667 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002935.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002935.txt index d414c322b59..88d5a88e6d5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002935.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002935.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002935 -RECORD_TITLE: Glycine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Glycine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DHMQDGOQFOQNFH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020667 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002936.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002936.txt index b2be0a1b42f..16a31489d11 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002936.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002936.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002936 -RECORD_TITLE: Glycine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Glycine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DHMQDGOQFOQNFH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020667 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002937.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002937.txt index cec7babc7fa..4913d42eda3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002937.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002937.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002937 -RECORD_TITLE: Glycine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Glycine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DHMQDGOQFOQNFH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020667 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002938.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002938.txt index c1c838c0004..98a11d1ded2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002938.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002938.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002938 -RECORD_TITLE: Glycine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Glycine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DHMQDGOQFOQNFH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020667 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002939.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002939.txt index 2465943b1ac..370c8ea26e1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002939.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002939.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002939 -RECORD_TITLE: Guanosine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Guanosine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: NIKKAJI J10.076E CH$LINK: PUBCHEM CID:135398635 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002940.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002940.txt index 4d5f62a1161..da26d88ba23 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002940.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002940.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002940 -RECORD_TITLE: Guanosine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Guanosine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: NIKKAJI J10.076E CH$LINK: PUBCHEM CID:135398635 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002941.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002941.txt index 6026f80b5f2..dad7f1e434d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002941.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002941.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002941 -RECORD_TITLE: Guanosine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Guanosine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: NIKKAJI J10.076E CH$LINK: PUBCHEM CID:135398635 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002942.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002942.txt index 516403c2db3..0b7d1538530 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002942.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002942.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002942 -RECORD_TITLE: Guanosine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Guanosine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: NIKKAJI J10.076E CH$LINK: PUBCHEM CID:135398635 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002943.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002943.txt index de51dff3acd..a0cdb8721e4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002943.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002943.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002943 -RECORD_TITLE: Guanosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Guanosine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: NIKKAJI J10.076E CH$LINK: PUBCHEM CID:135398635 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002944.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002944.txt index 6b6e958870e..b170184cc59 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002944.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002944.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002944 -RECORD_TITLE: L-Glutamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-Glutamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID1023100 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002945.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002945.txt index 20a33362aff..67542f528f4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002945.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002945.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002945 -RECORD_TITLE: L-Glutamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-Glutamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID1023100 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002946.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002946.txt index ec53f371966..a9fedb0d269 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002946.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002946.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002946 -RECORD_TITLE: L-Glutamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-Glutamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID1023100 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002947.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002947.txt index d739194f12d..92f894fa298 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002947.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002947.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002947 -RECORD_TITLE: L-Glutamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-Glutamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID1023100 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002948.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002948.txt index affbb34743a..6a83636ffec 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002948.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002948.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002948 -RECORD_TITLE: L-Glutamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-Glutamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID1023100 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002949.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002949.txt index d482895db76..52e1839946c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002949.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002949.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002949 -RECORD_TITLE: L-Glutamic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-Glutamic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY WHUUTDBJXJRKMK-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5020659 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002950.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002950.txt index 46565d6de79..affb4b6ff7d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002950.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002950.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002950 -RECORD_TITLE: L-Glutamic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-Glutamic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY WHUUTDBJXJRKMK-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5020659 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002951.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002951.txt index ecbb3324eca..366477b2ed2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002951.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002951.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002951 -RECORD_TITLE: L-Glutamic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-Glutamic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY WHUUTDBJXJRKMK-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5020659 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002952.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002952.txt index 51b800413f1..27c06882879 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002952.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002952.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002952 -RECORD_TITLE: L-Glutamic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-Glutamic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY WHUUTDBJXJRKMK-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5020659 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002953.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002953.txt index 4649948d0d3..293eb3eb625 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002953.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002953.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002953 -RECORD_TITLE: L-Glutamic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-Glutamic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY WHUUTDBJXJRKMK-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5020659 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002954.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002954.txt index ee85e1cebaf..8bf51e4cb62 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002954.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002954.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002954 -RECORD_TITLE: D-Glucosamine 6-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: D-Glucosamine 6-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:440997 CH$LINK: INCHIKEY XHMJOUIAFHJHBW-IVMDWMLBSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002955.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002955.txt index f493db43da8..afc6e680f40 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002955.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002955.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002955 -RECORD_TITLE: D-Glucosamine 6-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: D-Glucosamine 6-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:440997 CH$LINK: INCHIKEY XHMJOUIAFHJHBW-IVMDWMLBSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002956.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002956.txt index 409874ce06c..a517ee537ed 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002956.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002956.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002956 -RECORD_TITLE: D-Glucosamine 6-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: D-Glucosamine 6-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:440997 CH$LINK: INCHIKEY XHMJOUIAFHJHBW-IVMDWMLBSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002957.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002957.txt index 8e6cf253824..238044cd820 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002957.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002957.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002957 -RECORD_TITLE: D-Glucosamine 6-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: D-Glucosamine 6-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:440997 CH$LINK: INCHIKEY XHMJOUIAFHJHBW-IVMDWMLBSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002958.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002958.txt index c510d6a5a2d..64ea3b8d63e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002958.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002958.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002958 -RECORD_TITLE: D-Glucosamine 6-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: D-Glucosamine 6-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:440997 CH$LINK: INCHIKEY XHMJOUIAFHJHBW-IVMDWMLBSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002959.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002959.txt index 5bb3e671112..b3aecb2d4e1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002959.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002959.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002959 -RECORD_TITLE: gamma-Guanidinobutyric acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: gamma-Guanidinobutyric acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY TUHVEAJXIMEOSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50196785 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002960.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002960.txt index bf16dad6609..4f05549c061 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002960.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002960.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002960 -RECORD_TITLE: gamma-Guanidinobutyric acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: gamma-Guanidinobutyric acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY TUHVEAJXIMEOSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50196785 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002961.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002961.txt index db4aa62812b..4be5673d3bc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002961.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002961.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002961 -RECORD_TITLE: gamma-Guanidinobutyric acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: gamma-Guanidinobutyric acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY TUHVEAJXIMEOSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50196785 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002962.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002962.txt index 88bf35df4aa..85bf0a4cfc3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002962.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002962.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002962 -RECORD_TITLE: gamma-Guanidinobutyric acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: gamma-Guanidinobutyric acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY TUHVEAJXIMEOSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50196785 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002963.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002963.txt index a967fcf2f7b..e32b8227e17 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002963.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002963.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002963 -RECORD_TITLE: gamma-Guanidinobutyric acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: gamma-Guanidinobutyric acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY TUHVEAJXIMEOSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50196785 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002964.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002964.txt index a588b550e38..9290cb54fc0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002964.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002964.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002964 -RECORD_TITLE: Gly-Gly; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Gly-Gly; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862194 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002965.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002965.txt index 9ecf8391893..feb74a16707 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002965.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002965.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002965 -RECORD_TITLE: Gly-Gly; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Gly-Gly; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862194 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002966.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002966.txt index 37081274b20..2a348517654 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002966.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002966.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002966 -RECORD_TITLE: Gly-Gly; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Gly-Gly; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862194 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002967.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002967.txt index ccc4ec90b1a..c4311e1d464 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002967.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002967.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002967 -RECORD_TITLE: Gly-Gly; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Gly-Gly; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862194 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002968.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002968.txt index 1d9cd5105b0..85ebcc4f97b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002968.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002968.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002968 -RECORD_TITLE: Gly-Gly; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Gly-Gly; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90862194 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002969.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002969.txt index 24335f1f203..430fe096d01 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002969.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002969.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002969 -RECORD_TITLE: beta-Guanidinopropionic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: beta-Guanidinopropionic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KMXXSJLYVJEBHI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40188795 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002970.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002970.txt index cebc1191373..4a369915186 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002970.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002970.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002970 -RECORD_TITLE: beta-Guanidinopropionic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: beta-Guanidinopropionic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KMXXSJLYVJEBHI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40188795 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002971.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002971.txt index f4595481aaf..a0f925a1c5b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002971.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002971.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002971 -RECORD_TITLE: beta-Guanidinopropionic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: beta-Guanidinopropionic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KMXXSJLYVJEBHI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40188795 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002972.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002972.txt index 54edc9fec11..b2d183ed87e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002972.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002972.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002972 -RECORD_TITLE: beta-Guanidinopropionic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: beta-Guanidinopropionic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KMXXSJLYVJEBHI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40188795 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002973.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002973.txt index 0b63557fc1c..da00e80b968 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002973.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002973.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002973 -RECORD_TITLE: beta-Guanidinopropionic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: beta-Guanidinopropionic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KMXXSJLYVJEBHI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40188795 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002974.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002974.txt index 2613eec8be8..f800adb5173 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002974.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002974.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002974 -RECORD_TITLE: Gramine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Gramine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY OCDGBSUVYYVKQZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3058955 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002975.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002975.txt index 702826efd1d..da30bd74b68 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002975.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002975.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002975 -RECORD_TITLE: Gramine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Gramine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY OCDGBSUVYYVKQZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3058955 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002976.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002976.txt index fc159f46c5b..722cbf790a2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002976.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002976.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002976 -RECORD_TITLE: Gramine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Gramine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY OCDGBSUVYYVKQZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3058955 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002977.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002977.txt index 3382cc62715..07c8c14b7f5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002977.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002977.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002977 -RECORD_TITLE: Gramine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Gramine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY OCDGBSUVYYVKQZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3058955 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002978.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002978.txt index 3fe60e10849..492aed00621 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002978.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002978.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002978 -RECORD_TITLE: Gramine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Gramine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY OCDGBSUVYYVKQZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3058955 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002979.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002979.txt index 86531bf6db5..4b9b8eb36e4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002979.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002979.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002979 -RECORD_TITLE: Glu-Glu; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Glu-Glu; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KOSRFJWDECSPRO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70960026 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002980.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002980.txt index 9f0e5136c49..308dc41e224 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002980.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002980.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002980 -RECORD_TITLE: Glu-Glu; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Glu-Glu; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:439500 CH$LINK: INCHIKEY KOSRFJWDECSPRO-WDSKDSINSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002981.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002981.txt index d5cc2553c07..37ceac1d2bc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002981.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002981.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002981 -RECORD_TITLE: Glu-Glu; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Glu-Glu; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:439500 CH$LINK: INCHIKEY KOSRFJWDECSPRO-WDSKDSINSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002982.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002982.txt index 4698d4ecf02..75f096e3289 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002982.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002982.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002982 -RECORD_TITLE: Glu-Glu; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Glu-Glu; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:439500 CH$LINK: INCHIKEY KOSRFJWDECSPRO-WDSKDSINSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002983.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002983.txt index 670829d05ec..fd69e0ccc06 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002983.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002983.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002983 -RECORD_TITLE: Glu-Glu; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Glu-Glu; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:439500 CH$LINK: INCHIKEY KOSRFJWDECSPRO-WDSKDSINSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002984.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002984.txt index 67395aae27a..17bf16a0773 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002984.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002984.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002984 -RECORD_TITLE: D-(+)-Galactosamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: D-(+)-Galactosamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:24154 CH$LINK: INCHIKEY FZHXIRIBWMQPQF-KCDKBNATSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002985.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002985.txt index 7e8969327d0..d0203f7f1b1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002985.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002985.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002985 -RECORD_TITLE: D-(+)-Galactosamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: D-(+)-Galactosamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY MSWZFWKMSRAUBD-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID7043871 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002986.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002986.txt index bf1968587d6..74dad1f275a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002986.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002986.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002986 -RECORD_TITLE: D-(+)-Galactosamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: D-(+)-Galactosamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY MSWZFWKMSRAUBD-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID7043871 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002987.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002987.txt index 2bde88dc1b9..7058559a463 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002987.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002987.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002987 -RECORD_TITLE: D-(+)-Galactosamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: D-(+)-Galactosamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY MSWZFWKMSRAUBD-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID7043871 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002988.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002988.txt index a3a9ea9d118..b0046d230c3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002988.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002988.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002988 -RECORD_TITLE: D-(+)-Galactosamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: D-(+)-Galactosamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY MSWZFWKMSRAUBD-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID7043871 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002989.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002989.txt index 04afb5c6041..4f22cc935a0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002989.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002989.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002989 -RECORD_TITLE: Glycocholic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Glycocholic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY RFDAIACWWDREDC-FRVQLJSFSA-N CH$LINK: COMPTOX DTXSID2047436 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002990.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002990.txt index 1e943482485..6542827a0a6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002990.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002990.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002990 -RECORD_TITLE: Glycocholic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Glycocholic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY RFDAIACWWDREDC-FRVQLJSFSA-N CH$LINK: COMPTOX DTXSID2047436 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002991.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002991.txt index 1c2c18c5c75..728b6948379 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002991.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002991.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002991 -RECORD_TITLE: Glycocholic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Glycocholic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY RFDAIACWWDREDC-FRVQLJSFSA-N CH$LINK: COMPTOX DTXSID2047436 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002992.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002992.txt index d91705f5148..42511b5d890 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002992.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002992.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002992 -RECORD_TITLE: Glycocholic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Glycocholic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY RFDAIACWWDREDC-FRVQLJSFSA-N CH$LINK: COMPTOX DTXSID2047436 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002993.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002993.txt index 061bf1ae362..e43b342848e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002993.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002993.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002993 -RECORD_TITLE: Glycocholic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Glycocholic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY RFDAIACWWDREDC-FRVQLJSFSA-N CH$LINK: COMPTOX DTXSID2047436 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002994.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002994.txt index e8a4de270e1..04f2d4f4714 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002994.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002994.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002994 -RECORD_TITLE: D-(+)-Glucosamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: D-(+)-Glucosamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY MSWZFWKMSRAUBD-QZABAPFNSA-N CH$LINK: COMPTOX DTXSID4023098 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002995.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002995.txt index 29b4ae6eb9c..60d46396e0c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002995.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002995.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002995 -RECORD_TITLE: D-(+)-Glucosamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: D-(+)-Glucosamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY MSWZFWKMSRAUBD-QZABAPFNSA-N CH$LINK: COMPTOX DTXSID4023098 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002996.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002996.txt index b06aff50e01..96ca4ee45da 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002996.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002996.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002996 -RECORD_TITLE: D-(+)-Glucosamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: D-(+)-Glucosamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY MSWZFWKMSRAUBD-QZABAPFNSA-N CH$LINK: COMPTOX DTXSID4023098 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002997.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002997.txt index bc8479e5bff..c4a405d8ab3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002997.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002997.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002997 -RECORD_TITLE: D-(+)-Glucosamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: D-(+)-Glucosamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY MSWZFWKMSRAUBD-QZABAPFNSA-N CH$LINK: COMPTOX DTXSID4023098 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002998.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002998.txt index 3315a7a07c7..ba72d470047 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002998.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002998.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002998 -RECORD_TITLE: D-(+)-Glucosamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: D-(+)-Glucosamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY MSWZFWKMSRAUBD-QZABAPFNSA-N CH$LINK: COMPTOX DTXSID4023098 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO002999.txt b/Keio_Univ/MSBNK-Keio_Univ-KO002999.txt index b754f9ff912..3eafdefd40b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO002999.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO002999.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO002999 -RECORD_TITLE: Glycyrrhizin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Glycyrrhizin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY LPLVUJXQOOQHMX-QWBHMCJMSA-N CH$LINK: COMPTOX DTXSID8047006 CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003000.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003000.txt index e7d7b6ffee3..9aca640c4b4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003000.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003000.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003000 -RECORD_TITLE: Glycyrrhizin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Glycyrrhizin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY LPLVUJXQOOQHMX-QWBHMCJMSA-N CH$LINK: COMPTOX DTXSID8047006 CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003001.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003001.txt index b3dd4e74d87..805642f3cbc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003001.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003001 -RECORD_TITLE: Glycyrrhizin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Glycyrrhizin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY LPLVUJXQOOQHMX-QWBHMCJMSA-N CH$LINK: COMPTOX DTXSID8047006 CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003002.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003002.txt index 22235cdedf4..2cfe0169643 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003002.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003002 -RECORD_TITLE: Glycyrrhizin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Glycyrrhizin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY LPLVUJXQOOQHMX-QWBHMCJMSA-N CH$LINK: COMPTOX DTXSID8047006 CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003003.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003003.txt index d8f0907f42c..1495937eed8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003003.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003003 -RECORD_TITLE: Glycyrrhizin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Glycyrrhizin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY LPLVUJXQOOQHMX-QWBHMCJMSA-N CH$LINK: COMPTOX DTXSID8047006 CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003004.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003004.txt index 070a1ada415..ed20be0d6d8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003004.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003004 -RECORD_TITLE: Glucosaminic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Glucosaminic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY UFYKDFXCZBTLOO-TXICZTDVSA-N CH$LINK: COMPTOX DTXSID60878848 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003005.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003005.txt index 5e38df97229..0faa8fbd0c9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003005.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003005 -RECORD_TITLE: Glucosaminic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Glucosaminic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY UFYKDFXCZBTLOO-TXICZTDVSA-N CH$LINK: COMPTOX DTXSID60878848 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003006.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003006.txt index bd7528c85b9..20e9300a2a6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003006.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003006.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003006 -RECORD_TITLE: Glucosaminic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Glucosaminic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY UFYKDFXCZBTLOO-TXICZTDVSA-N CH$LINK: COMPTOX DTXSID60878848 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003007.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003007.txt index 843695ee4c9..ab23d7f9d3f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003007.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003007 -RECORD_TITLE: Glucosaminic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Glucosaminic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY UFYKDFXCZBTLOO-TXICZTDVSA-N CH$LINK: COMPTOX DTXSID60878848 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003008.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003008.txt index e4ab94e86f0..c1f87f662a5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003008.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003008 -RECORD_TITLE: Glucosaminic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Glucosaminic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY UFYKDFXCZBTLOO-TXICZTDVSA-N CH$LINK: COMPTOX DTXSID60878848 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003009.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003009.txt index d665693076d..9fa578a592f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003009.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003009 -RECORD_TITLE: N-Glycolylneuraminic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: N-Glycolylneuraminic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:440001 CH$LINK: INCHIKEY FDJKUWYYUZCUJX-AJKRCSPLSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003010.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003010.txt index 83e8ccd31d0..cf2633cfc0c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003010.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003010.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003010 -RECORD_TITLE: N-Glycolylneuraminic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: N-Glycolylneuraminic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:440001 CH$LINK: INCHIKEY FDJKUWYYUZCUJX-AJKRCSPLSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003011.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003011.txt index 0f432dd74e7..9a5bfeb86ff 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003011.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003011.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003011 -RECORD_TITLE: N-Glycolylneuraminic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: N-Glycolylneuraminic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:440001 CH$LINK: INCHIKEY FDJKUWYYUZCUJX-AJKRCSPLSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003012.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003012.txt index 4c96f53684a..607cbfb7e87 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003012.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003012.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003012 -RECORD_TITLE: N-Glycolylneuraminic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: N-Glycolylneuraminic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:440001 CH$LINK: INCHIKEY FDJKUWYYUZCUJX-AJKRCSPLSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003013.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003013.txt index 5634d433111..cefb38371d8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003013.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003013.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003013 -RECORD_TITLE: N-Glycolylneuraminic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: N-Glycolylneuraminic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:440001 CH$LINK: INCHIKEY FDJKUWYYUZCUJX-AJKRCSPLSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003014.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003014.txt index a3f4bc96513..d2865da82cc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003014.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003014.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003014 -RECORD_TITLE: Galactosamine 1-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Galactosamine 1-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY YMJBYRVFGYXULK-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID30949296 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003015.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003015.txt index 3b063cd028f..5ecd5022e24 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003015.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003015.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003015 -RECORD_TITLE: Galactosamine 1-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Galactosamine 1-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY YMJBYRVFGYXULK-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID30949296 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003016.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003016.txt index f2e3b3d05c0..12fc4a41400 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003016.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003016.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003016 -RECORD_TITLE: Galactosamine 1-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Galactosamine 1-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY YMJBYRVFGYXULK-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID30949296 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003017.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003017.txt index 1fb51a153e8..b9d816d7c28 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003017.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003017.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003017 -RECORD_TITLE: Galactosamine 1-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Galactosamine 1-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY YMJBYRVFGYXULK-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID30949296 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003018.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003018.txt index 90178fe3efd..b26ca2f495e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003018.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003018.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003018 -RECORD_TITLE: Galactosamine 1-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Galactosamine 1-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY YMJBYRVFGYXULK-GASJEMHNSA-N CH$LINK: COMPTOX DTXSID30949296 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003019.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003019.txt index 976af99bcbc..11f9630d8ea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003019.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003019.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003019 -RECORD_TITLE: sn-Glycero-3-phosphocholine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: sn-Glycero-3-phosphocholine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439285 CH$LINK: INCHIKEY SUHOQUVVVLNYQR-MRVPVSSYSA-O CH$LINK: ChemOnt CHEMONTID:0002213; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003020.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003020.txt index a58081c3f5e..6914baf5c95 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003020.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003020.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003020 -RECORD_TITLE: sn-Glycero-3-phosphocholine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: sn-Glycero-3-phosphocholine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439285 CH$LINK: INCHIKEY SUHOQUVVVLNYQR-MRVPVSSYSA-O CH$LINK: ChemOnt CHEMONTID:0002213; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003021.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003021.txt index c2ab45e08b8..a06bc12376a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003021.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003021.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003021 -RECORD_TITLE: sn-Glycero-3-phosphocholine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: sn-Glycero-3-phosphocholine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439285 CH$LINK: INCHIKEY SUHOQUVVVLNYQR-MRVPVSSYSA-O CH$LINK: ChemOnt CHEMONTID:0002213; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003022.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003022.txt index 63cb7de2101..454095866cd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003022.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003022.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003022 -RECORD_TITLE: sn-Glycero-3-phosphocholine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: sn-Glycero-3-phosphocholine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439285 CH$LINK: INCHIKEY SUHOQUVVVLNYQR-MRVPVSSYSA-O CH$LINK: ChemOnt CHEMONTID:0002213; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003023.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003023.txt index 58be8fbf745..0a53d66584e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003023.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003023.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003023 -RECORD_TITLE: sn-Glycero-3-phosphocholine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: sn-Glycero-3-phosphocholine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439285 CH$LINK: INCHIKEY SUHOQUVVVLNYQR-MRVPVSSYSA-O CH$LINK: ChemOnt CHEMONTID:0002213; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003024.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003024.txt index 6df04f774c2..95d65dc4203 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003024.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003024.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003024 -RECORD_TITLE: Gly-Leu; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Gly-Leu; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:92843 CH$LINK: INCHIKEY DKEXFJVMVGETOO-LURJTMIESA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003025.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003025.txt index 8781803a5ec..96ddbd89148 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003025.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003025.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003025 -RECORD_TITLE: Gly-Leu; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Gly-Leu; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:92843 CH$LINK: INCHIKEY DKEXFJVMVGETOO-LURJTMIESA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003026.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003026.txt index fb222174802..27768c286f8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003026.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003026.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003026 -RECORD_TITLE: Gly-Leu; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Gly-Leu; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:92843 CH$LINK: INCHIKEY DKEXFJVMVGETOO-LURJTMIESA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003027.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003027.txt index 9383c537348..9572b799020 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003027.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003027.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003027 -RECORD_TITLE: Gly-Leu; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Gly-Leu; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:92843 CH$LINK: INCHIKEY DKEXFJVMVGETOO-LURJTMIESA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003028.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003028.txt index 7d6ef3e0ec6..11d90b55fb5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003028.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003028.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003028 -RECORD_TITLE: Gly-Leu; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Gly-Leu; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:92843 CH$LINK: INCHIKEY DKEXFJVMVGETOO-LURJTMIESA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003029.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003029.txt index c0384bc4e46..b84c2e7f106 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003029.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003029.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003029 -RECORD_TITLE: Glycerophosphate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Glycerophosphate; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY AWUCVROLDVIAJX-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID5048346 CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003030.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003030.txt index 62a43cc1191..964ff9e3e4d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003030.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003030.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003030 -RECORD_TITLE: Glycerophosphate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Glycerophosphate; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY AWUCVROLDVIAJX-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID5048346 CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003031.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003031.txt index e4114092c76..176ed3d18e4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003031.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003031.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003031 -RECORD_TITLE: Glycerophosphate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Glycerophosphate; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY AWUCVROLDVIAJX-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID5048346 CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003032.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003032.txt index 84ced93efce..330b29b6e9b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003032.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003032.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003032 -RECORD_TITLE: Glycerophosphate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Glycerophosphate; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY AWUCVROLDVIAJX-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID5048346 CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003033.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003033.txt index ed83b9700ea..1e4af0c1f34 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003033.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003033.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003033 -RECORD_TITLE: Glycerophosphate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Glycerophosphate; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY AWUCVROLDVIAJX-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID5048346 CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003034.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003034.txt index 9fbf18a2c6b..3fe1fbecf04 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003034.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003034.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003034 -RECORD_TITLE: Glycyrrhetinic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Glycyrrhetinic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY MPDGHEJMBKOTSU-YKLVYJNSSA-N CH$LINK: COMPTOX DTXSID9020669 CH$LINK: ChemOnt CHEMONTID:0001553; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003035.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003035.txt index eccb8bd24f7..7b55fea1e2f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003035.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003035.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003035 -RECORD_TITLE: Glycyrrhetinic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Glycyrrhetinic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY MPDGHEJMBKOTSU-YKLVYJNSSA-N CH$LINK: COMPTOX DTXSID9020669 CH$LINK: ChemOnt CHEMONTID:0001553; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003036.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003036.txt index 749bf3e7351..077b6ff870c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003036.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003036.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003036 -RECORD_TITLE: Glycyrrhetinic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Glycyrrhetinic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY MPDGHEJMBKOTSU-YKLVYJNSSA-N CH$LINK: COMPTOX DTXSID9020669 CH$LINK: ChemOnt CHEMONTID:0001553; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003037.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003037.txt index 66c32cbdc2d..1899c05f7be 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003037.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003037.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003037 -RECORD_TITLE: Glycyrrhetinic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Glycyrrhetinic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY MPDGHEJMBKOTSU-YKLVYJNSSA-N CH$LINK: COMPTOX DTXSID9020669 CH$LINK: ChemOnt CHEMONTID:0001553; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003038.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003038.txt index 9f7393d664e..f57e079a826 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003038.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003038.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003038 -RECORD_TITLE: Glycyrrhetinic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Glycyrrhetinic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY MPDGHEJMBKOTSU-YKLVYJNSSA-N CH$LINK: COMPTOX DTXSID9020669 CH$LINK: ChemOnt CHEMONTID:0001553; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003039.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003039.txt index 407d204210b..7aa4854dba8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003039.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003039.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003039 -RECORD_TITLE: Ganciclovir; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Ganciclovir; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY IRSCQMHQWWYFCW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8041032 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003040.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003040.txt index cba823e3a44..a49471af8df 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003040.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003040.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003040 -RECORD_TITLE: Ganciclovir; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Ganciclovir; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY IRSCQMHQWWYFCW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8041032 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003041.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003041.txt index ab7e29a8002..c1da21ea874 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003041.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003041.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003041 -RECORD_TITLE: Ganciclovir; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Ganciclovir; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY IRSCQMHQWWYFCW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8041032 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003042.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003042.txt index 884b87cbb39..a1e4cbd3a1e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003042.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003042.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003042 -RECORD_TITLE: Ganciclovir; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Ganciclovir; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY IRSCQMHQWWYFCW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8041032 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003043.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003043.txt index b707968d6c3..88b6fc2effc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003043.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003043.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003043 -RECORD_TITLE: Ganciclovir; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Ganciclovir; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY IRSCQMHQWWYFCW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8041032 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003044.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003044.txt index f47b31c1950..18cb25a081c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003044.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003044.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003044 -RECORD_TITLE: 2-Guanidinobenzimidazole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 2-Guanidinobenzimidazole; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JJWCTKUQWXYIIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6063858 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003045.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003045.txt index dbb79dc7a16..7f48e588ca5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003045.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003045.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003045 -RECORD_TITLE: 2-Guanidinobenzimidazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 2-Guanidinobenzimidazole; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JJWCTKUQWXYIIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6063858 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003046.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003046.txt index 1755d24ed1c..5e346873383 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003046.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003046.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003046 -RECORD_TITLE: 2-Guanidinobenzimidazole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 2-Guanidinobenzimidazole; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JJWCTKUQWXYIIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6063858 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003047.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003047.txt index 9bf37b8a114..32c151f86f9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003047.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003047.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003047 -RECORD_TITLE: 2-Guanidinobenzimidazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 2-Guanidinobenzimidazole; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JJWCTKUQWXYIIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6063858 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003048.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003048.txt index a0756195828..70772f96f66 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003048.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003048.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003048 -RECORD_TITLE: 2-Guanidinobenzimidazole; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 2-Guanidinobenzimidazole; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY JJWCTKUQWXYIIU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6063858 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003049.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003049.txt index fb9c8bee1ee..7ecbcb9bcf6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003049.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003049.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003049 -RECORD_TITLE: TRH; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: TRH; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY XNSAINXGIQZQOO-SRVKXCTJSA-N CH$LINK: COMPTOX DTXSID0023533 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003050.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003050.txt index d65cad36d0d..410e683e2d0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003050.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003050.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003050 -RECORD_TITLE: TRH; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: TRH; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY XNSAINXGIQZQOO-SRVKXCTJSA-N CH$LINK: COMPTOX DTXSID0023533 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003051.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003051.txt index d38513a5e19..8652a7a3522 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003051.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003051.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003051 -RECORD_TITLE: TRH; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: TRH; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY XNSAINXGIQZQOO-SRVKXCTJSA-N CH$LINK: COMPTOX DTXSID0023533 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003052.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003052.txt index c364b37b7a9..a194900189c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003052.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003052.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003052 -RECORD_TITLE: TRH; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: TRH; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY XNSAINXGIQZQOO-SRVKXCTJSA-N CH$LINK: COMPTOX DTXSID0023533 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003053.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003053.txt index 5c1a191f7c6..b8cbd6ce2db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003053.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003053.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003053 -RECORD_TITLE: TRH; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: TRH; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY XNSAINXGIQZQOO-SRVKXCTJSA-N CH$LINK: COMPTOX DTXSID0023533 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003054.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003054.txt index 498a66bd333..efc40fd00b9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003054.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003054.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003054 -RECORD_TITLE: L-Histidine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-Histidine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY HNDVDQJCIGZPNO-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023126 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003055.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003055.txt index c6cf271dcd7..f49f93025af 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003055.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003055.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003055 -RECORD_TITLE: L-Histidine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-Histidine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY HNDVDQJCIGZPNO-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023126 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003056.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003056.txt index e5d1d632ecb..2a4ad2a40b8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003056.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003056.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003056 -RECORD_TITLE: L-Histidine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-Histidine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY HNDVDQJCIGZPNO-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023126 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003057.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003057.txt index 9e2ca0920ea..74998ac056c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003057.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003057.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003057 -RECORD_TITLE: L-Histidine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-Histidine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY HNDVDQJCIGZPNO-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023126 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003058.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003058.txt index cffa84bf073..ae6fd3d81ef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003058.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003058.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003058 -RECORD_TITLE: L-Histidine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-Histidine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY HNDVDQJCIGZPNO-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023126 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003059.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003059.txt index d5f6bfd5502..5ba40464f01 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003059.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003059.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003059 -RECORD_TITLE: Homoserine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Homoserine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY UKAUYVFTDYCKQA-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5075159 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003060.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003060.txt index d004ccf0729..af2eaed0574 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003060.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003060.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003060 -RECORD_TITLE: Homoserine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Homoserine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY UKAUYVFTDYCKQA-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5075159 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003061.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003061.txt index 7dcb6c33317..e1280313e5f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003061.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003061.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003061 -RECORD_TITLE: Homoserine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Homoserine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY UKAUYVFTDYCKQA-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5075159 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003062.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003062.txt index 682ab4ee21a..6dcbfc7db2f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003062.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003062.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003062 -RECORD_TITLE: Homoserine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Homoserine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY UKAUYVFTDYCKQA-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5075159 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003063.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003063.txt index 04898cd15e8..95a5993c4cb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003063.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003063.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003063 -RECORD_TITLE: Hydroxyproline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Hydroxyproline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:440015 CH$LINK: INCHIKEY PMMYEEVYMWASQN-BKLSDQPFSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003064.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003064.txt index 25695b46489..37973f39edd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003064.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003064.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003064 -RECORD_TITLE: Hydroxyproline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Hydroxyproline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:440015 CH$LINK: INCHIKEY PMMYEEVYMWASQN-BKLSDQPFSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003065.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003065.txt index fbec88c204e..b710fa5af33 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003065.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003065.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003065 -RECORD_TITLE: Hydroxyproline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Hydroxyproline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:440015 CH$LINK: INCHIKEY PMMYEEVYMWASQN-BKLSDQPFSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003066.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003066.txt index aeff78ae8ca..c5d803f963c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003066.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003066.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003066 -RECORD_TITLE: Hydroxyproline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Hydroxyproline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:440015 CH$LINK: INCHIKEY PMMYEEVYMWASQN-BKLSDQPFSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003067.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003067.txt index ed4e04922e3..273020b69ea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003067.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003067.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003067 -RECORD_TITLE: Hydroxyproline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Hydroxyproline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:440015 CH$LINK: INCHIKEY PMMYEEVYMWASQN-BKLSDQPFSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003068.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003068.txt index f5972aafbc2..fbaa70987be 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003068.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003068.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003068 -RECORD_TITLE: L-Homocarnosine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-Homocarnosine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CCLQKVKJOGVQLU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID50942461 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003069.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003069.txt index c41f26c96ea..a222ff6e5aa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003069.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003069.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003069 -RECORD_TITLE: L-Homocarnosine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-Homocarnosine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CCLQKVKJOGVQLU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID50942461 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003070.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003070.txt index 0cc10e3a4a7..501f97cf06a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003070.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003070.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003070 -RECORD_TITLE: L-Homocarnosine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-Homocarnosine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CCLQKVKJOGVQLU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID50942461 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003071.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003071.txt index 476ae8db32f..8bd1309321e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003071.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003071.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003071 -RECORD_TITLE: L-Homocarnosine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-Homocarnosine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CCLQKVKJOGVQLU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID50942461 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003072.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003072.txt index 01db244464f..64aa5d62fc1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003072.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003072.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003072 -RECORD_TITLE: L-Homocarnosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-Homocarnosine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CCLQKVKJOGVQLU-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID50942461 CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003073.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003073.txt index 44602961a8b..5558838a8fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003073.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003073.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003073 -RECORD_TITLE: Hypoxanthine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Hypoxanthine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045983 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003074.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003074.txt index 0a56c2703ae..84aff853e49 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003074.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003074.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003074 -RECORD_TITLE: Hypoxanthine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Hypoxanthine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045983 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003075.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003075.txt index e6596cd32a0..a5c5b39ac73 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003075.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003075.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003075 -RECORD_TITLE: Hypoxanthine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Hypoxanthine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045983 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003076.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003076.txt index 30fd85c0cf9..7300b4b320e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003076.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003076.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003076 -RECORD_TITLE: Hypoxanthine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Hypoxanthine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045983 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003077.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003077.txt index 73760314dcf..d51c2df3579 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003077.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003077.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003077 -RECORD_TITLE: Hypoxanthine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Hypoxanthine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8045983 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003078.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003078.txt index 566ee6ed197..bb6fdaf709c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003078.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003078.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003078 -RECORD_TITLE: 6-Hydroxynicotinic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 6-Hydroxynicotinic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY BLHCMGRVFXRYRN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0057754 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003079.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003079.txt index f09ccdc2947..7b786c3b0c2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003079.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003079.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003079 -RECORD_TITLE: 6-Hydroxynicotinic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 6-Hydroxynicotinic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY BLHCMGRVFXRYRN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0057754 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003080.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003080.txt index 0f55ff4ce87..52857fe7b54 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003080.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003080.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003080 -RECORD_TITLE: 6-Hydroxynicotinic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 6-Hydroxynicotinic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY BLHCMGRVFXRYRN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0057754 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003081.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003081.txt index 588202b9260..5f6223116d7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003081.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003081.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003081 -RECORD_TITLE: 6-Hydroxynicotinic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 6-Hydroxynicotinic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY BLHCMGRVFXRYRN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0057754 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003082.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003082.txt index 3c13a6a1d41..90dafbbe009 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003082.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003082.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003082 -RECORD_TITLE: 6-Hydroxynicotinic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 6-Hydroxynicotinic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY BLHCMGRVFXRYRN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0057754 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003083.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003083.txt index aaa4850f267..a3253ad9ba2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003083.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003083.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003083 -RECORD_TITLE: Hypotaurine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Hypotaurine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY VVIUBCNYACGLLV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075380 CH$LINK: ChemOnt CHEMONTID:0001269; Organic compounds; Organic acids and derivatives; Sulfinic acids and derivatives; Sulfinic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003084.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003084.txt index a2d85231f79..d98a63c058b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003084.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003084.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003084 -RECORD_TITLE: Hypotaurine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Hypotaurine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY VVIUBCNYACGLLV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075380 CH$LINK: ChemOnt CHEMONTID:0001269; Organic compounds; Organic acids and derivatives; Sulfinic acids and derivatives; Sulfinic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003085.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003085.txt index c415874c0c6..46a0e22a8c1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003085.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003085.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003085 -RECORD_TITLE: Hypotaurine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Hypotaurine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY VVIUBCNYACGLLV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075380 CH$LINK: ChemOnt CHEMONTID:0001269; Organic compounds; Organic acids and derivatives; Sulfinic acids and derivatives; Sulfinic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003086.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003086.txt index e74d9254821..87c60769561 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003086.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003086.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003086 -RECORD_TITLE: Hypotaurine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Hypotaurine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY VVIUBCNYACGLLV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075380 CH$LINK: ChemOnt CHEMONTID:0001269; Organic compounds; Organic acids and derivatives; Sulfinic acids and derivatives; Sulfinic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003087.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003087.txt index d578afed477..9aca8eac119 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003087.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003087.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003087 -RECORD_TITLE: Hypotaurine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Hypotaurine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY VVIUBCNYACGLLV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075380 CH$LINK: ChemOnt CHEMONTID:0001269; Organic compounds; Organic acids and derivatives; Sulfinic acids and derivatives; Sulfinic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003088.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003088.txt index b12ccc2a6fc..fb520c8d274 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003088.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003088.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003088 -RECORD_TITLE: 2-Hydroxypyridine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 2-Hydroxypyridine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY UBQKCCHYAOITMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2051716 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003089.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003089.txt index 46ef1a35626..362d70df94c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003089.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003089.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003089 -RECORD_TITLE: 2-Hydroxypyridine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 2-Hydroxypyridine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY UBQKCCHYAOITMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2051716 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003090.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003090.txt index 8880d68d841..31d2a43b103 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003090.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003090.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003090 -RECORD_TITLE: 2-Hydroxypyridine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 2-Hydroxypyridine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY UBQKCCHYAOITMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2051716 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003091.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003091.txt index 5901e345d8c..e290244a9f3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003091.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003091.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003091 -RECORD_TITLE: 2-Hydroxypyridine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 2-Hydroxypyridine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY UBQKCCHYAOITMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2051716 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003092.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003092.txt index b983bdb0a4b..5dc9aa92f0f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003092.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003092.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003092 -RECORD_TITLE: 2-Hydroxypyridine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 2-Hydroxypyridine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY UBQKCCHYAOITMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2051716 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003093.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003093.txt index c1ec28af6d4..0b420bca451 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003093.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003093.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003093 -RECORD_TITLE: Imidazole-4-methanol; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Imidazole-4-methanol; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY QDYTUZCWBJRHKK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40231619 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003094.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003094.txt index 8253820e153..6340442c1af 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003094.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003094.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003094 -RECORD_TITLE: Imidazole-4-methanol; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Imidazole-4-methanol; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY QDYTUZCWBJRHKK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40231619 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003095.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003095.txt index 6291545c4d5..cc61e0e6043 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003095.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003095.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003095 -RECORD_TITLE: Imidazole-4-methanol; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Imidazole-4-methanol; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY QDYTUZCWBJRHKK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40231619 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003096.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003096.txt index 23cb33ae909..4c4baaae396 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003096.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003096.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003096 -RECORD_TITLE: Imidazole-4-methanol; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Imidazole-4-methanol; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY QDYTUZCWBJRHKK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40231619 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003097.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003097.txt index 3577c558c34..266ccce1c2f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003097.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003097.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003097 -RECORD_TITLE: Imidazole-4-methanol; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Imidazole-4-methanol; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY QDYTUZCWBJRHKK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40231619 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003098.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003098.txt index f70e290d987..c9873a92c4f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003098.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003098.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003098 -RECORD_TITLE: Harmaline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Harmaline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:3564 CH$LINK: INCHIKEY RERZNCLIYCABFS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001140; Organic compounds; Alkaloids and derivatives; Harmala alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003099.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003099.txt index d40c7b50953..81239dae81c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003099.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003099.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003099 -RECORD_TITLE: Harmaline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Harmaline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:3564 CH$LINK: INCHIKEY RERZNCLIYCABFS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001140; Organic compounds; Alkaloids and derivatives; Harmala alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003100.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003100.txt index 4a423254125..a308604a2bf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003100.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003100.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003100 -RECORD_TITLE: Harmaline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Harmaline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:3564 CH$LINK: INCHIKEY RERZNCLIYCABFS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001140; Organic compounds; Alkaloids and derivatives; Harmala alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003101.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003101.txt index cd3d0054a28..9d29dc5cf15 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003101.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003101 -RECORD_TITLE: Harmaline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Harmaline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:3564 CH$LINK: INCHIKEY RERZNCLIYCABFS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001140; Organic compounds; Alkaloids and derivatives; Harmala alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003102.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003102.txt index 07c58df6220..80c9cd0080e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003102.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003102 -RECORD_TITLE: Harmaline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Harmaline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:3564 CH$LINK: INCHIKEY RERZNCLIYCABFS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001140; Organic compounds; Alkaloids and derivatives; Harmala alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003103.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003103.txt index 33ab2d110de..58344389d76 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003103.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003103 -RECORD_TITLE: Harman; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Harman; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PSFDQSOCUJVVGF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80197568 CH$LINK: ChemOnt CHEMONTID:0001140; Organic compounds; Alkaloids and derivatives; Harmala alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003104.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003104.txt index 2611a816b65..1fceff6b9e5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003104.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003104 -RECORD_TITLE: Harman; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Harman; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PSFDQSOCUJVVGF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80197568 CH$LINK: ChemOnt CHEMONTID:0001140; Organic compounds; Alkaloids and derivatives; Harmala alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003105.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003105.txt index 1e0efc3aef7..76cbe820117 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003105.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003105 -RECORD_TITLE: Harman; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Harman; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PSFDQSOCUJVVGF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80197568 CH$LINK: ChemOnt CHEMONTID:0001140; Organic compounds; Alkaloids and derivatives; Harmala alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003106.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003106.txt index e9a426f5fbb..afe554ab938 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003106.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003106 -RECORD_TITLE: Harman; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Harman; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PSFDQSOCUJVVGF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80197568 CH$LINK: ChemOnt CHEMONTID:0001140; Organic compounds; Alkaloids and derivatives; Harmala alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003107.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003107.txt index 4627df141cc..9f2d3f27ae4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003107.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003107 -RECORD_TITLE: Harman; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Harman; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PSFDQSOCUJVVGF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80197568 CH$LINK: ChemOnt CHEMONTID:0001140; Organic compounds; Alkaloids and derivatives; Harmala alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003108.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003108.txt index 1478360b78b..4341b8e9427 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003108.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003108 -RECORD_TITLE: Hyoscyamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Hyoscyamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:154417 CH$LINK: INCHIKEY RKUNBYITZUJHSG-QKPAOTATSA-N CH$LINK: ChemOnt CHEMONTID:0000492; Organic compounds; Alkaloids and derivatives; Tropane alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003109.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003109.txt index 98b52ce069c..3dc3a4557ad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003109.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003109 -RECORD_TITLE: Hyoscyamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Hyoscyamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:154417 CH$LINK: INCHIKEY RKUNBYITZUJHSG-QKPAOTATSA-N CH$LINK: ChemOnt CHEMONTID:0000492; Organic compounds; Alkaloids and derivatives; Tropane alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003110.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003110.txt index 33c2fb677a7..4423bac29fb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003110.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003110.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003110 -RECORD_TITLE: Hyoscyamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Hyoscyamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:154417 CH$LINK: INCHIKEY RKUNBYITZUJHSG-QKPAOTATSA-N CH$LINK: ChemOnt CHEMONTID:0000492; Organic compounds; Alkaloids and derivatives; Tropane alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003111.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003111.txt index 4e7e0314879..0b3cafaa597 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003111.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003111.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003111 -RECORD_TITLE: Hyoscyamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Hyoscyamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:154417 CH$LINK: INCHIKEY RKUNBYITZUJHSG-QKPAOTATSA-N CH$LINK: ChemOnt CHEMONTID:0000492; Organic compounds; Alkaloids and derivatives; Tropane alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003112.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003112.txt index 99679bee0bb..be4675fedf7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003112.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003112.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003112 -RECORD_TITLE: Hyoscyamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Hyoscyamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:154417 CH$LINK: INCHIKEY RKUNBYITZUJHSG-QKPAOTATSA-N CH$LINK: ChemOnt CHEMONTID:0000492; Organic compounds; Alkaloids and derivatives; Tropane alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003113.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003113.txt index af57703fb28..d90d749cfd6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003113.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003113.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003113 -RECORD_TITLE: cis-4-Hydroxyproline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: cis-4-Hydroxyproline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PMMYEEVYMWASQN-QWWZWVQMSA-N CH$LINK: COMPTOX DTXSID20180494 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003114.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003114.txt index 1aa166deaa0..5f757cacd71 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003114.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003114.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003114 -RECORD_TITLE: cis-4-Hydroxyproline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: cis-4-Hydroxyproline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PMMYEEVYMWASQN-QWWZWVQMSA-N CH$LINK: COMPTOX DTXSID20180494 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003115.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003115.txt index b6f0d18b501..162ed8ab589 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003115.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003115.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003115 -RECORD_TITLE: cis-4-Hydroxyproline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: cis-4-Hydroxyproline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PMMYEEVYMWASQN-QWWZWVQMSA-N CH$LINK: COMPTOX DTXSID20180494 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003116.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003116.txt index b01cd4bd63b..85d30c18263 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003116.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003116.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003116 -RECORD_TITLE: cis-4-Hydroxyproline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: cis-4-Hydroxyproline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PMMYEEVYMWASQN-QWWZWVQMSA-N CH$LINK: COMPTOX DTXSID20180494 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003117.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003117.txt index fedf90a309f..f0d7c8bb26e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003117.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003117.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003117 -RECORD_TITLE: cis-4-Hydroxyproline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: cis-4-Hydroxyproline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PMMYEEVYMWASQN-QWWZWVQMSA-N CH$LINK: COMPTOX DTXSID20180494 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003118.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003118.txt index e199e931df9..634220f4f8b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003118.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003118.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003118 -RECORD_TITLE: 3-Hydroxy-DL-kynurenine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 3-Hydroxy-DL-kynurenine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:89 CH$LINK: INCHIKEY VCKPUUFAIGNJHC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003119.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003119.txt index 8652bd08848..2858dea6a42 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003119.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003119.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003119 -RECORD_TITLE: 3-Hydroxy-DL-kynurenine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 3-Hydroxy-DL-kynurenine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:89 CH$LINK: INCHIKEY VCKPUUFAIGNJHC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003120.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003120.txt index 4f4aadf1cb9..a004064cf9c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003120.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003120.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003120 -RECORD_TITLE: 3-Hydroxy-DL-kynurenine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 3-Hydroxy-DL-kynurenine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:89 CH$LINK: INCHIKEY VCKPUUFAIGNJHC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003121.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003121.txt index 170bff70050..da3ebae3c6a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003121.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003121.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003121 -RECORD_TITLE: 3-Hydroxy-DL-kynurenine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 3-Hydroxy-DL-kynurenine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:89 CH$LINK: INCHIKEY VCKPUUFAIGNJHC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003122.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003122.txt index 2b23de9bf56..21bdf438a5e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003122.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003122.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003122 -RECORD_TITLE: 3-Hydroxy-DL-kynurenine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 3-Hydroxy-DL-kynurenine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:89 CH$LINK: INCHIKEY VCKPUUFAIGNJHC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003123.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003123.txt index 36593ecd7b8..2045cc97a75 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003123.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003123.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003123 -RECORD_TITLE: 5-Hydroxyindoleacetic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 5-Hydroxyindoleacetic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50861582 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003124.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003124.txt index 12dbdac37a3..6fbae6bb338 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003124.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003124.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003124 -RECORD_TITLE: 5-Hydroxyindoleacetic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 5-Hydroxyindoleacetic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50861582 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003125.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003125.txt index dd8c2f4014f..7c6b354762d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003125.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003125.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003125 -RECORD_TITLE: 5-Hydroxyindoleacetic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 5-Hydroxyindoleacetic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50861582 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003126.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003126.txt index a891bd766e2..ed818992f2e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003126.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003126.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003126 -RECORD_TITLE: 5-Hydroxyindoleacetic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 5-Hydroxyindoleacetic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50861582 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003127.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003127.txt index 554c426d4e0..7e5f165a32f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003127.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003127.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003127 -RECORD_TITLE: 5-Hydroxyindoleacetic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 5-Hydroxyindoleacetic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50861582 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003128.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003128.txt index 067a7aaec78..4114136bbd7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003128.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003128.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003128 -RECORD_TITLE: Histamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Histamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY NTYJJOPFIAHURM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023125 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003129.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003129.txt index 277be137717..c3f51099cf6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003129.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003129.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003129 -RECORD_TITLE: Histamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Histamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY NTYJJOPFIAHURM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023125 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003130.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003130.txt index 9b65c4e6a9b..b5644b50362 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003130.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003130.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003130 -RECORD_TITLE: Histamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Histamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY NTYJJOPFIAHURM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023125 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003131.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003131.txt index 7032ddc5876..66ee4e2b370 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003131.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003131.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003131 -RECORD_TITLE: Histamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Histamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY NTYJJOPFIAHURM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023125 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003132.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003132.txt index 4ecc0b50d96..ad4ddcb3c52 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003132.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003132.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003132 -RECORD_TITLE: Histamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Histamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY NTYJJOPFIAHURM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023125 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003133.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003133.txt index 57f9539009e..415852dc700 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003133.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003133.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003133 -RECORD_TITLE: 5-Hydroxylysine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 5-Hydroxylysine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:3032849 CH$LINK: INCHIKEY YSMODUONRAFBET-UHNVWZDZSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003134.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003134.txt index 071db943a9f..998561d03c4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003134.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003134.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003134 -RECORD_TITLE: 5-Hydroxylysine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 5-Hydroxylysine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:3032849 CH$LINK: INCHIKEY YSMODUONRAFBET-UHNVWZDZSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003135.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003135.txt index bffcca7aa34..bf8d380f6d4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003135.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003135.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003135 -RECORD_TITLE: 5-Hydroxylysine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 5-Hydroxylysine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:3032849 CH$LINK: INCHIKEY YSMODUONRAFBET-UHNVWZDZSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003136.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003136.txt index 6f72c5f93bc..52a2e2ee2e2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003136.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003136.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003136 -RECORD_TITLE: 5-Hydroxylysine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 5-Hydroxylysine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:3032849 CH$LINK: INCHIKEY YSMODUONRAFBET-UHNVWZDZSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003137.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003137.txt index aaf72f9a888..8873fdc7d52 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003137.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003137.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003137 -RECORD_TITLE: 5-Hydroxylysine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 5-Hydroxylysine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:3032849 CH$LINK: INCHIKEY YSMODUONRAFBET-UHNVWZDZSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003138.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003138.txt index b1595a732fc..c84e13818a5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003138.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003138.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003138 -RECORD_TITLE: Histidinol; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Histidinol; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY ZQISRDCJNBUVMM-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID50863460 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003139.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003139.txt index e0cc02f9563..9a2d9fa1032 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003139.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003139.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003139 -RECORD_TITLE: Histidinol; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Histidinol; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY ZQISRDCJNBUVMM-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID50863460 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003140.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003140.txt index 64791a3d1f3..579f8921f7a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003140.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003140.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003140 -RECORD_TITLE: Histidinol; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Histidinol; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY ZQISRDCJNBUVMM-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID50863460 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003141.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003141.txt index 5f80d27c7ae..191ecbda6d1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003141.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003141.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003141 -RECORD_TITLE: Histidinol; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Histidinol; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY ZQISRDCJNBUVMM-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID50863460 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003142.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003142.txt index 930d0d51fb7..f5773faf038 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003142.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003142.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003142 -RECORD_TITLE: Histidinol; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Histidinol; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY ZQISRDCJNBUVMM-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID50863460 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003143.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003143.txt index 28fdd79f188..3349445b4cb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003143.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003143.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003143 -RECORD_TITLE: Homoarginine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Homoarginine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QUOGESRFPZDMMT-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70926980 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003144.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003144.txt index fd9389d00d0..f4e306bf0f2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003144.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003144.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003144 -RECORD_TITLE: Homoarginine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Homoarginine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QUOGESRFPZDMMT-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70926980 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003145.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003145.txt index f4df63f83fb..37ba200d95f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003145.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003145.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003145 -RECORD_TITLE: Homoarginine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Homoarginine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QUOGESRFPZDMMT-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70926980 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003146.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003146.txt index d42b43f3cb1..5578ac242a8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003146.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003146.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003146 -RECORD_TITLE: Homoarginine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Homoarginine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QUOGESRFPZDMMT-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70926980 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003147.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003147.txt index 572989a0335..1114cfd3ff1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003147.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003147.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003147 -RECORD_TITLE: Homoarginine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Homoarginine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QUOGESRFPZDMMT-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70926980 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003148.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003148.txt index 964940262c6..5651547dbb7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003148.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003148.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003148 -RECORD_TITLE: Dopamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Dopamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003149.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003149.txt index 1feceee8085..0d4fb452707 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003149.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003149.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003149 -RECORD_TITLE: Dopamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Dopamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003150.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003150.txt index 5816be928d0..663d2994d06 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003150.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003150.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003150 -RECORD_TITLE: Dopamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Dopamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003151.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003151.txt index 61e639e7d49..6eb6276a108 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003151.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003151.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003151 -RECORD_TITLE: Dopamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Dopamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003152.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003152.txt index 3b377a479e5..94a7a13b969 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003152.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003152.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003152 -RECORD_TITLE: Dopamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Dopamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY VYFYYTLLBUKUHU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022420 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003153.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003153.txt index e3a5879e090..6b177a1c13b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003153.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003153.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003153 -RECORD_TITLE: Eflornithine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Eflornithine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY VLCYCQAOQCDTCN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020467 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003154.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003154.txt index d6f510b0ad8..a982f505140 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003154.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003154.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003154 -RECORD_TITLE: Eflornithine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Eflornithine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY VLCYCQAOQCDTCN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020467 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003155.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003155.txt index a7344b3d50a..3a0d67d8586 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003155.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003155.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003155 -RECORD_TITLE: Eflornithine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Eflornithine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY VLCYCQAOQCDTCN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020467 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003156.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003156.txt index 8e9f2206509..8aa3f383168 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003156.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003156.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003156 -RECORD_TITLE: Eflornithine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Eflornithine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY VLCYCQAOQCDTCN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020467 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003157.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003157.txt index ca0b8c1b89d..118e4825b76 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003157.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003157.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003157 -RECORD_TITLE: Eflornithine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Eflornithine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY VLCYCQAOQCDTCN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020467 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003158.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003158.txt index 6096218edab..7ea322c9dd2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003158.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003158.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003158 -RECORD_TITLE: Hydroxyurea; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Hydroxyurea; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY VSNHCAURESNICA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6025438 CH$LINK: ChemOnt CHEMONTID:0002285; Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003159.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003159.txt index 788389780aa..612b40b0619 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003159.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003159.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003159 -RECORD_TITLE: Hydroxyurea; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Hydroxyurea; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY VSNHCAURESNICA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6025438 CH$LINK: ChemOnt CHEMONTID:0002285; Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003160.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003160.txt index 63016305537..6ce8121160d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003160.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003160.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003160 -RECORD_TITLE: Hydroxyurea; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Hydroxyurea; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY VSNHCAURESNICA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6025438 CH$LINK: ChemOnt CHEMONTID:0002285; Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003161.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003161.txt index 7a88bb65134..9b80a42e0fb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003161.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003161.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003161 -RECORD_TITLE: Hydroxyurea; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Hydroxyurea; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY VSNHCAURESNICA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6025438 CH$LINK: ChemOnt CHEMONTID:0002285; Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003162.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003162.txt index e207905b699..012eda6cf50 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003162.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003162.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003162 -RECORD_TITLE: Methenamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Methenamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY VKYKSIONXSXAKP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6020692 CH$LINK: ChemOnt CHEMONTID:0002798; Organic compounds; Organoheterocyclic compounds; Triazinanes; 1,3,5-triazinanes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003163.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003163.txt index b871721c66c..08d3e4b7347 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003163.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003163.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003163 -RECORD_TITLE: Methenamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Methenamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY VKYKSIONXSXAKP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6020692 CH$LINK: ChemOnt CHEMONTID:0002798; Organic compounds; Organoheterocyclic compounds; Triazinanes; 1,3,5-triazinanes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003164.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003164.txt index 5dc332fabc7..d4b88155ec2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003164.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003164.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003164 -RECORD_TITLE: Methenamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Methenamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY VKYKSIONXSXAKP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6020692 CH$LINK: ChemOnt CHEMONTID:0002798; Organic compounds; Organoheterocyclic compounds; Triazinanes; 1,3,5-triazinanes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003165.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003165.txt index 9b84dbc7eaa..d3976eb25c8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003165.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003165.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003165 -RECORD_TITLE: Methenamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Methenamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY VKYKSIONXSXAKP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6020692 CH$LINK: ChemOnt CHEMONTID:0002798; Organic compounds; Organoheterocyclic compounds; Triazinanes; 1,3,5-triazinanes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003166.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003166.txt index d4112180e41..fc05e319427 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003166.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003166.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003166 -RECORD_TITLE: Methenamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Methenamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY VKYKSIONXSXAKP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6020692 CH$LINK: ChemOnt CHEMONTID:0002798; Organic compounds; Organoheterocyclic compounds; Triazinanes; 1,3,5-triazinanes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003167.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003167.txt index 2e6339a2aa2..acbc549ddba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003167.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003167.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003167 -RECORD_TITLE: 4-Hydroxyquinoline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 4-Hydroxyquinoline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PMZDQRJGMBOQBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50209980 CH$LINK: ChemOnt CHEMONTID:0000056; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003168.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003168.txt index 6452aed068c..a4dcd73bc20 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003168.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003168.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003168 -RECORD_TITLE: 4-Hydroxyquinoline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 4-Hydroxyquinoline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PMZDQRJGMBOQBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50209980 CH$LINK: ChemOnt CHEMONTID:0000056; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003169.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003169.txt index eb693abfa02..a80afe562ea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003169.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003169.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003169 -RECORD_TITLE: 4-Hydroxyquinoline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 4-Hydroxyquinoline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PMZDQRJGMBOQBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50209980 CH$LINK: ChemOnt CHEMONTID:0000056; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003170.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003170.txt index 11f2b34dd53..9bc4e4901e8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003170.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003170.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003170 -RECORD_TITLE: 4-Hydroxyquinoline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 4-Hydroxyquinoline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PMZDQRJGMBOQBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50209980 CH$LINK: ChemOnt CHEMONTID:0000056; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003171.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003171.txt index 50006454c00..4751276c125 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003171.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003171.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003171 -RECORD_TITLE: 4-Hydroxyquinoline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 4-Hydroxyquinoline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PMZDQRJGMBOQBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50209980 CH$LINK: ChemOnt CHEMONTID:0000056; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003172.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003172.txt index e1edb203891..621984cf3c5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003172.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003172.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003172 -RECORD_TITLE: L-Isoleucine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-Isoleucine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AGPKZVBTJJNPAG-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID1047441 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003173.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003173.txt index cebb3e90f14..9c57ed2ddf1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003173.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003173.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003173 -RECORD_TITLE: L-Isoleucine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-Isoleucine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AGPKZVBTJJNPAG-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID1047441 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003174.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003174.txt index 9366d9654ce..6ce26719b48 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003174.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003174.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003174 -RECORD_TITLE: L-Isoleucine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-Isoleucine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AGPKZVBTJJNPAG-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID1047441 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003175.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003175.txt index 04d50d0b600..81a6068ce33 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003175.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003175.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003175 -RECORD_TITLE: L-Isoleucine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-Isoleucine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AGPKZVBTJJNPAG-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID1047441 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003176.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003176.txt index 34f538a4af5..ca839a6a1d9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003176.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003176.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003176 -RECORD_TITLE: L-Isoleucine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-Isoleucine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AGPKZVBTJJNPAG-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID1047441 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003177.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003177.txt index a90dd29b992..d21da3ac620 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003177.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003177.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003177 -RECORD_TITLE: Isopropanolamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Isopropanolamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:439938 CH$LINK: INCHIKEY HXKKHQJGJAFBHI-GSVOUGTGSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003178.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003178.txt index 99f6e4486ec..b746a22218b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003178.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003178.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003178 -RECORD_TITLE: Isopropanolamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Isopropanolamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:439938 CH$LINK: INCHIKEY HXKKHQJGJAFBHI-GSVOUGTGSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003179.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003179.txt index 052fcb23e08..cb06447a114 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003179.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003179.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003179 -RECORD_TITLE: Isopropanolamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Isopropanolamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:439938 CH$LINK: INCHIKEY HXKKHQJGJAFBHI-GSVOUGTGSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003180.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003180.txt index f3b76f69f8b..a8860f28d30 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003180.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003180.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003180 -RECORD_TITLE: Isopropanolamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Isopropanolamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:439938 CH$LINK: INCHIKEY HXKKHQJGJAFBHI-GSVOUGTGSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003181.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003181.txt index 5ba14b5575e..8514d7a3878 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003181.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003181.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003181 -RECORD_TITLE: Isopropanolamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Isopropanolamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:439938 CH$LINK: INCHIKEY HXKKHQJGJAFBHI-GSVOUGTGSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003182.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003182.txt index 7a11d2e61bf..f4602b5182c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003182.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003182.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003182 -RECORD_TITLE: Imidazole-4-acetate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Imidazole-4-acetate; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PRJKNHOMHKJCEJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50214751 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003183.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003183.txt index b25bd864401..a3e4d3f9680 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003183.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003183.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003183 -RECORD_TITLE: Imidazole-4-acetate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Imidazole-4-acetate; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PRJKNHOMHKJCEJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50214751 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003184.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003184.txt index 0fbb6872eb1..cb1e28a773f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003184.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003184.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003184 -RECORD_TITLE: Imidazole-4-acetate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Imidazole-4-acetate; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PRJKNHOMHKJCEJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50214751 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003185.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003185.txt index d269719fd55..3b7b9e5fd47 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003185.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003185.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003185 -RECORD_TITLE: Imidazole-4-acetate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Imidazole-4-acetate; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PRJKNHOMHKJCEJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50214751 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003186.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003186.txt index 26bcc3c8c96..723f459c329 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003186.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003186.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003186 -RECORD_TITLE: Imidazole-4-acetate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Imidazole-4-acetate; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PRJKNHOMHKJCEJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50214751 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003187.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003187.txt index ffed162e2fe..12c96ed0c83 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003187.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003187.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003187 -RECORD_TITLE: Isoguvacine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Isoguvacine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY CSDPVAKVEWETFG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50952722 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003188.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003188.txt index f3bb3340308..4517e663883 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003188.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003188.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003188 -RECORD_TITLE: Isoguvacine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Isoguvacine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY KRVDMABBKYMBHG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30214855 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003189.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003189.txt index 4535f07c729..2c31312346a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003189.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003189.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003189 -RECORD_TITLE: Isoguvacine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Isoguvacine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY KRVDMABBKYMBHG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30214855 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003190.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003190.txt index e483d728658..e56228e8e0e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003190.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003190.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003190 -RECORD_TITLE: Isoguvacine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Isoguvacine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY KRVDMABBKYMBHG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30214855 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003191.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003191.txt index 3ae8d551b14..401ee939cec 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003191.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003191.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003191 -RECORD_TITLE: Isoguvacine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Isoguvacine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY KRVDMABBKYMBHG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30214855 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003192.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003192.txt index a5035f419a9..47f10641127 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003192.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003192.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003192 -RECORD_TITLE: Isonicotinic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Isonicotinic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY TWBYWOBDOCUKOW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020757 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003193.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003193.txt index fd4767c88a9..3c424186aae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003193.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003193.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003193 -RECORD_TITLE: Isonicotinic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Isonicotinic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY TWBYWOBDOCUKOW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020757 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003194.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003194.txt index a075303d6bb..cd5b0c86adb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003194.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003194.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003194 -RECORD_TITLE: Isonicotinic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Isonicotinic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY TWBYWOBDOCUKOW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020757 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003195.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003195.txt index 6fac9381230..e20cd70d4d1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003195.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003195.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003195 -RECORD_TITLE: Isonicotinic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Isonicotinic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY TWBYWOBDOCUKOW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020757 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003196.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003196.txt index afcaea3a48a..1b180a4d69a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003196.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003196.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003196 -RECORD_TITLE: Isonicotinic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Isonicotinic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY TWBYWOBDOCUKOW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020757 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003197.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003197.txt index 2b8d1d0f6d5..f41261d37aa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003197.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003197.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003197 -RECORD_TITLE: Isatin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Isatin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JXDYKVIHCLTXOP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3038694 CH$LINK: ChemOnt CHEMONTID:0001146; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003198.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003198.txt index 45fd3f23e23..6246faadcf2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003198.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003198.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003198 -RECORD_TITLE: Isatin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Isatin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JXDYKVIHCLTXOP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3038694 CH$LINK: ChemOnt CHEMONTID:0001146; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003199.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003199.txt index c43a6fa4771..2082fe870a4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003199.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003199.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003199 -RECORD_TITLE: Isatin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Isatin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JXDYKVIHCLTXOP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3038694 CH$LINK: ChemOnt CHEMONTID:0001146; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003200.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003200.txt index fbdd102dbaf..88da03eff76 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003200.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003200.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003200 -RECORD_TITLE: Isatin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Isatin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JXDYKVIHCLTXOP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3038694 CH$LINK: ChemOnt CHEMONTID:0001146; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003201.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003201.txt index 3b3f19bace0..8d1e6eee699 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003201.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003201 -RECORD_TITLE: Isatin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Isatin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JXDYKVIHCLTXOP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3038694 CH$LINK: ChemOnt CHEMONTID:0001146; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003202.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003202.txt index 49d0f5b5de6..481bae16f70 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003202.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003202 -RECORD_TITLE: 3-Indoleacetonitrile; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 3-Indoleacetonitrile; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DMCPFOBLJMLSNX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061118 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003203.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003203.txt index 286ec9b7df9..c0698944dc8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003203.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003203 -RECORD_TITLE: 3-Indoleacetonitrile; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 3-Indoleacetonitrile; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DMCPFOBLJMLSNX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061118 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003204.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003204.txt index b3701c9e8e9..fdd4fa6a62c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003204.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003204 -RECORD_TITLE: 3-Indoleacetonitrile; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 3-Indoleacetonitrile; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DMCPFOBLJMLSNX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061118 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003205.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003205.txt index 049791bd8a9..ba075e231dd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003205.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003205 -RECORD_TITLE: 3-Indoleacetonitrile; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 3-Indoleacetonitrile; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DMCPFOBLJMLSNX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061118 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003206.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003206.txt index f22bba2729e..ac912a85a33 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003206.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003206 -RECORD_TITLE: 3-Indoleacetonitrile; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 3-Indoleacetonitrile; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DMCPFOBLJMLSNX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061118 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003207.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003207.txt index e21e26cd0d5..0c430485acc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003207.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003207 -RECORD_TITLE: 3-Indolebutyric acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 3-Indolebutyric acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY JTEDVYBZBROSJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8032623 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003208.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003208.txt index d921850a1ee..e42d523064b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003208.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003208 -RECORD_TITLE: 3-Indolebutyric acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 3-Indolebutyric acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY JTEDVYBZBROSJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8032623 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003209.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003209.txt index 55ceeece6b3..02312f7ff8a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003209.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003209 -RECORD_TITLE: 3-Indolebutyric acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 3-Indolebutyric acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY JTEDVYBZBROSJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8032623 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003210.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003210.txt index 5d1c0a45f48..b270adbf35c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003210.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003210.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003210 -RECORD_TITLE: 3-Indolebutyric acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 3-Indolebutyric acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY JTEDVYBZBROSJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8032623 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003211.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003211.txt index b13a60b6f0a..bc166e2988d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003211.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003211.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003211 -RECORD_TITLE: 3-Indolebutyric acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 3-Indolebutyric acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY JTEDVYBZBROSJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8032623 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003212.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003212.txt index e2ed702e050..1675e9302ca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003212.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003212.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003212 -RECORD_TITLE: Indoleacetic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Indoleacetic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020738 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003213.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003213.txt index 6528cc42705..30d7560ad0b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003213.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003213.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003213 -RECORD_TITLE: Indoleacetic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Indoleacetic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020738 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003214.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003214.txt index 92dce80c56b..caaa6c61d5b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003214.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003214.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003214 -RECORD_TITLE: Indoleacetic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Indoleacetic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020738 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003215.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003215.txt index 0e8663e8610..739f12e2483 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003215.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003215.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003215 -RECORD_TITLE: Indoleacetic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Indoleacetic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020738 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003216.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003216.txt index db8a50fb723..9310c8fc0ec 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003216.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003216.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003216 -RECORD_TITLE: Indoleacetic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Indoleacetic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020738 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003217.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003217.txt index c5c4b58bb3a..bcdda4d62e0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003217.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003217.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003217 -RECORD_TITLE: Isoamylamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Isoamylamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY BMFVGAAISNGQNM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059355 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003218.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003218.txt index 5927fd8a82f..234828f9aee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003218.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003218.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003218 -RECORD_TITLE: Isoamylamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Isoamylamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY BMFVGAAISNGQNM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059355 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003219.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003219.txt index f486c2a4447..fe6e46fb6d3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003219.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003219.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003219 -RECORD_TITLE: Isoamylamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Isoamylamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY BMFVGAAISNGQNM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059355 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003220.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003220.txt index 777397ddd5f..c7f5aac52d3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003220.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003220.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003220 -RECORD_TITLE: Isoamylamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Isoamylamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY BMFVGAAISNGQNM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059355 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003221.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003221.txt index 92e78aa2981..b3508bbdbe4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003221.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003221.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003221 -RECORD_TITLE: Isoamylamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Isoamylamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY BMFVGAAISNGQNM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7059355 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003222.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003222.txt index 466de9d04ca..005e1d6874d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003222.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003222.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003222 -RECORD_TITLE: Imidazole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Imidazole; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY RAXXELZNTBOGNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2029616 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003223.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003223.txt index 5eccca2ec01..618a2d0170f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003223.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003223.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003223 -RECORD_TITLE: Imidazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Imidazole; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY RAXXELZNTBOGNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2029616 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003224.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003224.txt index d13d6dbd6e5..86ee7b4d34f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003224.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003224.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003224 -RECORD_TITLE: Imidazole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Imidazole; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY RAXXELZNTBOGNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2029616 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003225.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003225.txt index 3fefabbbf5b..a4c35e8dd50 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003225.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003225.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003225 -RECORD_TITLE: Imidazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Imidazole; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY RAXXELZNTBOGNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2029616 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003226.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003226.txt index 7fef0d1590c..6f709531fec 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003226.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003226.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003226 -RECORD_TITLE: Imidazole; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Imidazole; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY RAXXELZNTBOGNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2029616 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003227.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003227.txt index dd711947658..4f8c62b7ec7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003227.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003227.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003227 -RECORD_TITLE: 3-Iodotyrosine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 3-Iodotyrosine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY UQTZMGFTRHFAAM-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID1075353 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003228.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003228.txt index d1d30b17873..bd1b1e2e544 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003228.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003228.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003228 -RECORD_TITLE: 3-Iodotyrosine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 3-Iodotyrosine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY UQTZMGFTRHFAAM-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID1075353 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003229.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003229.txt index 4a62f883427..970619916cf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003229.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003229.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003229 -RECORD_TITLE: 3-Iodotyrosine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 3-Iodotyrosine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY UQTZMGFTRHFAAM-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID1075353 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003230.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003230.txt index 596134e80b9..17ab44e452f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003230.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003230.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003230 -RECORD_TITLE: 3-Iodotyrosine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 3-Iodotyrosine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY UQTZMGFTRHFAAM-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID1075353 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003231.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003231.txt index 1fbb57e5fc5..dae562043ca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003231.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003231.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003231 -RECORD_TITLE: 3-Iodotyrosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 3-Iodotyrosine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY UQTZMGFTRHFAAM-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID1075353 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003232.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003232.txt index 5b45d7f7ca3..b169cec253f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003232.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003232.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003232 -RECORD_TITLE: Isonicotinamide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Isonicotinamide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY VFQXVTODMYMSMJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020756 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003233.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003233.txt index 59f0b6079b7..fc71f36516c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003233.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003233.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003233 -RECORD_TITLE: Isonicotinamide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Isonicotinamide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY VFQXVTODMYMSMJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020756 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003234.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003234.txt index 6b8c274fbf2..c4d7924c97e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003234.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003234.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003234 -RECORD_TITLE: Isonicotinamide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Isonicotinamide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY VFQXVTODMYMSMJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020756 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003235.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003235.txt index ec07db1fdee..c60205657fb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003235.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003235.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003235 -RECORD_TITLE: Isonicotinamide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Isonicotinamide; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY VFQXVTODMYMSMJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020756 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003236.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003236.txt index f523b861a46..57d492ec6f5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003236.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003236.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003236 -RECORD_TITLE: Isonicotinamide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Isonicotinamide; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY VFQXVTODMYMSMJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020756 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003237.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003237.txt index a429ae2b15a..8461399e857 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003237.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003237.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003237 -RECORD_TITLE: beta-Imidazolelactic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: beta-Imidazolelactic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:440129 CH$LINK: INCHIKEY ACZFBYCNAVEFLC-RXMQYKEDSA-N CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003238.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003238.txt index 47276d7c673..0a6e19f6268 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003238.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003238.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003238 -RECORD_TITLE: beta-Imidazolelactic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: beta-Imidazolelactic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:440129 CH$LINK: INCHIKEY ACZFBYCNAVEFLC-RXMQYKEDSA-N CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003239.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003239.txt index 55cfd85f479..b1ce6dd7b95 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003239.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003239.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003239 -RECORD_TITLE: beta-Imidazolelactic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: beta-Imidazolelactic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:440129 CH$LINK: INCHIKEY ACZFBYCNAVEFLC-RXMQYKEDSA-N CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003240.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003240.txt index 0427e1ace77..9944ac1a64d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003240.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003240.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003240 -RECORD_TITLE: beta-Imidazolelactic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: beta-Imidazolelactic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:440129 CH$LINK: INCHIKEY ACZFBYCNAVEFLC-RXMQYKEDSA-N CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003241.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003241.txt index 241bc7b8ee9..698449cf465 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003241.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003241.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003241 -RECORD_TITLE: beta-Imidazolelactic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: beta-Imidazolelactic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:440129 CH$LINK: INCHIKEY ACZFBYCNAVEFLC-RXMQYKEDSA-N CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003242.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003242.txt index 079a23eb6b2..c570d635f75 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003242.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003242.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003242 -RECORD_TITLE: Ismelin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Ismelin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ACGDKVXYNVEAGU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023116 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003243.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003243.txt index 92b7a1e812a..a0ab7227708 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003243.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003243.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003243 -RECORD_TITLE: Ismelin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Ismelin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ACGDKVXYNVEAGU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023116 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003244.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003244.txt index b4bc376b925..9533fea4f35 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003244.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003244.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003244 -RECORD_TITLE: Ismelin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Ismelin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ACGDKVXYNVEAGU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023116 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003245.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003245.txt index 2594042be4f..2c7e3e5276a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003245.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003245.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003245 -RECORD_TITLE: Ismelin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Ismelin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ACGDKVXYNVEAGU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023116 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003246.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003246.txt index d043914bb64..39683886717 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003246.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003246.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003246 -RECORD_TITLE: Ismelin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Ismelin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ACGDKVXYNVEAGU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023116 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003247.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003247.txt index abcf6887b56..d12783f4634 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003247.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003247.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003247 -RECORD_TITLE: Isonicotinic acid hydrazide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Isonicotinic acid hydrazide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY QRXWMOHMRWLFEY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020755 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003248.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003248.txt index 0159a4450a3..4b41374f76c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003248.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003248.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003248 -RECORD_TITLE: Isonicotinic acid hydrazide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Isonicotinic acid hydrazide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY QRXWMOHMRWLFEY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020755 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003249.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003249.txt index 8a0589ac861..f099933a94e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003249.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003249.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003249 -RECORD_TITLE: Isonicotinic acid hydrazide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Isonicotinic acid hydrazide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY QRXWMOHMRWLFEY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020755 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003250.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003250.txt index 83d39031dd1..bbc68440494 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003250.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003250.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003250 -RECORD_TITLE: Isonicotinic acid hydrazide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Isonicotinic acid hydrazide; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY QRXWMOHMRWLFEY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020755 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003251.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003251.txt index ce5fa927773..0f4037e14a1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003251.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003251.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003251 -RECORD_TITLE: Isonicotinic acid hydrazide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Isonicotinic acid hydrazide; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY QRXWMOHMRWLFEY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020755 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003252.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003252.txt index d1f17efa715..66bd7d4b15e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003252.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003252.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003252 -RECORD_TITLE: Isoquinoline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Isoquinoline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AWJUIBRHMBBTKR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047644 CH$LINK: ChemOnt CHEMONTID:0002566; Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003253.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003253.txt index 9459ffca7c1..85f601faf11 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003253.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003253.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003253 -RECORD_TITLE: Isoquinoline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Isoquinoline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AWJUIBRHMBBTKR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047644 CH$LINK: ChemOnt CHEMONTID:0002566; Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003254.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003254.txt index 5dd70b92ded..e9b9ca6631b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003254.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003254.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003254 -RECORD_TITLE: Isoquinoline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Isoquinoline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AWJUIBRHMBBTKR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047644 CH$LINK: ChemOnt CHEMONTID:0002566; Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003255.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003255.txt index 9fad7e1cf1c..749305c3677 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003255.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003255.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003255 -RECORD_TITLE: Isoquinoline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Isoquinoline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AWJUIBRHMBBTKR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047644 CH$LINK: ChemOnt CHEMONTID:0002566; Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003256.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003256.txt index e4354065a74..eec186232a3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003256.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003256.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003256 -RECORD_TITLE: Isoquinoline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Isoquinoline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AWJUIBRHMBBTKR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2047644 CH$LINK: ChemOnt CHEMONTID:0002566; Organic compounds; Organoheterocyclic compounds; Isoquinolines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003257.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003257.txt index d170473146b..85e52c453c0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003257.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003257.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003257 -RECORD_TITLE: Kanamycin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Kanamycin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SBUJHOSQTJFQJX-NOAMYHISSA-N CH$LINK: COMPTOX DTXSID3023184 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003258.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003258.txt index 3c1b16faf29..34a8cf1c559 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003258.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003258.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003258 -RECORD_TITLE: Kanamycin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Kanamycin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SBUJHOSQTJFQJX-NOAMYHISSA-N CH$LINK: COMPTOX DTXSID3023184 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003259.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003259.txt index e3e6c708a5a..1302cc8b177 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003259.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003259.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003259 -RECORD_TITLE: Kanamycin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Kanamycin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SBUJHOSQTJFQJX-NOAMYHISSA-N CH$LINK: COMPTOX DTXSID3023184 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003260.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003260.txt index 63e10e41e06..940c5a9a9e7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003260.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003260.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003260 -RECORD_TITLE: Kanamycin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Kanamycin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SBUJHOSQTJFQJX-NOAMYHISSA-N CH$LINK: COMPTOX DTXSID3023184 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003261.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003261.txt index 8228e92028e..a86391b1e80 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003261.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003261.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003261 -RECORD_TITLE: Kanamycin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Kanamycin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SBUJHOSQTJFQJX-NOAMYHISSA-N CH$LINK: COMPTOX DTXSID3023184 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003262.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003262.txt index ad67b958bf7..0326806361a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003262.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003262.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003262 -RECORD_TITLE: Kanamycin; LC-ESI-QQ; MS2; CE:10 V; [M+2H]++ +RECORD_TITLE: Kanamycin; LC-ESI-QQQ; MS2; CE:10 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SBUJHOSQTJFQJX-NOAMYHISSA-N CH$LINK: COMPTOX DTXSID3023184 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003263.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003263.txt index ce906d0c2da..11492e92c89 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003263.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003263.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003263 -RECORD_TITLE: Kanamycin; LC-ESI-QQ; MS2; CE:20 V; [M+2H]++ +RECORD_TITLE: Kanamycin; LC-ESI-QQQ; MS2; CE:20 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SBUJHOSQTJFQJX-NOAMYHISSA-N CH$LINK: COMPTOX DTXSID3023184 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003264.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003264.txt index 09f57804be6..fcb4149fb60 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003264.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003264.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003264 -RECORD_TITLE: Kanamycin; LC-ESI-QQ; MS2; CE:30 V; [M+2H]++ +RECORD_TITLE: Kanamycin; LC-ESI-QQQ; MS2; CE:30 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SBUJHOSQTJFQJX-NOAMYHISSA-N CH$LINK: COMPTOX DTXSID3023184 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003265.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003265.txt index d5acac68d6d..aec2e20f21c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003265.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003265.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003265 -RECORD_TITLE: Kanamycin; LC-ESI-QQ; MS2; CE:40 V; [M+2H]++ +RECORD_TITLE: Kanamycin; LC-ESI-QQQ; MS2; CE:40 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SBUJHOSQTJFQJX-NOAMYHISSA-N CH$LINK: COMPTOX DTXSID3023184 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003266.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003266.txt index 523e3d1843a..ec1b2b8265c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003266.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003266.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003266 -RECORD_TITLE: Kanamycin; LC-ESI-QQ; MS2; CE:50 V; [M+2H]++ +RECORD_TITLE: Kanamycin; LC-ESI-QQQ; MS2; CE:50 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SBUJHOSQTJFQJX-NOAMYHISSA-N CH$LINK: COMPTOX DTXSID3023184 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003267.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003267.txt index d0399802c1b..f894b614cc6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003267.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003267.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003267 -RECORD_TITLE: Kynurenine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Kynurenine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:161166 CH$LINK: INCHIKEY YGPSJZOEDVAXAB-QMMMGPOBSA-N CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003268.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003268.txt index 7a8b506f77a..73bd89b2ad2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003268.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003268.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003268 -RECORD_TITLE: Kynurenine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Kynurenine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:161166 CH$LINK: INCHIKEY YGPSJZOEDVAXAB-QMMMGPOBSA-N CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003269.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003269.txt index 4f391d09986..d963ee5615b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003269.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003269.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003269 -RECORD_TITLE: Kynurenine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Kynurenine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:161166 CH$LINK: INCHIKEY YGPSJZOEDVAXAB-QMMMGPOBSA-N CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003270.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003270.txt index 9df7e987dc2..5831f6ba496 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003270.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003270.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003270 -RECORD_TITLE: Kynurenine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Kynurenine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:161166 CH$LINK: INCHIKEY YGPSJZOEDVAXAB-QMMMGPOBSA-N CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003271.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003271.txt index 93d94c384c1..3ad684085ca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003271.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003271.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003271 -RECORD_TITLE: Kynurenine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Kynurenine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:161166 CH$LINK: INCHIKEY YGPSJZOEDVAXAB-QMMMGPOBSA-N CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003272.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003272.txt index 627ffcdda79..704db227a44 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003272.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003272.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003272 -RECORD_TITLE: Ketamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Ketamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YQEZLKZALYSWHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8023187 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003273.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003273.txt index 6cf2681ded8..5b28592b788 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003273.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003273.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003273 -RECORD_TITLE: Ketamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Ketamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YQEZLKZALYSWHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8023187 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003274.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003274.txt index 565c9f0c61b..251399fb245 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003274.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003274.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003274 -RECORD_TITLE: Ketamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Ketamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YQEZLKZALYSWHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8023187 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003275.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003275.txt index ab7c8fa5d4f..da995ca7aee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003275.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003275.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003275 -RECORD_TITLE: Ketamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Ketamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YQEZLKZALYSWHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8023187 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003276.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003276.txt index 85a6e5c7e3a..e531cb314d6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003276.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003276.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003276 -RECORD_TITLE: Ketamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Ketamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YQEZLKZALYSWHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8023187 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003277.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003277.txt index d989b766b24..5af6c8939f3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003277.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003277.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003277 -RECORD_TITLE: L-Leucine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-Leucine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ROHFNLRQFUQHCH-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023203 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003278.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003278.txt index f4503a0142e..5b88ee1c0b5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003278.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003278.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003278 -RECORD_TITLE: L-Leucine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-Leucine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ROHFNLRQFUQHCH-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023203 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003279.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003279.txt index 349e267b910..683d2fb4503 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003279.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003279.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003279 -RECORD_TITLE: L-Leucine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-Leucine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ROHFNLRQFUQHCH-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023203 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003280.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003280.txt index 44910582764..a354fe32de4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003280.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003280.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003280 -RECORD_TITLE: L-Leucine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-Leucine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ROHFNLRQFUQHCH-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023203 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003281.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003281.txt index cb13208c4c3..02548889ddf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003281.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003281.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003281 -RECORD_TITLE: L-Leucine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-Leucine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY ROHFNLRQFUQHCH-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023203 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003282.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003282.txt index f243377248e..add5321e133 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003282.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003282.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003282 -RECORD_TITLE: L-(+)-Lysine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-(+)-Lysine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KDXKERNSBIXSRK-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID6023232 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003283.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003283.txt index aaa6f8cced9..b68d96d8d9b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003283.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003283.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003283 -RECORD_TITLE: L-(+)-Lysine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-(+)-Lysine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KDXKERNSBIXSRK-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID6023232 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003284.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003284.txt index 03d943092d2..bfe0350d248 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003284.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003284.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003284 -RECORD_TITLE: L-(+)-Lysine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-(+)-Lysine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KDXKERNSBIXSRK-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID6023232 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003285.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003285.txt index 9ab10044392..7453f659324 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003285.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003285.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003285 -RECORD_TITLE: L-(+)-Lysine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-(+)-Lysine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KDXKERNSBIXSRK-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID6023232 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003286.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003286.txt index f3f515c1b54..dae6ac6f199 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003286.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003286.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003286 -RECORD_TITLE: L-(+)-Lysine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-(+)-Lysine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY KDXKERNSBIXSRK-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID6023232 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003287.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003287.txt index 1e2b37e9fa7..2d8b28fa751 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003287.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003287.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003287 -RECORD_TITLE: Leupeptin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Leupeptin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5284408 CH$LINK: INCHIKEY GDBQQVLCIARPGH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003288.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003288.txt index 39b0259f94f..90aea68c283 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003288.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003288.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003288 -RECORD_TITLE: Leupeptin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Leupeptin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5284408 CH$LINK: INCHIKEY GDBQQVLCIARPGH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003289.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003289.txt index 4ea8cae7548..ee8eb914a06 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003289.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003289.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003289 -RECORD_TITLE: Leupeptin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Leupeptin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5284408 CH$LINK: INCHIKEY GDBQQVLCIARPGH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003290.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003290.txt index c6860ad8190..019ad75d6fb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003290.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003290.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003290 -RECORD_TITLE: Leupeptin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Leupeptin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5284408 CH$LINK: INCHIKEY GDBQQVLCIARPGH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003291.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003291.txt index 705b25beec6..5a359e2c79c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003291.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003291.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003291 -RECORD_TITLE: Leupeptin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Leupeptin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5284408 CH$LINK: INCHIKEY GDBQQVLCIARPGH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003292.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003292.txt index c816de972e9..100667725bc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003292.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003292.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003292 -RECORD_TITLE: Leu-Leu-Tyr; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Leu-Leu-Tyr; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UCNNZELZXFXXJQ-BZSNNMDCSA-N CH$LINK: COMPTOX DTXSID30942525 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003293.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003293.txt index 760e7597e57..7834ad986fd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003293.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003293.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003293 -RECORD_TITLE: Leu-Leu-Tyr; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Leu-Leu-Tyr; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UCNNZELZXFXXJQ-BZSNNMDCSA-N CH$LINK: COMPTOX DTXSID30942525 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003294.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003294.txt index be1875ff666..0bea5a827dd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003294.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003294.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003294 -RECORD_TITLE: Leu-Leu-Tyr; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Leu-Leu-Tyr; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UCNNZELZXFXXJQ-BZSNNMDCSA-N CH$LINK: COMPTOX DTXSID30942525 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003295.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003295.txt index 407d26b9fd8..3d1434ac9c3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003295.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003295.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003295 -RECORD_TITLE: Leu-Leu-Tyr; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Leu-Leu-Tyr; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UCNNZELZXFXXJQ-BZSNNMDCSA-N CH$LINK: COMPTOX DTXSID30942525 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003296.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003296.txt index 31fb8882bbb..df29e499ee7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003296.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003296.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003296 -RECORD_TITLE: Leu-Leu-Tyr; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Leu-Leu-Tyr; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UCNNZELZXFXXJQ-BZSNNMDCSA-N CH$LINK: COMPTOX DTXSID30942525 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003297.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003297.txt index 875cfa348aa..5c75787060f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003297.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003297.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003297 -RECORD_TITLE: S-Lactoylglutathione; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: S-Lactoylglutathione; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440018 CH$LINK: INCHIKEY VDYDCVUWILIYQF-CSMHCCOUSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003298.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003298.txt index c45b96422e1..37e39639b10 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003298.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003298.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003298 -RECORD_TITLE: S-Lactoylglutathione; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: S-Lactoylglutathione; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440018 CH$LINK: INCHIKEY VDYDCVUWILIYQF-CSMHCCOUSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003299.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003299.txt index ae21a50dfa6..24385fb209f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003299.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003299.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003299 -RECORD_TITLE: S-Lactoylglutathione; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: S-Lactoylglutathione; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440018 CH$LINK: INCHIKEY VDYDCVUWILIYQF-CSMHCCOUSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003300.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003300.txt index 8e9d18330b5..d8c368925ef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003300.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003300.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003300 -RECORD_TITLE: S-Lactoylglutathione; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: S-Lactoylglutathione; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440018 CH$LINK: INCHIKEY VDYDCVUWILIYQF-CSMHCCOUSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003301.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003301.txt index 083ec44be3e..23013eefd3a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003301.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003301 -RECORD_TITLE: S-Lactoylglutathione; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: S-Lactoylglutathione; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:440018 CH$LINK: INCHIKEY VDYDCVUWILIYQF-CSMHCCOUSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003302.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003302.txt index c0a59210e28..75b47c4c211 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003302.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003302 -RECORD_TITLE: Lumazine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Lumazine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UYEUUXMDVNYCAM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0060068 CH$LINK: ChemOnt CHEMONTID:0000109; Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003303.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003303.txt index 934c5d49cf1..78d31a90e21 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003303.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003303 -RECORD_TITLE: Lumazine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Lumazine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UYEUUXMDVNYCAM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0060068 CH$LINK: ChemOnt CHEMONTID:0000109; Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003304.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003304.txt index 86ccb3febe4..3e2d390def8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003304.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003304 -RECORD_TITLE: Lumazine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Lumazine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UYEUUXMDVNYCAM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0060068 CH$LINK: ChemOnt CHEMONTID:0000109; Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003305.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003305.txt index 79fa963c4a4..43c37a5b3f5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003305.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003305 -RECORD_TITLE: Lumazine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Lumazine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UYEUUXMDVNYCAM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0060068 CH$LINK: ChemOnt CHEMONTID:0000109; Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003306.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003306.txt index 434adbcad5b..5ca1a32a824 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003306.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003306.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003306 -RECORD_TITLE: Lumazine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Lumazine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UYEUUXMDVNYCAM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0060068 CH$LINK: ChemOnt CHEMONTID:0000109; Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003307.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003307.txt index 483ce1b2caf..4df7b24112b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003307.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003307 -RECORD_TITLE: Lysinamide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Lysinamide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY HKXLAGBDJVHRQG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID50186101 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003308.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003308.txt index 8f3ce7648ee..6ccecb588d1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003308.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003308.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003308 -RECORD_TITLE: Lysinamide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Lysinamide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY HKXLAGBDJVHRQG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID50186101 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003309.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003309.txt index 7c6dc6992a9..84aaca74841 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003309.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003309.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003309 -RECORD_TITLE: Lysinamide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Lysinamide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY HKXLAGBDJVHRQG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID50186101 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003310.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003310.txt index 5daf6e9dc05..3bcf131c203 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003310.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003310.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003310 -RECORD_TITLE: Lysinamide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Lysinamide; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY HKXLAGBDJVHRQG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID50186101 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003311.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003311.txt index a1ab46ec8c8..6ac9e8326cb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003311.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003311.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003311 -RECORD_TITLE: Lysinamide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Lysinamide; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY HKXLAGBDJVHRQG-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID50186101 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003312.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003312.txt index cbc8d9051ce..dfee63bff69 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003312.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003312.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003312 -RECORD_TITLE: DL-Thioctamide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: DL-Thioctamide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY FCCDDURTIIUXBY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2046541 CH$LINK: ChemOnt CHEMONTID:0001154; Organic compounds; Organoheterocyclic compounds; Dithiolanes; Lipoamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003313.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003313.txt index be59d3ccce0..5e4900cd2dd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003313.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003313.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003313 -RECORD_TITLE: DL-Thioctamide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: DL-Thioctamide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY FCCDDURTIIUXBY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2046541 CH$LINK: ChemOnt CHEMONTID:0001154; Organic compounds; Organoheterocyclic compounds; Dithiolanes; Lipoamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003314.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003314.txt index 76444416ef0..16deb267311 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003314.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003314.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003314 -RECORD_TITLE: DL-Thioctamide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: DL-Thioctamide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY FCCDDURTIIUXBY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2046541 CH$LINK: ChemOnt CHEMONTID:0001154; Organic compounds; Organoheterocyclic compounds; Dithiolanes; Lipoamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003315.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003315.txt index c8d65a78341..bb6ea8f9004 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003315.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003315.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003315 -RECORD_TITLE: DL-Thioctamide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: DL-Thioctamide; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY FCCDDURTIIUXBY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2046541 CH$LINK: ChemOnt CHEMONTID:0001154; Organic compounds; Organoheterocyclic compounds; Dithiolanes; Lipoamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003316.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003316.txt index 485c598d41e..74e800db060 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003316.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003316.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003316 -RECORD_TITLE: DL-Thioctamide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: DL-Thioctamide; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY FCCDDURTIIUXBY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2046541 CH$LINK: ChemOnt CHEMONTID:0001154; Organic compounds; Organoheterocyclic compounds; Dithiolanes; Lipoamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003317.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003317.txt index bea0b87db4f..96e12342a78 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003317.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003317.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003317 -RECORD_TITLE: Lidocaine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Lidocaine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY NNJVILVZKWQKPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1045166 CH$LINK: ChemOnt CHEMONTID:0004208; Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003318.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003318.txt index 2b76df354e7..20fd51cf91f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003318.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003318.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003318 -RECORD_TITLE: Lidocaine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Lidocaine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY NNJVILVZKWQKPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1045166 CH$LINK: ChemOnt CHEMONTID:0004208; Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003319.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003319.txt index a7aad326983..b15691bb776 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003319.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003319.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003319 -RECORD_TITLE: Lidocaine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Lidocaine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY NNJVILVZKWQKPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1045166 CH$LINK: ChemOnt CHEMONTID:0004208; Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003320.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003320.txt index 73c67e290c6..57304415f7e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003320.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003320.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003320 -RECORD_TITLE: Lidocaine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Lidocaine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY NNJVILVZKWQKPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1045166 CH$LINK: ChemOnt CHEMONTID:0004208; Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003321.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003321.txt index 96effb1ac86..f90eaaabb1e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003321.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003321.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003321 -RECORD_TITLE: Lidocaine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Lidocaine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY NNJVILVZKWQKPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1045166 CH$LINK: ChemOnt CHEMONTID:0004208; Organic compounds; Benzenoids; Benzene and substituted derivatives; Xylenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003322.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003322.txt index 8e0a8d4df0c..64bf175487e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003322.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003322.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003322 -RECORD_TITLE: Loperamide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Loperamide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY RDOIQAHITMMDAJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6045165 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003323.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003323.txt index 43ed68604b4..9268c45fe2a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003323.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003323.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003323 -RECORD_TITLE: Loperamide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Loperamide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY RDOIQAHITMMDAJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6045165 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003324.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003324.txt index 1d59830baa4..d57dd8998d3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003324.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003324.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003324 -RECORD_TITLE: Loperamide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Loperamide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY RDOIQAHITMMDAJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6045165 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003325.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003325.txt index 5ebb3e5db30..139a208f44b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003325.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003325.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003325 -RECORD_TITLE: Loperamide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Loperamide; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY RDOIQAHITMMDAJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6045165 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003326.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003326.txt index 88579f23061..03b3bf17509 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003326.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003326.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003326 -RECORD_TITLE: Loperamide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Loperamide; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY RDOIQAHITMMDAJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6045165 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003327.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003327.txt index 57157f5a350..d59a0754662 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003327.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003327.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003327 -RECORD_TITLE: beta-Leucine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: beta-Leucine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:2761558 CH$LINK: INCHIKEY GLUJNGJDHCTUJY-YFKPBYRVSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003328.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003328.txt index 538fdd8b800..c59acf84781 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003328.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003328.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003328 -RECORD_TITLE: beta-Leucine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: beta-Leucine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:2761558 CH$LINK: INCHIKEY GLUJNGJDHCTUJY-YFKPBYRVSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003329.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003329.txt index 995720d3bdd..4a97dfcfc61 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003329.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003329.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003329 -RECORD_TITLE: beta-Leucine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: beta-Leucine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:2761558 CH$LINK: INCHIKEY GLUJNGJDHCTUJY-YFKPBYRVSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003330.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003330.txt index 86e69f21a24..2623690b65d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003330.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003330.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003330 -RECORD_TITLE: beta-Leucine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: beta-Leucine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:2761558 CH$LINK: INCHIKEY GLUJNGJDHCTUJY-YFKPBYRVSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003331.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003331.txt index ff2cce8e593..7257d1c4ecf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003331.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003331.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003331 -RECORD_TITLE: beta-Leucine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: beta-Leucine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:2761558 CH$LINK: INCHIKEY GLUJNGJDHCTUJY-YFKPBYRVSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003332.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003332.txt index 1d30eb97e50..4ca71b20839 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003332.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003332.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003332 -RECORD_TITLE: L-Methionine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-Methionine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY FFEARJCKVFRZRR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5040548 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003333.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003333.txt index 0f3053a1692..6af8392b03e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003333.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003333.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003333 -RECORD_TITLE: L-Methionine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-Methionine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY FFEARJCKVFRZRR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5040548 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003334.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003334.txt index 95a10e8fda8..8c2e8815ee3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003334.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003334.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003334 -RECORD_TITLE: L-Methionine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-Methionine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY FFEARJCKVFRZRR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5040548 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003335.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003335.txt index 1e5f2166f6f..e370144ea08 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003335.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003335.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003335 -RECORD_TITLE: L-Methionine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-Methionine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY FFEARJCKVFRZRR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5040548 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003336.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003336.txt index 1489d96ea4e..c84b93cadf6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003336.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003336.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003336 -RECORD_TITLE: L-Methionine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-Methionine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY FFEARJCKVFRZRR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5040548 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003337.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003337.txt index a07b1056655..57d842861b8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003337.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003337.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003337 -RECORD_TITLE: Mannitol 1-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Mannitol 1-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:130418 CH$LINK: INCHIKEY GACTWZZMVMUKNG-KVTDHHQDSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003338.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003338.txt index 7744bbab08e..ee8254c91a1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003338.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003338.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003338 -RECORD_TITLE: Mannitol 1-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Mannitol 1-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:130418 CH$LINK: INCHIKEY GACTWZZMVMUKNG-KVTDHHQDSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003339.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003339.txt index cdb8b6eadd3..3ad7f187885 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003339.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003339.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003339 -RECORD_TITLE: Mannitol 1-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Mannitol 1-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:130418 CH$LINK: INCHIKEY GACTWZZMVMUKNG-KVTDHHQDSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003340.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003340.txt index 2cb8af3b161..ed381cccf1c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003340.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003340.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003340 -RECORD_TITLE: Mannitol 1-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Mannitol 1-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:130418 CH$LINK: INCHIKEY GACTWZZMVMUKNG-KVTDHHQDSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003341.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003341.txt index 14f2b1f59c3..5e0ee43b09b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003341.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003341.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003341 -RECORD_TITLE: Mannitol 1-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Mannitol 1-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:130418 CH$LINK: INCHIKEY GACTWZZMVMUKNG-KVTDHHQDSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003342.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003342.txt index e1b2bbe1b0a..25b9a250bb6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003342.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003342.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003342 -RECORD_TITLE: 4-Methyl-5-thiazoleethanol; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 4-Methyl-5-thiazoleethanol; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY BKAWJIRCKVUVED-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3044382 CH$LINK: ChemOnt CHEMONTID:0000095; Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003343.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003343.txt index 23927484881..1b6ff4a669a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003343.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003343.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003343 -RECORD_TITLE: 4-Methyl-5-thiazoleethanol; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 4-Methyl-5-thiazoleethanol; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY BKAWJIRCKVUVED-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3044382 CH$LINK: ChemOnt CHEMONTID:0000095; Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003344.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003344.txt index 8e0ae451730..c3c71419432 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003344.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003344.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003344 -RECORD_TITLE: 4-Methyl-5-thiazoleethanol; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 4-Methyl-5-thiazoleethanol; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY BKAWJIRCKVUVED-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3044382 CH$LINK: ChemOnt CHEMONTID:0000095; Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003345.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003345.txt index 30f5d63012b..58263eb3819 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003345.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003345.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003345 -RECORD_TITLE: 4-Methyl-5-thiazoleethanol; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 4-Methyl-5-thiazoleethanol; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY BKAWJIRCKVUVED-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3044382 CH$LINK: ChemOnt CHEMONTID:0000095; Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003346.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003346.txt index 14d0d726513..5fbd50a503c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003346.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003346.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003346 -RECORD_TITLE: 4-Methyl-5-thiazoleethanol; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 4-Methyl-5-thiazoleethanol; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY BKAWJIRCKVUVED-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3044382 CH$LINK: ChemOnt CHEMONTID:0000095; Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003347.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003347.txt index bd1ae269f09..e3e616da97b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003347.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003347.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003347 -RECORD_TITLE: 1-Methyl-2-pyrrolidone; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 1-Methyl-2-pyrrolidone; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SECXISVLQFMRJM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6020856 CH$LINK: ChemOnt CHEMONTID:0003449; Organic compounds; Organoheterocyclic compounds; Pyrrolidines; N-alkylpyrrolidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003348.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003348.txt index 81084ef2678..cbd2562b40a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003348.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003348.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003348 -RECORD_TITLE: 1-Methyl-2-pyrrolidone; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 1-Methyl-2-pyrrolidone; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SECXISVLQFMRJM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6020856 CH$LINK: ChemOnt CHEMONTID:0003449; Organic compounds; Organoheterocyclic compounds; Pyrrolidines; N-alkylpyrrolidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003349.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003349.txt index 7ecd2133eed..9edbac9d37f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003349.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003349.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003349 -RECORD_TITLE: 1-Methyl-2-pyrrolidone; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 1-Methyl-2-pyrrolidone; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SECXISVLQFMRJM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6020856 CH$LINK: ChemOnt CHEMONTID:0003449; Organic compounds; Organoheterocyclic compounds; Pyrrolidines; N-alkylpyrrolidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003350.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003350.txt index 323055ab222..bd820a83c43 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003350.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003350.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003350 -RECORD_TITLE: 1-Methyl-2-pyrrolidone; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 1-Methyl-2-pyrrolidone; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SECXISVLQFMRJM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6020856 CH$LINK: ChemOnt CHEMONTID:0003449; Organic compounds; Organoheterocyclic compounds; Pyrrolidines; N-alkylpyrrolidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003351.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003351.txt index 3d9554f900d..c95bc221b1a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003351.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003351.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003351 -RECORD_TITLE: 1-Methyl-2-pyrrolidone; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 1-Methyl-2-pyrrolidone; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SECXISVLQFMRJM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6020856 CH$LINK: ChemOnt CHEMONTID:0003449; Organic compounds; Organoheterocyclic compounds; Pyrrolidines; N-alkylpyrrolidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003352.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003352.txt index 88742110406..fc30aca36b0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003352.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003352.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003352 -RECORD_TITLE: alpha-Methylserine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: alpha-Methylserine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439656 CH$LINK: INCHIKEY CDUUKBXTEOFITR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003353.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003353.txt index 1ff875c8ae5..0be324127cf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003353.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003353.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003353 -RECORD_TITLE: alpha-Methylserine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: alpha-Methylserine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439656 CH$LINK: INCHIKEY CDUUKBXTEOFITR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003354.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003354.txt index 67e0622b1b2..7b15ed41339 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003354.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003354.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003354 -RECORD_TITLE: alpha-Methylserine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: alpha-Methylserine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439656 CH$LINK: INCHIKEY CDUUKBXTEOFITR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003355.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003355.txt index 31df4fd1d78..37ae5b44dda 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003355.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003355.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003355 -RECORD_TITLE: alpha-Methylserine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: alpha-Methylserine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439656 CH$LINK: INCHIKEY CDUUKBXTEOFITR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003356.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003356.txt index 26ea4380500..4c4959c6a8f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003356.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003356.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003356 -RECORD_TITLE: alpha-Methylserine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: alpha-Methylserine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439656 CH$LINK: INCHIKEY CDUUKBXTEOFITR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003357.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003357.txt index fa420b603d6..445037ad9fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003357.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003357.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003357 -RECORD_TITLE: N-Methyl-DL-Alanine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: N-Methyl-DL-Alanine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY GDFAOVXKHJXLEI-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30959936 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003358.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003358.txt index 3bc2f83e3c8..9a531bcc8d2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003358.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003358.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003358 -RECORD_TITLE: N-Methyl-DL-Alanine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: N-Methyl-DL-Alanine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY GDFAOVXKHJXLEI-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30959936 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003359.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003359.txt index 275bf3558e2..9c0a5fa08d6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003359.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003359.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003359 -RECORD_TITLE: N-Methyl-DL-Alanine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: N-Methyl-DL-Alanine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY GDFAOVXKHJXLEI-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30959936 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003360.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003360.txt index 8123f35b517..111e609dcfc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003360.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003360.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003360 -RECORD_TITLE: N-Methyl-DL-Alanine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: N-Methyl-DL-Alanine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY GDFAOVXKHJXLEI-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30959936 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003361.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003361.txt index 93fb718a28c..454bd6d49b5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003361.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003361.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003361 -RECORD_TITLE: N-Methyl-DL-Alanine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: N-Methyl-DL-Alanine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY GDFAOVXKHJXLEI-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID30959936 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003362.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003362.txt index 90d4676fec5..7408420d4be 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003362.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003362.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003362 -RECORD_TITLE: 5-Methylcytosine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 5-Methylcytosine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LRSASMSXMSNRBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50203948 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003363.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003363.txt index 003c2e1b19e..1b4b6cf3c92 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003363.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003363.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003363 -RECORD_TITLE: 5-Methylcytosine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 5-Methylcytosine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LRSASMSXMSNRBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50203948 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003364.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003364.txt index 96b2ea0d161..6af1d1546f8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003364.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003364.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003364 -RECORD_TITLE: 5-Methylcytosine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 5-Methylcytosine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LRSASMSXMSNRBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50203948 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003365.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003365.txt index fc6c8104a65..beed53d9af2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003365.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003365.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003365 -RECORD_TITLE: 5-Methylcytosine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 5-Methylcytosine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LRSASMSXMSNRBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50203948 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003366.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003366.txt index 1f9433c3a42..7cdb0252fd0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003366.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003366.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003366 -RECORD_TITLE: 5-Methylcytosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 5-Methylcytosine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LRSASMSXMSNRBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50203948 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003367.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003367.txt index ebc2c2fbf6b..7f4024760e7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003367.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003367.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003367 -RECORD_TITLE: 3-Methyladenine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 3-Methyladenine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FSASIHFSFGAIJM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80199406 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003368.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003368.txt index 5d8f18b57f0..2c56fd83ef9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003368.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003368.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003368 -RECORD_TITLE: 3-Methyladenine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 3-Methyladenine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FSASIHFSFGAIJM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80199406 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003369.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003369.txt index fe6a2b68fa0..59ae7d12fc6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003369.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003369.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003369 -RECORD_TITLE: 3-Methyladenine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 3-Methyladenine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FSASIHFSFGAIJM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80199406 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003370.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003370.txt index 302a7a977e6..e5a571ddcaa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003370.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003370.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003370 -RECORD_TITLE: 3-Methyladenine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 3-Methyladenine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FSASIHFSFGAIJM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80199406 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003371.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003371.txt index 3a16355a5a3..348439c7cca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003371.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003371.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003371 -RECORD_TITLE: 3-Methyladenine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 3-Methyladenine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FSASIHFSFGAIJM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80199406 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003372.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003372.txt index 80789909925..15731204fbc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003372.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003372.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003372 -RECORD_TITLE: Metformin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Metformin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY XZWYZXLIPXDOLR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2023270 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003373.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003373.txt index 0a816e2a647..607809130ee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003373.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003373.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003373 -RECORD_TITLE: Metformin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Metformin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY XZWYZXLIPXDOLR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2023270 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003374.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003374.txt index 44c5fa0f4cb..b3f242e50bd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003374.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003374.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003374 -RECORD_TITLE: Metformin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Metformin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY XZWYZXLIPXDOLR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2023270 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003375.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003375.txt index 2b9bfe98ddd..27ef11e65ac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003375.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003375.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003375 -RECORD_TITLE: Metformin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Metformin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY XZWYZXLIPXDOLR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2023270 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003376.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003376.txt index dd2b3a14b0e..4a3a97b6357 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003376.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003376.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003376 -RECORD_TITLE: Metformin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Metformin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY XZWYZXLIPXDOLR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2023270 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003377.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003377.txt index f005de6a03b..7aa2469d0f7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003377.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003377.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003377 -RECORD_TITLE: Metronidazole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Metronidazole; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.09.04, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY VAOCPAMSLUNLGC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020892 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003378.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003378.txt index 6a406b55d06..5033902991a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003378.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003378.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003378 -RECORD_TITLE: Metronidazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Metronidazole; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.09.04, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY VAOCPAMSLUNLGC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020892 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003379.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003379.txt index a0cd9fe53a0..cdc2ddf1ade 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003379.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003379.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003379 -RECORD_TITLE: Metronidazole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Metronidazole; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.09.04, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY VAOCPAMSLUNLGC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020892 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003380.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003380.txt index 57933c6b556..4ae5d259306 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003380.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003380.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003380 -RECORD_TITLE: Metronidazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Metronidazole; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.09.04, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY VAOCPAMSLUNLGC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020892 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003381.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003381.txt index 8c60f137025..e58f1e4154a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003381.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003381.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003381 -RECORD_TITLE: Metronidazole; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Metronidazole; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.09.04, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY VAOCPAMSLUNLGC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020892 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003382.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003382.txt index 6c055e2d60e..938b75ecd6b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003382.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003382.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003382 -RECORD_TITLE: 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PLRACCBDVIHHLZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8040933 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003383.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003383.txt index 365ee6d6a8f..b4f4e00884b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003383.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003383.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003383 -RECORD_TITLE: 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PLRACCBDVIHHLZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8040933 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003384.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003384.txt index 0eff9969dbe..41c8227fe99 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003384.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003384.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003384 -RECORD_TITLE: 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PLRACCBDVIHHLZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8040933 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003385.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003385.txt index 61046e4fd51..34bb07dd856 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003385.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003385.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003385 -RECORD_TITLE: 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PLRACCBDVIHHLZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8040933 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003386.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003386.txt index 4ca40ed5554..577646e16ae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003386.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003386.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003386 -RECORD_TITLE: 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY PLRACCBDVIHHLZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8040933 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003387.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003387.txt index ade6fdadeed..9c38db6e3cc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003387.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003387.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003387 -RECORD_TITLE: Minoxidil; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Minoxidil; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY ZFMITUMMTDLWHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9040685 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003388.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003388.txt index 9087ff3c365..a39ebf90bf1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003388.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003388.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003388 -RECORD_TITLE: Minoxidil; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Minoxidil; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY ZFMITUMMTDLWHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9040685 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003389.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003389.txt index 55f4fa8aca6..aefd24190ed 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003389.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003389.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003389 -RECORD_TITLE: Minoxidil; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Minoxidil; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY ZFMITUMMTDLWHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9040685 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003390.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003390.txt index 3593454f036..fef06dff89b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003390.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003390.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003390 -RECORD_TITLE: Minoxidil; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Minoxidil; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY ZFMITUMMTDLWHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9040685 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003391.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003391.txt index 092a5b179d7..78b3283c147 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003391.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003391.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003391 -RECORD_TITLE: Minoxidil; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Minoxidil; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY ZFMITUMMTDLWHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9040685 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003392.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003392.txt index 8b5f6a12d91..71623a06512 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003392.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003392.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003392 -RECORD_TITLE: Milrinone; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Milrinone; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PZRHRDRVRGEVNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023324 CH$LINK: ChemOnt CHEMONTID:0000326; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003393.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003393.txt index 8a5088bfccb..6cbb82d800e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003393.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003393.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003393 -RECORD_TITLE: Milrinone; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Milrinone; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PZRHRDRVRGEVNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023324 CH$LINK: ChemOnt CHEMONTID:0000326; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003394.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003394.txt index 0cf65a422f5..ee7f65e3c3c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003394.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003394.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003394 -RECORD_TITLE: Milrinone; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Milrinone; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PZRHRDRVRGEVNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023324 CH$LINK: ChemOnt CHEMONTID:0000326; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003395.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003395.txt index f1b5d8ade92..405513f7b29 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003395.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003395.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003395 -RECORD_TITLE: Milrinone; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Milrinone; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PZRHRDRVRGEVNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023324 CH$LINK: ChemOnt CHEMONTID:0000326; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003396.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003396.txt index d2bdd42efe4..ec21d772746 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003396.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003396.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003396 -RECORD_TITLE: Milrinone; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Milrinone; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PZRHRDRVRGEVNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5023324 CH$LINK: ChemOnt CHEMONTID:0000326; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Bipyridines and oligopyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003397.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003397.txt index 5914a8c9388..133038d7d20 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003397.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003397.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003397 -RECORD_TITLE: Mecamylamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Mecamylamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY IMYZQPCYWPFTAG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023240 CH$LINK: ChemOnt CHEMONTID:0001549; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003398.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003398.txt index fb67de2e695..11a4646c0fc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003398.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003398.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003398 -RECORD_TITLE: Mecamylamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Mecamylamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY IMYZQPCYWPFTAG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023240 CH$LINK: ChemOnt CHEMONTID:0001549; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003399.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003399.txt index 400bb13a60f..4916f0b8b79 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003399.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003399.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003399 -RECORD_TITLE: Mecamylamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Mecamylamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY IMYZQPCYWPFTAG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023240 CH$LINK: ChemOnt CHEMONTID:0001549; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003400.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003400.txt index 14d35fd7ed1..607fa945cb0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003400.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003400.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003400 -RECORD_TITLE: Mecamylamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Mecamylamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY IMYZQPCYWPFTAG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023240 CH$LINK: ChemOnt CHEMONTID:0001549; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003401.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003401.txt index ad8c06e6f44..c9dc022d006 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003401.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003401 -RECORD_TITLE: Mecamylamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Mecamylamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY IMYZQPCYWPFTAG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023240 CH$LINK: ChemOnt CHEMONTID:0001549; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003402.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003402.txt index 6e44b76b91c..3d4e8edd0db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003402.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003402 -RECORD_TITLE: 5-Methoxytryptamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 5-Methoxytryptamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JTEJPPKMYBDEMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60209638 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003403.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003403.txt index da58ab85093..d2d2114e28a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003403.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003403 -RECORD_TITLE: 5-Methoxytryptamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 5-Methoxytryptamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JTEJPPKMYBDEMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60209638 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003404.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003404.txt index 06a7643f8a6..765a3622e16 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003404.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003404 -RECORD_TITLE: 5-Methoxytryptamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 5-Methoxytryptamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JTEJPPKMYBDEMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60209638 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003405.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003405.txt index 6b12dd66196..fa22800b768 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003405.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003405 -RECORD_TITLE: 5-Methoxytryptamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 5-Methoxytryptamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JTEJPPKMYBDEMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60209638 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003406.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003406.txt index f258fcff252..6aef4dfb566 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003406.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003406.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003406 -RECORD_TITLE: 5-Methoxytryptamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 5-Methoxytryptamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JTEJPPKMYBDEMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60209638 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003407.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003407.txt index 2b7f5fc513e..3b7937318e2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003407.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003407 -RECORD_TITLE: 3-Methylguanine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 3-Methylguanine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY XHBSBNYEHDQRCP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90183755 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003408.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003408.txt index 61c7f7e4226..aca0a42248c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003408.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003408 -RECORD_TITLE: 3-Methylguanine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 3-Methylguanine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY XHBSBNYEHDQRCP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90183755 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003409.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003409.txt index 8268e4a26ab..1aa04cd9d31 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003409.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003409 -RECORD_TITLE: 3-Methylguanine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 3-Methylguanine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY XHBSBNYEHDQRCP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90183755 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003410.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003410.txt index a5f7fd0db11..d3132a7a0c2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003410.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003410.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003410 -RECORD_TITLE: 3-Methylguanine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 3-Methylguanine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY XHBSBNYEHDQRCP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90183755 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003411.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003411.txt index 76313d1d927..9c3e916a80f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003411.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003411.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003411 -RECORD_TITLE: 3-Methylguanine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 3-Methylguanine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY XHBSBNYEHDQRCP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90183755 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003412.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003412.txt index fd3c7f2e766..ff4e0f52686 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003412.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003412.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003412 -RECORD_TITLE: 7-Methylguanine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 7-Methylguanine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FZWGECJQACGGTI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020873 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003413.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003413.txt index a54f04c9972..f7428cbecbc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003413.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003413.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003413 -RECORD_TITLE: 7-Methylguanine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 7-Methylguanine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FZWGECJQACGGTI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020873 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003414.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003414.txt index c48ea667db4..0544ea9e706 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003414.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003414.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003414 -RECORD_TITLE: 7-Methylguanine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 7-Methylguanine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FZWGECJQACGGTI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020873 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003415.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003415.txt index ab162ae2f33..6a867913887 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003415.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003415.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003415 -RECORD_TITLE: 7-Methylguanine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 7-Methylguanine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FZWGECJQACGGTI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020873 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003416.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003416.txt index 5ad75cc3806..c9295cd39e6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003416.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003416.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003416 -RECORD_TITLE: 7-Methylguanine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 7-Methylguanine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FZWGECJQACGGTI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020873 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003417.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003417.txt index ec6f6e347cc..8e91768e22a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003417.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003417.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003417 -RECORD_TITLE: Methylene blue; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Methylene blue; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY RBTBFTRPCNLSDE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3047009 CH$LINK: ChemOnt CHEMONTID:0000309; Organic compounds; Organoheterocyclic compounds; Benzothiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003418.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003418.txt index 43bd9f01094..0aec1aba7a3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003418.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003418.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003418 -RECORD_TITLE: Methylene blue; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Methylene blue; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY RBTBFTRPCNLSDE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3047009 CH$LINK: ChemOnt CHEMONTID:0000309; Organic compounds; Organoheterocyclic compounds; Benzothiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003419.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003419.txt index 071e9add522..11650a8696f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003419.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003419.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003419 -RECORD_TITLE: Methylene blue; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Methylene blue; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY RBTBFTRPCNLSDE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3047009 CH$LINK: ChemOnt CHEMONTID:0000309; Organic compounds; Organoheterocyclic compounds; Benzothiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003420.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003420.txt index 5f72289e008..bba35351650 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003420.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003420.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003420 -RECORD_TITLE: Methylene blue; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Methylene blue; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY RBTBFTRPCNLSDE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3047009 CH$LINK: ChemOnt CHEMONTID:0000309; Organic compounds; Organoheterocyclic compounds; Benzothiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003421.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003421.txt index 2c2264a8eb2..3f6ea18b0c6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003421.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003421.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003421 -RECORD_TITLE: Methylene blue; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Methylene blue; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY RBTBFTRPCNLSDE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3047009 CH$LINK: ChemOnt CHEMONTID:0000309; Organic compounds; Organoheterocyclic compounds; Benzothiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003422.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003422.txt index 21f5ec425fb..3b6718e8416 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003422.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003422.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003422 -RECORD_TITLE: Methotrexate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Methotrexate; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FBOZXECLQNJBKD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40859034 CH$LINK: ChemOnt CHEMONTID:0000110; Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003423.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003423.txt index eb1a1e8c9d3..f6acec58c22 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003423.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003423.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003423 -RECORD_TITLE: Methotrexate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Methotrexate; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FBOZXECLQNJBKD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40859034 CH$LINK: ChemOnt CHEMONTID:0000110; Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003424.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003424.txt index e37c4370647..bf2e7cf9745 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003424.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003424.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003424 -RECORD_TITLE: Methotrexate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Methotrexate; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FBOZXECLQNJBKD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40859034 CH$LINK: ChemOnt CHEMONTID:0000110; Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003425.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003425.txt index 46c90f7a8bc..1fbaec62f4e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003425.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003425.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003425 -RECORD_TITLE: Methotrexate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Methotrexate; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FBOZXECLQNJBKD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40859034 CH$LINK: ChemOnt CHEMONTID:0000110; Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003426.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003426.txt index bfe8b392eb4..df13aa355cd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003426.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003426.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003426 -RECORD_TITLE: Methotrexate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Methotrexate; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FBOZXECLQNJBKD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40859034 CH$LINK: ChemOnt CHEMONTID:0000110; Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003427.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003427.txt index b82d9a7fd91..386337a67bd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003427.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003427.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003427 -RECORD_TITLE: 1-Methyladenosine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 1-Methyladenosine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY GFYLSDSUCHVORB-IOSLPCCCSA-N CH$LINK: COMPTOX DTXSID30864632 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003428.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003428.txt index 1c66a6faf5d..65b3f09ce68 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003428.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003428.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003428 -RECORD_TITLE: 1-Methyladenosine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 1-Methyladenosine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY GFYLSDSUCHVORB-IOSLPCCCSA-N CH$LINK: COMPTOX DTXSID30864632 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003429.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003429.txt index bd2a9e3f0ba..c5cc66461ff 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003429.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003429.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003429 -RECORD_TITLE: 1-Methyladenosine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 1-Methyladenosine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY GFYLSDSUCHVORB-IOSLPCCCSA-N CH$LINK: COMPTOX DTXSID30864632 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003430.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003430.txt index 4f416abe300..81f254a1684 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003430.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003430.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003430 -RECORD_TITLE: 1-Methyladenosine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 1-Methyladenosine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY GFYLSDSUCHVORB-IOSLPCCCSA-N CH$LINK: COMPTOX DTXSID30864632 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003431.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003431.txt index 4ce43ca496c..7e9094f2afa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003431.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003431.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003431 -RECORD_TITLE: 1-Methyladenosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 1-Methyladenosine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY GFYLSDSUCHVORB-IOSLPCCCSA-N CH$LINK: COMPTOX DTXSID30864632 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003432.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003432.txt index fee5ac964da..d2d0aa378c7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003432.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003432.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003432 -RECORD_TITLE: Melatonin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Melatonin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DRLFMBDRBRZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022421 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003433.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003433.txt index 42325dfd14e..d9ff9d63bd3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003433.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003433.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003433 -RECORD_TITLE: Melatonin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Melatonin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DRLFMBDRBRZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022421 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003434.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003434.txt index 1c84e9e7565..3b3d43d380c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003434.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003434.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003434 -RECORD_TITLE: Melatonin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Melatonin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DRLFMBDRBRZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022421 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003435.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003435.txt index 3399e7b8240..2672a3cae26 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003435.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003435.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003435 -RECORD_TITLE: Melatonin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Melatonin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DRLFMBDRBRZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022421 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003436.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003436.txt index cc6d2478e62..89971874030 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003436.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003436.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003436 -RECORD_TITLE: Melatonin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Melatonin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DRLFMBDRBRZALE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1022421 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003437.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003437.txt index ee18ced8ec8..4fa2e700ec3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003437.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003437.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003437 -RECORD_TITLE: 6-Mercaptopurine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 6-Mercaptopurine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GLVAUDGFNGKCSF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020810 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003438.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003438.txt index 64cfcef2cb3..a31c322ecf4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003438.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003438.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003438 -RECORD_TITLE: 6-Mercaptopurine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 6-Mercaptopurine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GLVAUDGFNGKCSF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020810 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003439.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003439.txt index e32587b9fe7..b7689028f31 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003439.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003439.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003439 -RECORD_TITLE: 6-Mercaptopurine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 6-Mercaptopurine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GLVAUDGFNGKCSF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020810 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003440.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003440.txt index 19e4f10eaa1..f0d56e7c5d8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003440.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003440.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003440 -RECORD_TITLE: 6-Mercaptopurine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 6-Mercaptopurine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GLVAUDGFNGKCSF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020810 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003441.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003441.txt index 5a5b5c65bca..eede83686dd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003441.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003441.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003441 -RECORD_TITLE: 6-Mercaptopurine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 6-Mercaptopurine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GLVAUDGFNGKCSF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020810 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003442.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003442.txt index 314ac7ffb8d..554dc3e0848 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003442.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003442.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003442 -RECORD_TITLE: 1-Methylnicotinamide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 1-Methylnicotinamide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY LDHMAVIPBRSVRG-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID10185019 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003443.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003443.txt index 422e750c2e5..cdcd0afa291 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003443.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003443.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003443 -RECORD_TITLE: 1-Methylnicotinamide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 1-Methylnicotinamide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY LDHMAVIPBRSVRG-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID10185019 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003444.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003444.txt index ef63238f78e..b6688210240 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003444.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003444.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003444 -RECORD_TITLE: 1-Methylnicotinamide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 1-Methylnicotinamide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY LDHMAVIPBRSVRG-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID10185019 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003445.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003445.txt index aafa122f55e..0a9354d796e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003445.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003445.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003445 -RECORD_TITLE: 1-Methylnicotinamide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 1-Methylnicotinamide; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY LDHMAVIPBRSVRG-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID10185019 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003446.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003446.txt index 11aeb5b2ecf..c2ef81a3841 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003446.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003446.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003446 -RECORD_TITLE: 1-Methylnicotinamide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 1-Methylnicotinamide; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY LDHMAVIPBRSVRG-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID10185019 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003447.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003447.txt index b97a18ab87c..6384ee1f7b9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003447.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003447.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003447 -RECORD_TITLE: N-Methylaniline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: N-Methylaniline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY AFBPFSWMIHJQDM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021841 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003448.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003448.txt index 6e9193cc924..03d6439d163 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003448.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003448.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003448 -RECORD_TITLE: N-Methylaniline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: N-Methylaniline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY AFBPFSWMIHJQDM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021841 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003449.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003449.txt index 22c53ef0fce..d3172baaf35 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003449.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003449.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003449 -RECORD_TITLE: N-Methylaniline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: N-Methylaniline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY AFBPFSWMIHJQDM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021841 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003450.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003450.txt index a1b0880ae92..084fde91b6f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003450.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003450.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003450 -RECORD_TITLE: N-Methylaniline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: N-Methylaniline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY AFBPFSWMIHJQDM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021841 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003451.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003451.txt index 879154c09a4..9469d5ad644 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003451.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003451.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003451 -RECORD_TITLE: N-Methylaniline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: N-Methylaniline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY AFBPFSWMIHJQDM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021841 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003452.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003452.txt index a0a1a3c41d7..a19aa5e2153 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003452.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003452.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003452 -RECORD_TITLE: N-Methylglutamic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: N-Methylglutamic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:439377 CH$LINK: INCHIKEY XLBVNMSMFQMKEY-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003453.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003453.txt index 2f0c0f40715..3ca89bac6bc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003453.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003453.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003453 -RECORD_TITLE: N-Methylglutamic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: N-Methylglutamic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:439377 CH$LINK: INCHIKEY XLBVNMSMFQMKEY-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003454.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003454.txt index 63dbb6c32ad..14c70bf793c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003454.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003454.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003454 -RECORD_TITLE: N-Methylglutamic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: N-Methylglutamic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:439377 CH$LINK: INCHIKEY XLBVNMSMFQMKEY-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003455.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003455.txt index 0a0ec1a5ecc..f58ee0bdd74 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003455.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003455.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003455 -RECORD_TITLE: N-Methylglutamic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: N-Methylglutamic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:439377 CH$LINK: INCHIKEY XLBVNMSMFQMKEY-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003456.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003456.txt index 9f4c1255bd2..3f45e57d66e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003456.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003456.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003456 -RECORD_TITLE: N-Methylglutamic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: N-Methylglutamic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:439377 CH$LINK: INCHIKEY XLBVNMSMFQMKEY-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003457.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003457.txt index 1ef1c33b2dc..6e850566645 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003457.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003457.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003457 -RECORD_TITLE: N-Methyl-N-propagylbenzylamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: N-Methyl-N-propagylbenzylamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY DPWPWRLQFGFJFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023423 CH$LINK: ChemOnt CHEMONTID:0000185; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003458.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003458.txt index 44dcf64e3a1..1fc622ffab8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003458.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003458.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003458 -RECORD_TITLE: N-Methyl-N-propagylbenzylamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: N-Methyl-N-propagylbenzylamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY DPWPWRLQFGFJFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023423 CH$LINK: ChemOnt CHEMONTID:0000185; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003459.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003459.txt index 5d5942a4bac..6b0673dfc0b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003459.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003459.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003459 -RECORD_TITLE: N-Methyl-N-propagylbenzylamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: N-Methyl-N-propagylbenzylamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY DPWPWRLQFGFJFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023423 CH$LINK: ChemOnt CHEMONTID:0000185; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003460.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003460.txt index 171cc2d0e76..3ce55ac3219 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003460.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003460.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003460 -RECORD_TITLE: N-Methyl-N-propagylbenzylamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: N-Methyl-N-propagylbenzylamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY DPWPWRLQFGFJFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023423 CH$LINK: ChemOnt CHEMONTID:0000185; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003461.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003461.txt index 1ebd54727ac..9f068b73858 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003461.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003461.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003461 -RECORD_TITLE: N-Methyl-N-propagylbenzylamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: N-Methyl-N-propagylbenzylamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY DPWPWRLQFGFJFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023423 CH$LINK: ChemOnt CHEMONTID:0000185; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003462.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003462.txt index f0a7f9ca860..c7750ce7448 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003462.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003462.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003462 -RECORD_TITLE: 1-Methyladenine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 1-Methyladenine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:135398646 CH$LINK: INCHIKEY SATCOUWSAZBIJO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003463.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003463.txt index 9eea4d2bdc1..8c3c65d70d0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003463.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003463.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003463 -RECORD_TITLE: 1-Methyladenine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 1-Methyladenine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:135398646 CH$LINK: INCHIKEY SATCOUWSAZBIJO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003464.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003464.txt index 35de6b3032e..851d4899042 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003464.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003464.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003464 -RECORD_TITLE: 1-Methyladenine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 1-Methyladenine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:135398646 CH$LINK: INCHIKEY SATCOUWSAZBIJO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003465.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003465.txt index 8cabf4e7dff..395748550d6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003465.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003465.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003465 -RECORD_TITLE: 1-Methyladenine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 1-Methyladenine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:135398646 CH$LINK: INCHIKEY SATCOUWSAZBIJO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003466.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003466.txt index e0b967daa6b..3473a6ae5ab 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003466.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003466.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003466 -RECORD_TITLE: 1-Methyladenine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 1-Methyladenine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:135398646 CH$LINK: INCHIKEY SATCOUWSAZBIJO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003467.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003467.txt index bc3f7f50e10..8c7d3660252 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003467.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003467.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003467 -RECORD_TITLE: L-3-Methylhistidine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-3-Methylhistidine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JDHILDINMRGULE-LURJTMIESA-N CH$LINK: COMPTOX DTXSID90920521 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003468.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003468.txt index 30a8ea3f1f3..58dbcbcb896 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003468.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003468.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003468 -RECORD_TITLE: L-3-Methylhistidine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-3-Methylhistidine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JDHILDINMRGULE-LURJTMIESA-N CH$LINK: COMPTOX DTXSID90920521 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003469.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003469.txt index a8fd9830390..cfb77f62f25 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003469.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003469.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003469 -RECORD_TITLE: L-3-Methylhistidine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-3-Methylhistidine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JDHILDINMRGULE-LURJTMIESA-N CH$LINK: COMPTOX DTXSID90920521 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003470.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003470.txt index 9de8d8bfa13..4533f705b6c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003470.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003470.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003470 -RECORD_TITLE: L-3-Methylhistidine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-3-Methylhistidine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JDHILDINMRGULE-LURJTMIESA-N CH$LINK: COMPTOX DTXSID90920521 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003471.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003471.txt index 10491fea7f5..b1e0d8b6d94 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003471.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003471.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003471 -RECORD_TITLE: L-3-Methylhistidine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-3-Methylhistidine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JDHILDINMRGULE-LURJTMIESA-N CH$LINK: COMPTOX DTXSID90920521 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003472.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003472.txt index d7d91112973..e9ece3ae0de 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003472.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003472.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003472 -RECORD_TITLE: D-3-Methylhistidine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: D-3-Methylhistidine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JDHILDINMRGULE-ZCFIWIBFSA-N CH$LINK: COMPTOX DTXSID00426928 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003473.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003473.txt index 3e520f4aa9c..243b11ea3ec 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003473.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003473.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003473 -RECORD_TITLE: D-3-Methylhistidine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: D-3-Methylhistidine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JDHILDINMRGULE-ZCFIWIBFSA-N CH$LINK: COMPTOX DTXSID00426928 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003474.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003474.txt index 551ae5b6ce3..88efa349061 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003474.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003474.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003474 -RECORD_TITLE: D-3-Methylhistidine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: D-3-Methylhistidine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JDHILDINMRGULE-ZCFIWIBFSA-N CH$LINK: COMPTOX DTXSID00426928 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003475.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003475.txt index 340541fe475..8e4830bcb14 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003475.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003475.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003475 -RECORD_TITLE: D-3-Methylhistidine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: D-3-Methylhistidine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JDHILDINMRGULE-ZCFIWIBFSA-N CH$LINK: COMPTOX DTXSID00426928 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003476.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003476.txt index bbf50105518..ff8e7518d88 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003476.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003476.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003476 -RECORD_TITLE: D-3-Methylhistidine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: D-3-Methylhistidine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY JDHILDINMRGULE-ZCFIWIBFSA-N CH$LINK: COMPTOX DTXSID00426928 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003477.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003477.txt index 52e895e1045..6cf124d8066 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003477.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003477.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003477 -RECORD_TITLE: 5-Methoxy-3-indoleacetic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 5-Methoxy-3-indoleacetic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY COCNDHOPIHDTHK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70188268 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003478.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003478.txt index 3fe284161db..eefc730a9ad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003478.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003478.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003478 -RECORD_TITLE: 5-Methoxy-3-indoleacetic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 5-Methoxy-3-indoleacetic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY COCNDHOPIHDTHK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70188268 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003479.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003479.txt index 232cdc94edb..007b2503996 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003479.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003479.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003479 -RECORD_TITLE: 5-Methoxy-3-indoleacetic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 5-Methoxy-3-indoleacetic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY COCNDHOPIHDTHK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70188268 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003480.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003480.txt index 938c6556f4d..bddcbfa5505 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003480.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003480.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003480 -RECORD_TITLE: 5-Methoxy-3-indoleacetic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 5-Methoxy-3-indoleacetic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY COCNDHOPIHDTHK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70188268 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003481.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003481.txt index 51936f713cb..7cb69342caa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003481.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003481.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003481 -RECORD_TITLE: 5-Methoxy-3-indoleacetic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 5-Methoxy-3-indoleacetic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY COCNDHOPIHDTHK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70188268 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003482.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003482.txt index 06b885dc971..8d4747b2d16 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003482.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003482.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003482 -RECORD_TITLE: Mannosamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Mannosamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:440049 CH$LINK: INCHIKEY MSWZFWKMSRAUBD-CBPJZXOFSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003483.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003483.txt index a7784465942..3f505ebbdd7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003483.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003483.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003483 -RECORD_TITLE: Mannosamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Mannosamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:440049 CH$LINK: INCHIKEY MSWZFWKMSRAUBD-CBPJZXOFSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003484.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003484.txt index 5be3ed63b23..355620845d0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003484.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003484.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003484 -RECORD_TITLE: Mannosamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Mannosamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:440049 CH$LINK: INCHIKEY MSWZFWKMSRAUBD-CBPJZXOFSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003485.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003485.txt index df727233f47..40f7b70015c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003485.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003485.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003485 -RECORD_TITLE: Mannosamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Mannosamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:440049 CH$LINK: INCHIKEY MSWZFWKMSRAUBD-CBPJZXOFSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003486.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003486.txt index 62a2f29ec69..821fbefb750 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003486.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003486.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003486 -RECORD_TITLE: Mannosamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Mannosamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:440049 CH$LINK: INCHIKEY MSWZFWKMSRAUBD-CBPJZXOFSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003487.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003487.txt index 7070006c346..49d5b4bc52a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003487.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003487.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003487 -RECORD_TITLE: Muramic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Muramic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:441038 CH$LINK: INCHIKEY MSFSPUZXLOGKHJ-PGYHGBPZSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003488.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003488.txt index febc7b35e96..6ebf8d6b6e7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003488.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003488.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003488 -RECORD_TITLE: Muramic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Muramic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:441038 CH$LINK: INCHIKEY MSFSPUZXLOGKHJ-PGYHGBPZSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003489.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003489.txt index c027efa4e7c..e2b083a3312 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003489.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003489.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003489 -RECORD_TITLE: Muramic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Muramic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:441038 CH$LINK: INCHIKEY MSFSPUZXLOGKHJ-PGYHGBPZSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003490.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003490.txt index 1a279cd6a43..bc19c5f3a3d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003490.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003490.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003490 -RECORD_TITLE: Muramic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Muramic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:441038 CH$LINK: INCHIKEY MSFSPUZXLOGKHJ-PGYHGBPZSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003491.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003491.txt index 0ff74fcc525..942302a125c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003491.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003491.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003491 -RECORD_TITLE: Muramic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Muramic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:441038 CH$LINK: INCHIKEY MSFSPUZXLOGKHJ-PGYHGBPZSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003492.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003492.txt index 039b51b667b..10b0e2b05f1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003492.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003492.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003492 -RECORD_TITLE: Levomepromazine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Levomepromazine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY VRQVVMDWGGWHTJ-CQSZACIVSA-N CH$LINK: COMPTOX DTXSID1023289 CH$LINK: ChemOnt CHEMONTID:0000310; Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003493.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003493.txt index c8b7a09be30..cf7e24956db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003493.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003493.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003493 -RECORD_TITLE: Levomepromazine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Levomepromazine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY VRQVVMDWGGWHTJ-CQSZACIVSA-N CH$LINK: COMPTOX DTXSID1023289 CH$LINK: ChemOnt CHEMONTID:0000310; Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003494.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003494.txt index d26cdbc892e..d1dcbd15bd8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003494.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003494.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003494 -RECORD_TITLE: Levomepromazine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Levomepromazine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY VRQVVMDWGGWHTJ-CQSZACIVSA-N CH$LINK: COMPTOX DTXSID1023289 CH$LINK: ChemOnt CHEMONTID:0000310; Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003495.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003495.txt index aeb26e90eb8..1a7467b34e2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003495.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003495.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003495 -RECORD_TITLE: Levomepromazine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Levomepromazine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY VRQVVMDWGGWHTJ-CQSZACIVSA-N CH$LINK: COMPTOX DTXSID1023289 CH$LINK: ChemOnt CHEMONTID:0000310; Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003496.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003496.txt index 1ccd5530ee5..6584272d2a0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003496.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003496.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003496 -RECORD_TITLE: Levomepromazine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Levomepromazine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY VRQVVMDWGGWHTJ-CQSZACIVSA-N CH$LINK: COMPTOX DTXSID1023289 CH$LINK: ChemOnt CHEMONTID:0000310; Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003497.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003497.txt index 463bcdff0be..9a114c0eb67 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003497.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003497.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003497 -RECORD_TITLE: Nw-Methyltryptamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Nw-Methyltryptamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY NCIKQJBVUNUXLW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70209846 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003498.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003498.txt index bda3c75639e..329cb8461d6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003498.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003498.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003498 -RECORD_TITLE: Nw-Methyltryptamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Nw-Methyltryptamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY NCIKQJBVUNUXLW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70209846 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003499.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003499.txt index c3afd7be454..2cc8b127fc3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003499.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003499.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003499 -RECORD_TITLE: Nw-Methyltryptamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Nw-Methyltryptamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY NCIKQJBVUNUXLW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70209846 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003500.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003500.txt index 589596515bb..3389f8d866c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003500.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003500.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003500 -RECORD_TITLE: Nw-Methyltryptamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Nw-Methyltryptamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY NCIKQJBVUNUXLW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70209846 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003501.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003501.txt index b8f8ca98b12..b549f08c134 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003501.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003501 -RECORD_TITLE: Nw-Methyltryptamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Nw-Methyltryptamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY NCIKQJBVUNUXLW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70209846 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003502.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003502.txt index a95127002c0..d02dc218e1b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003502.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003502 -RECORD_TITLE: 5-Methoxy-N,N-dimethyltryptamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 5-Methoxy-N,N-dimethyltryptamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ZSTKHSQDNIGFLM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70144324 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003503.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003503.txt index 485a29eedc4..2b37729e1af 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003503.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003503 -RECORD_TITLE: 5-Methoxy-N,N-dimethyltryptamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 5-Methoxy-N,N-dimethyltryptamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ZSTKHSQDNIGFLM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70144324 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003504.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003504.txt index caf46408d68..84eb16c997e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003504.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003504 -RECORD_TITLE: 5-Methoxy-N,N-dimethyltryptamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 5-Methoxy-N,N-dimethyltryptamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ZSTKHSQDNIGFLM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70144324 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003505.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003505.txt index 0264a6b682e..cd058fc11c1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003505.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003505 -RECORD_TITLE: 5-Methoxy-N,N-dimethyltryptamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 5-Methoxy-N,N-dimethyltryptamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ZSTKHSQDNIGFLM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70144324 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003506.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003506.txt index 7582a498add..43186473a7a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003506.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003506 -RECORD_TITLE: 5-Methoxy-N,N-dimethyltryptamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 5-Methoxy-N,N-dimethyltryptamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ZSTKHSQDNIGFLM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70144324 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003507.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003507.txt index ff41cdc96a4..3e5ced12519 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003507.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003507 -RECORD_TITLE: 6-Methylmercaptopurine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 6-Methylmercaptopurine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5778 CH$LINK: INCHIKEY UIJIQXGRFSPYQW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003508.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003508.txt index eb4856519af..167a389d0dc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003508.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003508 -RECORD_TITLE: 6-Methylmercaptopurine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 6-Methylmercaptopurine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5778 CH$LINK: INCHIKEY UIJIQXGRFSPYQW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003509.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003509.txt index ef4cf29ed17..bcc878e6903 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003509.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003509.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003509 -RECORD_TITLE: 6-Methylmercaptopurine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 6-Methylmercaptopurine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5778 CH$LINK: INCHIKEY UIJIQXGRFSPYQW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003510.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003510.txt index ddfdf276696..ba208815791 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003510.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003510.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003510 -RECORD_TITLE: 6-Methylmercaptopurine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 6-Methylmercaptopurine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5778 CH$LINK: INCHIKEY UIJIQXGRFSPYQW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003511.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003511.txt index f7713b074e4..14fb551deba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003511.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003511.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003511 -RECORD_TITLE: 6-Methylmercaptopurine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 6-Methylmercaptopurine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5778 CH$LINK: INCHIKEY UIJIQXGRFSPYQW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003512.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003512.txt index 246f632963a..e738e1de77a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003512.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003512.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003512 -RECORD_TITLE: N6-Methyl-2'-deoxyadenosine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: N6-Methyl-2'-deoxyadenosine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY DYSDOYRQWBDGQQ-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID60173840 CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003513.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003513.txt index 3220b271112..9099a5ef869 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003513.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003513.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003513 -RECORD_TITLE: N6-Methyl-2'-deoxyadenosine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: N6-Methyl-2'-deoxyadenosine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY DYSDOYRQWBDGQQ-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID60173840 CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003514.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003514.txt index 2da0c52ff79..2135b8d8897 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003514.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003514.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003514 -RECORD_TITLE: N6-Methyl-2'-deoxyadenosine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: N6-Methyl-2'-deoxyadenosine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY DYSDOYRQWBDGQQ-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID60173840 CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003515.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003515.txt index 35dccb11ca7..7d7b7a876e9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003515.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003515.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003515 -RECORD_TITLE: N6-Methyl-2'-deoxyadenosine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: N6-Methyl-2'-deoxyadenosine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY DYSDOYRQWBDGQQ-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID60173840 CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003516.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003516.txt index 0bbb15fa96d..dce769ac1d0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003516.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003516.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003516 -RECORD_TITLE: N6-Methyl-2'-deoxyadenosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: N6-Methyl-2'-deoxyadenosine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY DYSDOYRQWBDGQQ-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID60173840 CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003517.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003517.txt index f8ca50c47c9..e3cb70785a9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003517.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003517.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003517 -RECORD_TITLE: Metyrapone; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Metyrapone; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FJLBFSROUSIWMA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1023314 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003518.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003518.txt index a7dfd654656..0f4224d5660 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003518.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003518.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003518 -RECORD_TITLE: Metyrapone; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Metyrapone; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FJLBFSROUSIWMA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1023314 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003519.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003519.txt index 892cbf24119..cf570d299eb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003519.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003519.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003519 -RECORD_TITLE: Metyrapone; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Metyrapone; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FJLBFSROUSIWMA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1023314 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003520.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003520.txt index 47fe11411af..2a6d24e3cd4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003520.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003520.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003520 -RECORD_TITLE: Metyrapone; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Metyrapone; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FJLBFSROUSIWMA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1023314 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003521.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003521.txt index f12e81c9306..00eda5ee2ca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003521.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003521.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003521 -RECORD_TITLE: Metyrapone; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Metyrapone; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FJLBFSROUSIWMA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1023314 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003522.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003522.txt index 2fa3ec65e5e..6bd4f03c665 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003522.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003522.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003522 -RECORD_TITLE: Methionine sulfoximine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Methionine sulfoximine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY SXTAYKAGBXMACB-DPVSGNNYSA-N CH$LINK: COMPTOX DTXSID30936181 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003523.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003523.txt index 8747714fbfa..4c399066787 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003523.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003523.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003523 -RECORD_TITLE: Methionine sulfoximine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Methionine sulfoximine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY SXTAYKAGBXMACB-DPVSGNNYSA-N CH$LINK: COMPTOX DTXSID30936181 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003524.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003524.txt index 9d231133b25..49707b9293d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003524.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003524.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003524 -RECORD_TITLE: Methionine sulfoximine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Methionine sulfoximine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY SXTAYKAGBXMACB-DPVSGNNYSA-N CH$LINK: COMPTOX DTXSID30936181 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003525.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003525.txt index 972a254f959..68ce4b034af 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003525.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003525.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003525 -RECORD_TITLE: Methionine sulfoximine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Methionine sulfoximine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY SXTAYKAGBXMACB-DPVSGNNYSA-N CH$LINK: COMPTOX DTXSID30936181 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003526.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003526.txt index 17c75bcd76e..2489656eded 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003526.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003526.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003526 -RECORD_TITLE: Methionine sulfoximine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Methionine sulfoximine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY SXTAYKAGBXMACB-DPVSGNNYSA-N CH$LINK: COMPTOX DTXSID30936181 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003527.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003527.txt index 5d2b16cbc9d..4abca1fe6f8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003527.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003527.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003527 -RECORD_TITLE: Muscimol; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Muscimol; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZJQHPWUVQPJPQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5041069 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003528.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003528.txt index 6659466e2c5..5bebdf1a6d7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003528.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003528.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003528 -RECORD_TITLE: Muscimol; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Muscimol; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZJQHPWUVQPJPQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5041069 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003529.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003529.txt index 753487a2e01..1a47b377dc2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003529.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003529.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003529 -RECORD_TITLE: Muscimol; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Muscimol; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZJQHPWUVQPJPQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5041069 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003530.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003530.txt index 897584284f3..c5680bcb754 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003530.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003530.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003530 -RECORD_TITLE: Muscimol; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Muscimol; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZJQHPWUVQPJPQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5041069 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003531.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003531.txt index 5b1a48b90db..cc0d54ed0a6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003531.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003531.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003531 -RECORD_TITLE: Muscimol; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Muscimol; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZJQHPWUVQPJPQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5041069 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003532.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003532.txt index fe81a63d23e..5754952a5fd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003532.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003532.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003532 -RECORD_TITLE: 4-Methylpyrazole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 4-Methylpyrazole; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY RIKMMFOAQPJVMX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3040649 CH$LINK: ChemOnt CHEMONTID:0000087; Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003533.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003533.txt index f93170c880b..25610a4afb2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003533.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003533.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003533 -RECORD_TITLE: 4-Methylpyrazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 4-Methylpyrazole; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY RIKMMFOAQPJVMX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3040649 CH$LINK: ChemOnt CHEMONTID:0000087; Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003534.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003534.txt index d986490215d..405b633f6b3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003534.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003534.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003534 -RECORD_TITLE: 4-Methylpyrazole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 4-Methylpyrazole; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY RIKMMFOAQPJVMX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3040649 CH$LINK: ChemOnt CHEMONTID:0000087; Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003535.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003535.txt index 2dcb60c32a9..57404ff5d75 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003535.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003535.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003535 -RECORD_TITLE: 4-Methylpyrazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 4-Methylpyrazole; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY RIKMMFOAQPJVMX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3040649 CH$LINK: ChemOnt CHEMONTID:0000087; Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003536.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003536.txt index aed548d0b30..1236941ef51 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003536.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003536.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003536 -RECORD_TITLE: 4-Methylpyrazole; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 4-Methylpyrazole; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY RIKMMFOAQPJVMX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3040649 CH$LINK: ChemOnt CHEMONTID:0000087; Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003537.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003537.txt index 33f2d3eb80a..5805348f9e2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003537.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003537.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003537 -RECORD_TITLE: Methimazole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Methimazole; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY PMRYVIKBURPHAH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020820 CH$LINK: ChemOnt CHEMONTID:0000079; Organic compounds; Organoheterocyclic compounds; Azolines; Imidazolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003538.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003538.txt index 9b745e65c43..86665d8b7d3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003538.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003538.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003538 -RECORD_TITLE: Methimazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Methimazole; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY PMRYVIKBURPHAH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020820 CH$LINK: ChemOnt CHEMONTID:0000079; Organic compounds; Organoheterocyclic compounds; Azolines; Imidazolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003539.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003539.txt index e3ca086f647..eb007be4a66 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003539.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003539.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003539 -RECORD_TITLE: Methimazole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Methimazole; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY PMRYVIKBURPHAH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020820 CH$LINK: ChemOnt CHEMONTID:0000079; Organic compounds; Organoheterocyclic compounds; Azolines; Imidazolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003540.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003540.txt index 996157199b6..e52282b7110 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003540.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003540.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003540 -RECORD_TITLE: Methimazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Methimazole; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY PMRYVIKBURPHAH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020820 CH$LINK: ChemOnt CHEMONTID:0000079; Organic compounds; Organoheterocyclic compounds; Azolines; Imidazolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003541.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003541.txt index cb136092423..ec2465ff4b4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003541.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003541.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003541 -RECORD_TITLE: Methimazole; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Methimazole; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY PMRYVIKBURPHAH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4020820 CH$LINK: ChemOnt CHEMONTID:0000079; Organic compounds; Organoheterocyclic compounds; Azolines; Imidazolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003542.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003542.txt index 05c82039db7..10ca091cbb9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003542.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003542.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003542 -RECORD_TITLE: N-Methylanthranilic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: N-Methylanthranilic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WVMBPWMAQDVZCM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059491 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003543.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003543.txt index fbcc652e751..b515d85b318 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003543.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003543.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003543 -RECORD_TITLE: N-Methylanthranilic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: N-Methylanthranilic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WVMBPWMAQDVZCM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059491 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003544.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003544.txt index e5e97d82030..48317c3f655 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003544.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003544.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003544 -RECORD_TITLE: N-Methylanthranilic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: N-Methylanthranilic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WVMBPWMAQDVZCM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059491 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003545.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003545.txt index 2cefe1c2c3b..2605557ee6b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003545.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003545.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003545 -RECORD_TITLE: N-Methylanthranilic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: N-Methylanthranilic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WVMBPWMAQDVZCM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059491 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003546.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003546.txt index 6dda5ccd221..63c519905c5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003546.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003546.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003546 -RECORD_TITLE: N-Methylanthranilic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: N-Methylanthranilic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WVMBPWMAQDVZCM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6059491 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003547.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003547.txt index ec8eabd2177..8e95a03bd3f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003547.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003547.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003547 -RECORD_TITLE: 4,4'-Methylene bis(o-chloroaniline); LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 4,4'-Methylene bis(o-chloroaniline); LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IBOFVQJTBBUKMU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020865 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003548.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003548.txt index 03a4000713a..cea5e0d6642 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003548.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003548.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003548 -RECORD_TITLE: 4,4'-Methylene bis(o-chloroaniline); LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 4,4'-Methylene bis(o-chloroaniline); LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IBOFVQJTBBUKMU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020865 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003549.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003549.txt index b4949c01012..f9c6d33529c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003549.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003549.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003549 -RECORD_TITLE: 4,4'-Methylene bis(o-chloroaniline); LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 4,4'-Methylene bis(o-chloroaniline); LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IBOFVQJTBBUKMU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020865 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003550.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003550.txt index 822b754b263..72fc530d958 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003550.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003550.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003550 -RECORD_TITLE: 4,4'-Methylene bis(o-chloroaniline); LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 4,4'-Methylene bis(o-chloroaniline); LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IBOFVQJTBBUKMU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020865 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003551.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003551.txt index 6c06903a2ca..51b915989c1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003551.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003551.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003551 -RECORD_TITLE: 4,4'-Methylene bis(o-chloroaniline); LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 4,4'-Methylene bis(o-chloroaniline); LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IBOFVQJTBBUKMU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020865 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003552.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003552.txt index d74453b87bd..9b630dcf1e3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003552.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003552.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003552 -RECORD_TITLE: 2-Methylmercaptobenzothiazole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 2-Methylmercaptobenzothiazole; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY UTBVIMLZIRIFFR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70274236 CH$LINK: ChemOnt CHEMONTID:0000311; Organic compounds; Organoheterocyclic compounds; Benzothiazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003553.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003553.txt index 60a45b21dc1..53dc238753f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003553.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003553.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003553 -RECORD_TITLE: 2-Methylmercaptobenzothiazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 2-Methylmercaptobenzothiazole; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY UTBVIMLZIRIFFR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70274236 CH$LINK: ChemOnt CHEMONTID:0000311; Organic compounds; Organoheterocyclic compounds; Benzothiazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003554.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003554.txt index 5807fc0af63..37d1485b315 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003554.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003554.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003554 -RECORD_TITLE: 2-Methylmercaptobenzothiazole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 2-Methylmercaptobenzothiazole; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY UTBVIMLZIRIFFR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70274236 CH$LINK: ChemOnt CHEMONTID:0000311; Organic compounds; Organoheterocyclic compounds; Benzothiazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003555.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003555.txt index 60af246830c..76f10707796 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003555.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003555.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003555 -RECORD_TITLE: 2-Methylmercaptobenzothiazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 2-Methylmercaptobenzothiazole; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY UTBVIMLZIRIFFR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70274236 CH$LINK: ChemOnt CHEMONTID:0000311; Organic compounds; Organoheterocyclic compounds; Benzothiazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003556.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003556.txt index 0b6b88e9ed3..6ad2e5d8fa0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003556.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003556.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003556 -RECORD_TITLE: 2-Methylmercaptobenzothiazole; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 2-Methylmercaptobenzothiazole; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY UTBVIMLZIRIFFR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70274236 CH$LINK: ChemOnt CHEMONTID:0000311; Organic compounds; Organoheterocyclic compounds; Benzothiazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003557.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003557.txt index e893ca385b9..6f08f159fd2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003557.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003557.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003557 -RECORD_TITLE: Methysergide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Methysergide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KPJZHOPZRAFDTN-ZRGWGRIASA-N CH$LINK: COMPTOX DTXSID2023307 CH$LINK: ChemOnt CHEMONTID:0002680; Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003558.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003558.txt index 19db521d8fe..fd89ae08f0b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003558.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003558.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003558 -RECORD_TITLE: Methysergide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Methysergide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KPJZHOPZRAFDTN-ZRGWGRIASA-N CH$LINK: COMPTOX DTXSID2023307 CH$LINK: ChemOnt CHEMONTID:0002680; Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003559.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003559.txt index 6a492a295bc..e759274ea64 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003559.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003559.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003559 -RECORD_TITLE: Methysergide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Methysergide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KPJZHOPZRAFDTN-ZRGWGRIASA-N CH$LINK: COMPTOX DTXSID2023307 CH$LINK: ChemOnt CHEMONTID:0002680; Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003560.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003560.txt index 8226d2c2a98..69e17b9c47c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003560.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003560.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003560 -RECORD_TITLE: Methysergide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Methysergide; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KPJZHOPZRAFDTN-ZRGWGRIASA-N CH$LINK: COMPTOX DTXSID2023307 CH$LINK: ChemOnt CHEMONTID:0002680; Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003561.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003561.txt index 847f37f7c6a..fa605f9d8d0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003561.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003561.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003561 -RECORD_TITLE: Methysergide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Methysergide; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KPJZHOPZRAFDTN-ZRGWGRIASA-N CH$LINK: COMPTOX DTXSID2023307 CH$LINK: ChemOnt CHEMONTID:0002680; Organic compounds; Alkaloids and derivatives; Ergoline and derivatives; Lysergic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003562.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003562.txt index a9febee0955..8454eff5212 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003562.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003562.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003562 -RECORD_TITLE: Minocycline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Minocycline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY DYKFCLLONBREIL-KVUCHLLUSA-N CH$LINK: COMPTOX DTXSID1045033 CH$LINK: ChemOnt CHEMONTID:0000181; Organic compounds; Phenylpropanoids and polyketides; Tetracyclines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003563.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003563.txt index ce64bab9cfd..842a3914bfc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003563.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003563.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003563 -RECORD_TITLE: Minocycline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Minocycline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY DYKFCLLONBREIL-KVUCHLLUSA-N CH$LINK: COMPTOX DTXSID1045033 CH$LINK: ChemOnt CHEMONTID:0000181; Organic compounds; Phenylpropanoids and polyketides; Tetracyclines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003564.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003564.txt index baad6cebf74..ca96fbcef78 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003564.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003564.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003564 -RECORD_TITLE: Minocycline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Minocycline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY DYKFCLLONBREIL-KVUCHLLUSA-N CH$LINK: COMPTOX DTXSID1045033 CH$LINK: ChemOnt CHEMONTID:0000181; Organic compounds; Phenylpropanoids and polyketides; Tetracyclines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003565.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003565.txt index 8da4d035612..a3159274ba1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003565.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003565.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003565 -RECORD_TITLE: Minocycline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Minocycline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY DYKFCLLONBREIL-KVUCHLLUSA-N CH$LINK: COMPTOX DTXSID1045033 CH$LINK: ChemOnt CHEMONTID:0000181; Organic compounds; Phenylpropanoids and polyketides; Tetracyclines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003566.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003566.txt index fd416fa2624..82466195615 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003566.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003566.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003566 -RECORD_TITLE: Minocycline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Minocycline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY DYKFCLLONBREIL-KVUCHLLUSA-N CH$LINK: COMPTOX DTXSID1045033 CH$LINK: ChemOnt CHEMONTID:0000181; Organic compounds; Phenylpropanoids and polyketides; Tetracyclines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003567.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003567.txt index 3c6e36eb035..d15e9ba706f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003567.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003567.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003567 -RECORD_TITLE: Metaraminol; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Metaraminol; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY WXFIGDLSSYIKKV-RCOVLWMOSA-N CH$LINK: COMPTOX DTXSID8023268 CH$LINK: ChemOnt CHEMONTID:0002811; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003568.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003568.txt index a3f3c84117e..790347b8cb5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003568.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003568.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003568 -RECORD_TITLE: Metaraminol; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Metaraminol; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY WXFIGDLSSYIKKV-RCOVLWMOSA-N CH$LINK: COMPTOX DTXSID8023268 CH$LINK: ChemOnt CHEMONTID:0002811; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003569.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003569.txt index 32a052c94c0..697ab8ff8ea 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003569.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003569.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003569 -RECORD_TITLE: Metaraminol; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Metaraminol; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY WXFIGDLSSYIKKV-RCOVLWMOSA-N CH$LINK: COMPTOX DTXSID8023268 CH$LINK: ChemOnt CHEMONTID:0002811; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003570.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003570.txt index 5580aeb3c61..f6afc3667b0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003570.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003570.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003570 -RECORD_TITLE: Metaraminol; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Metaraminol; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY WXFIGDLSSYIKKV-RCOVLWMOSA-N CH$LINK: COMPTOX DTXSID8023268 CH$LINK: ChemOnt CHEMONTID:0002811; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003571.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003571.txt index a362533e156..cef05a02cdf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003571.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003571.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003571 -RECORD_TITLE: Metaraminol; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Metaraminol; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY WXFIGDLSSYIKKV-RCOVLWMOSA-N CH$LINK: COMPTOX DTXSID8023268 CH$LINK: ChemOnt CHEMONTID:0002811; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpropanes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003572.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003572.txt index df145446486..695ec1b86ab 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003572.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003572.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003572 -RECORD_TITLE: Methoxamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Methoxamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WJAJPNHVVFWKKL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023290 CH$LINK: ChemOnt CHEMONTID:0004113; Organic compounds; Benzenoids; Benzene and substituted derivatives; Methoxybenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003573.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003573.txt index b631d73301b..2671ad68849 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003573.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003573.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003573 -RECORD_TITLE: Methoxamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Methoxamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WJAJPNHVVFWKKL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023290 CH$LINK: ChemOnt CHEMONTID:0004113; Organic compounds; Benzenoids; Benzene and substituted derivatives; Methoxybenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003574.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003574.txt index 2bd4a914ba2..58b2ca8a3fd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003574.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003574.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003574 -RECORD_TITLE: Methoxamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Methoxamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WJAJPNHVVFWKKL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023290 CH$LINK: ChemOnt CHEMONTID:0004113; Organic compounds; Benzenoids; Benzene and substituted derivatives; Methoxybenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003575.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003575.txt index d774fa15c1b..ad20e29bda5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003575.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003575.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003575 -RECORD_TITLE: Methoxamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Methoxamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WJAJPNHVVFWKKL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023290 CH$LINK: ChemOnt CHEMONTID:0004113; Organic compounds; Benzenoids; Benzene and substituted derivatives; Methoxybenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003576.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003576.txt index f7caa57ec97..56bd7213817 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003576.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003576.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003576 -RECORD_TITLE: Methoxamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Methoxamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WJAJPNHVVFWKKL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023290 CH$LINK: ChemOnt CHEMONTID:0004113; Organic compounds; Benzenoids; Benzene and substituted derivatives; Methoxybenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003577.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003577.txt index 427e7d85886..f046f28cd1c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003577.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003577.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003577 -RECORD_TITLE: Myosmine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Myosmine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DPNGWXJMIILTBS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70891866 CH$LINK: ChemOnt CHEMONTID:0000089; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003578.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003578.txt index 43fa290ddf6..ddd60591d49 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003578.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003578.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003578 -RECORD_TITLE: Myosmine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Myosmine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DPNGWXJMIILTBS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70891866 CH$LINK: ChemOnt CHEMONTID:0000089; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003579.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003579.txt index a222bed11d9..d4362daa568 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003579.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003579.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003579 -RECORD_TITLE: Myosmine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Myosmine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DPNGWXJMIILTBS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70891866 CH$LINK: ChemOnt CHEMONTID:0000089; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003580.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003580.txt index 6ed3867c782..f817065f2b1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003580.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003580.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003580 -RECORD_TITLE: Myosmine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Myosmine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DPNGWXJMIILTBS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70891866 CH$LINK: ChemOnt CHEMONTID:0000089; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003581.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003581.txt index 8f31cf04729..6acb19eb166 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003581.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003581.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003581 -RECORD_TITLE: Myosmine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Myosmine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DPNGWXJMIILTBS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70891866 CH$LINK: ChemOnt CHEMONTID:0000089; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003582.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003582.txt index 9be6a198b8c..1b55531b2a2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003582.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003582.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003582 -RECORD_TITLE: Niacinamide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Niacinamide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY DFPAKSUCGFBDDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020929 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003583.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003583.txt index 47e1b064b05..8d435c5e31e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003583.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003583.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003583 -RECORD_TITLE: Niacinamide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Niacinamide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY DFPAKSUCGFBDDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020929 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003584.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003584.txt index d59903882fb..93aa8ae55f3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003584.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003584.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003584 -RECORD_TITLE: Niacinamide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Niacinamide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY DFPAKSUCGFBDDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020929 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003585.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003585.txt index 0c3a9b3e3fc..b91459d9c19 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003585.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003585.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003585 -RECORD_TITLE: Niacinamide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Niacinamide; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY DFPAKSUCGFBDDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020929 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003586.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003586.txt index 3b0b4fc4ea1..625e5b87661 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003586.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003586.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003586 -RECORD_TITLE: Niacinamide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Niacinamide; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY DFPAKSUCGFBDDF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2020929 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003587.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003587.txt index 65d83b0dfea..c7a5aa94183 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003587.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003587.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003587 -RECORD_TITLE: Nicotinic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Nicotinic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY PVNIIMVLHYAWGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020932 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003588.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003588.txt index d51bd10b46c..27cfd97c695 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003588.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003588.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003588 -RECORD_TITLE: Nicotinic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Nicotinic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY PVNIIMVLHYAWGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020932 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003589.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003589.txt index 8c978549775..8980bf6e868 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003589.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003589.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003589 -RECORD_TITLE: Nicotinic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Nicotinic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY PVNIIMVLHYAWGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020932 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003590.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003590.txt index 30ad0c8cc1f..93459c12958 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003590.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003590.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003590 -RECORD_TITLE: Nicotinic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Nicotinic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY PVNIIMVLHYAWGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020932 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003591.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003591.txt index ddbcc564168..298f68fe8b1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003591.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003591.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003591 -RECORD_TITLE: Nicotinic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Nicotinic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY PVNIIMVLHYAWGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020932 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003592.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003592.txt index bc5af7c9d5a..80d9211d62b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003592.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003592.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003592 -RECORD_TITLE: Norvaline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Norvaline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:65098 CH$LINK: INCHIKEY SNDPXSYFESPGGJ-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003593.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003593.txt index 3965f866678..758fe227074 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003593.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003593.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003593 -RECORD_TITLE: Norvaline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Norvaline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:65098 CH$LINK: INCHIKEY SNDPXSYFESPGGJ-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003594.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003594.txt index 947091251cc..0ec7509a787 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003594.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003594.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003594 -RECORD_TITLE: Norvaline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Norvaline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:65098 CH$LINK: INCHIKEY SNDPXSYFESPGGJ-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003595.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003595.txt index 012181da010..38677b68a9f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003595.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003595.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003595 -RECORD_TITLE: Norvaline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Norvaline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:65098 CH$LINK: INCHIKEY SNDPXSYFESPGGJ-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003596.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003596.txt index 5f131813f0b..086250f077b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003596.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003596.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003596 -RECORD_TITLE: Norvaline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Norvaline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:65098 CH$LINK: INCHIKEY SNDPXSYFESPGGJ-BYPYZUCNSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003597.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003597.txt index 80f19b1db7e..60df38ee8f0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003597.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003597.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003597 -RECORD_TITLE: Norleucine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Norleucine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY LRQKBLKVPFOOQJ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70883362 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003598.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003598.txt index 7f961cede7f..81907bbd799 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003598.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003598.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003598 -RECORD_TITLE: Norleucine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Norleucine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY LRQKBLKVPFOOQJ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70883362 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003599.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003599.txt index 00ef01372a0..27b6330fd56 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003599.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003599.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003599 -RECORD_TITLE: Norleucine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Norleucine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY LRQKBLKVPFOOQJ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70883362 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003600.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003600.txt index 5cd4c4efc7a..c72bb761000 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003600.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003600.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003600 -RECORD_TITLE: Norleucine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Norleucine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY LRQKBLKVPFOOQJ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70883362 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003601.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003601.txt index 4996fbd632c..134cce0aad7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003601.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003601 -RECORD_TITLE: Norleucine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Norleucine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY LRQKBLKVPFOOQJ-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID70883362 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003602.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003602.txt index 088ddecaf8f..b003fb3146e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003602.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003602 -RECORD_TITLE: (-)-Nicotine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: (-)-Nicotine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SNICXCGAKADSCV-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID1020930 CH$LINK: ChemOnt CHEMONTID:0001975; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrrolidinylpyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003603.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003603.txt index 75607fd3488..47a66faeb8f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003603.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003603 -RECORD_TITLE: (-)-Nicotine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: (-)-Nicotine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SNICXCGAKADSCV-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID1020930 CH$LINK: ChemOnt CHEMONTID:0001975; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrrolidinylpyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003604.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003604.txt index 3d235e61f7c..ed791b8ba22 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003604.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003604 -RECORD_TITLE: (-)-Nicotine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: (-)-Nicotine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SNICXCGAKADSCV-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID1020930 CH$LINK: ChemOnt CHEMONTID:0001975; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrrolidinylpyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003605.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003605.txt index f0ec1dddd36..a49b2455117 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003605.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003605 -RECORD_TITLE: (-)-Nicotine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: (-)-Nicotine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SNICXCGAKADSCV-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID1020930 CH$LINK: ChemOnt CHEMONTID:0001975; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrrolidinylpyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003606.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003606.txt index 12ef3e99aa7..7100f42299b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003606.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003606.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003606 -RECORD_TITLE: (-)-Nicotine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: (-)-Nicotine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SNICXCGAKADSCV-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID1020930 CH$LINK: ChemOnt CHEMONTID:0001975; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrrolidinylpyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003607.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003607.txt index 0a5a72574f7..8fd2bbc17b3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003607.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003607 -RECORD_TITLE: Neomycin B; LC-ESI-QQ; MS2; CE:10 V; [M+2H]++ +RECORD_TITLE: Neomycin B; LC-ESI-QQQ; MS2; CE:10 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:8378 CH$LINK: INCHIKEY PGBHMTALBVVCIT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003608.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003608.txt index 5ad9defb7b8..8cda85cfe83 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003608.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003608 -RECORD_TITLE: Neomycin B; LC-ESI-QQ; MS2; CE:20 V; [M+2H]++ +RECORD_TITLE: Neomycin B; LC-ESI-QQQ; MS2; CE:20 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:8378 CH$LINK: INCHIKEY PGBHMTALBVVCIT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003609.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003609.txt index c82ca8d4c35..c42330ba581 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003609.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003609.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003609 -RECORD_TITLE: Neomycin B; LC-ESI-QQ; MS2; CE:30 V; [M+2H]++ +RECORD_TITLE: Neomycin B; LC-ESI-QQQ; MS2; CE:30 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:8378 CH$LINK: INCHIKEY PGBHMTALBVVCIT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003610.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003610.txt index 1c1cdadfd09..d3b33a8cdc5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003610.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003610.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003610 -RECORD_TITLE: Neomycin B; LC-ESI-QQ; MS2; CE:40 V; [M+2H]++ +RECORD_TITLE: Neomycin B; LC-ESI-QQQ; MS2; CE:40 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:8378 CH$LINK: INCHIKEY PGBHMTALBVVCIT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003611.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003611.txt index 751f68b833c..8106285d2c1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003611.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003611.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003611 -RECORD_TITLE: Neomycin B; LC-ESI-QQ; MS2; CE:50 V; [M+2H]++ +RECORD_TITLE: Neomycin B; LC-ESI-QQQ; MS2; CE:50 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:8378 CH$LINK: INCHIKEY PGBHMTALBVVCIT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003612.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003612.txt index bc437b540bd..096f78bb799 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003612.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003612.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003612 -RECORD_TITLE: (-)-Norepinephrine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: (-)-Norepinephrine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY SFLSHLFXELFNJZ-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID5023378 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003613.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003613.txt index 4b43f323734..4e565225136 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003613.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003613.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003613 -RECORD_TITLE: (-)-Norepinephrine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: (-)-Norepinephrine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY SFLSHLFXELFNJZ-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID5023378 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003614.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003614.txt index aec0bee36a5..99676770f72 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003614.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003614.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003614 -RECORD_TITLE: (-)-Norepinephrine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: (-)-Norepinephrine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY SFLSHLFXELFNJZ-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID5023378 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003615.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003615.txt index ad1b3f8ba09..85898535bc8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003615.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003615.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003615 -RECORD_TITLE: (-)-Norepinephrine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: (-)-Norepinephrine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY SFLSHLFXELFNJZ-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID5023378 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003616.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003616.txt index 3f345b2883c..0c021ce41da 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003616.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003616.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003616 -RECORD_TITLE: (-)-Norepinephrine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: (-)-Norepinephrine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY SFLSHLFXELFNJZ-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID5023378 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003617.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003617.txt index def95fe599e..627bedcf86c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003617.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003617.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003617 -RECORD_TITLE: Neostigmine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Neostigmine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY ALWKGYPQUAPLQC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1023360 CH$LINK: ChemOnt CHEMONTID:0004742; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxy compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003618.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003618.txt index c693080b315..d6c9e60335b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003618.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003618.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003618 -RECORD_TITLE: Neostigmine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Neostigmine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY ALWKGYPQUAPLQC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1023360 CH$LINK: ChemOnt CHEMONTID:0004742; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxy compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003619.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003619.txt index 24cbd6cce5d..1505e788245 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003619.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003619.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003619 -RECORD_TITLE: Neostigmine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Neostigmine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY ALWKGYPQUAPLQC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1023360 CH$LINK: ChemOnt CHEMONTID:0004742; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxy compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003620.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003620.txt index 0263222410b..b44030c1808 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003620.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003620.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003620 -RECORD_TITLE: Neostigmine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Neostigmine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY ALWKGYPQUAPLQC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1023360 CH$LINK: ChemOnt CHEMONTID:0004742; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxy compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003621.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003621.txt index bed08696545..ac340d7b65d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003621.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003621.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003621 -RECORD_TITLE: Neostigmine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Neostigmine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY ALWKGYPQUAPLQC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1023360 CH$LINK: ChemOnt CHEMONTID:0004742; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxy compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003627.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003627.txt index 1b2a5b97d7b..4e5c7dfb099 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003627.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003627.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003627 -RECORD_TITLE: Nalidixic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Nalidixic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MHWLWQUZZRMNGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020912 CH$LINK: ChemOnt CHEMONTID:0001857; Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Naphthyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003628.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003628.txt index 4d60bbcac4a..8fc6f4b2d7a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003628.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003628.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003628 -RECORD_TITLE: Nalidixic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Nalidixic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MHWLWQUZZRMNGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020912 CH$LINK: ChemOnt CHEMONTID:0001857; Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Naphthyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003629.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003629.txt index c3754baebb0..fe339af03af 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003629.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003629.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003629 -RECORD_TITLE: Nalidixic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Nalidixic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MHWLWQUZZRMNGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020912 CH$LINK: ChemOnt CHEMONTID:0001857; Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Naphthyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003630.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003630.txt index 101a1cd91b1..e6c1898e3b6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003630.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003630.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003630 -RECORD_TITLE: Nalidixic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Nalidixic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MHWLWQUZZRMNGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020912 CH$LINK: ChemOnt CHEMONTID:0001857; Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Naphthyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003631.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003631.txt index 39865039f88..8a439a408af 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003631.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003631.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003631 -RECORD_TITLE: Nalidixic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Nalidixic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY MHWLWQUZZRMNGJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020912 CH$LINK: ChemOnt CHEMONTID:0001857; Organic compounds; Organoheterocyclic compounds; Diazanaphthalenes; Naphthyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003632.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003632.txt index 8aac4072a52..80e590059a9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003632.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003632.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003632 -RECORD_TITLE: L-Ornithine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-Ornithine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY AHLPHDHHMVZTML-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID00883219 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003633.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003633.txt index 2866ee740f0..1474ece49d9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003633.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003633.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003633 -RECORD_TITLE: L-Ornithine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-Ornithine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY AHLPHDHHMVZTML-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID00883219 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003634.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003634.txt index 09367021e24..6585027cfa7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003634.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003634.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003634 -RECORD_TITLE: L-Ornithine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-Ornithine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY AHLPHDHHMVZTML-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID00883219 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003635.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003635.txt index ec0da9291c7..4c183410f01 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003635.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003635.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003635 -RECORD_TITLE: L-Ornithine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-Ornithine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY AHLPHDHHMVZTML-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID00883219 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003636.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003636.txt index 5d9458a8b7e..0ed038de7c2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003636.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003636.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003636 -RECORD_TITLE: L-Ornithine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-Ornithine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY AHLPHDHHMVZTML-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID00883219 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003637.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003637.txt index 47ec5a9229b..f85334976ac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003637.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003637.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003637 -RECORD_TITLE: D-Ornithine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: D-Ornithine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY AHLPHDHHMVZTML-SCSAIBSYSA-N CH$LINK: COMPTOX DTXSID30883368 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003638.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003638.txt index 2cf38028ca9..eaccd301a3d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003638.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003638.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003638 -RECORD_TITLE: D-Ornithine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: D-Ornithine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY AHLPHDHHMVZTML-SCSAIBSYSA-N CH$LINK: COMPTOX DTXSID30883368 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003639.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003639.txt index 85c518e9613..783a182f0f0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003639.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003639.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003639 -RECORD_TITLE: D-Ornithine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: D-Ornithine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY AHLPHDHHMVZTML-SCSAIBSYSA-N CH$LINK: COMPTOX DTXSID30883368 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003640.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003640.txt index 20b7c4ce69b..d0f1761385c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003640.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003640.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003640 -RECORD_TITLE: D-Ornithine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: D-Ornithine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY AHLPHDHHMVZTML-SCSAIBSYSA-N CH$LINK: COMPTOX DTXSID30883368 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003641.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003641.txt index 9a5c0092006..195557cd00c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003641.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003641.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003641 -RECORD_TITLE: D-Ornithine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: D-Ornithine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY AHLPHDHHMVZTML-SCSAIBSYSA-N CH$LINK: COMPTOX DTXSID30883368 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003642.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003642.txt index 72d8c251172..17c40949889 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003642.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003642.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003642 -RECORD_TITLE: Octylamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Octylamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IOQPZZOEVPZRBK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021939 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003643.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003643.txt index e97a0121b4c..83adb079dcc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003643.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003643.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003643 -RECORD_TITLE: Octylamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Octylamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IOQPZZOEVPZRBK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021939 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003644.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003644.txt index b826bc0c25b..822b9beb6bb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003644.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003644.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003644 -RECORD_TITLE: Octylamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Octylamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IOQPZZOEVPZRBK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021939 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003645.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003645.txt index d645a9c418c..0d21c83fb27 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003645.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003645.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003645 -RECORD_TITLE: Octylamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Octylamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IOQPZZOEVPZRBK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021939 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003646.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003646.txt index e41021caad6..e6df178460f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003646.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003646.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003646 -RECORD_TITLE: Octylamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Octylamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IOQPZZOEVPZRBK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021939 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003647.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003647.txt index 17b43a0f1eb..ad48c099deb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003647.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003647.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003647 -RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003648.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003648.txt index f07684de7e2..71e7442fbdb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003648.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003648.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003648 -RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003649.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003649.txt index 02e40e2389b..7944a4db6e4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003649.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003649.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003649 -RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003650.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003650.txt index 23fd8d79cba..6de0ec8cd46 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003650.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003650.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003650 -RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003651.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003651.txt index 456462520c7..d8d8feeebc9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003651.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003651.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003651 -RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003652.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003652.txt index 86c106d5eee..925cbe59d2e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003652.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003652.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003652 -RECORD_TITLE: Octopine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Octopine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY IMXSCCDUAFEIOE-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID50487423 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003653.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003653.txt index 83c48a2578d..ff4ffdb3dd5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003653.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003653.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003653 -RECORD_TITLE: Octopine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Octopine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY IMXSCCDUAFEIOE-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID50487423 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003654.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003654.txt index 7be8e8b3a98..cdc701febcc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003654.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003654.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003654 -RECORD_TITLE: Octopine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Octopine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY IMXSCCDUAFEIOE-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID50487423 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003655.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003655.txt index 563e0ef4d90..362036723cb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003655.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003655.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003655 -RECORD_TITLE: Octopine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Octopine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY IMXSCCDUAFEIOE-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID50487423 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003656.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003656.txt index 11fe9e36c26..7f0c9d4087f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003656.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003656.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003656 -RECORD_TITLE: Octopine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Octopine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY IMXSCCDUAFEIOE-WDSKDSINSA-N CH$LINK: COMPTOX DTXSID50487423 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003657.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003657.txt index 489e8971ea1..63f9009e031 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003657.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003657.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003657 -RECORD_TITLE: Orotidine 5'-monophosphate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Orotidine 5'-monophosphate; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:160617 CH$LINK: INCHIKEY KYOBSHFOBAOFBF-XVFCMESISA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003658.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003658.txt index 186683ca438..e65e794e7ee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003658.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003658.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003658 -RECORD_TITLE: Orotidine 5'-monophosphate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Orotidine 5'-monophosphate; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:160617 CH$LINK: INCHIKEY KYOBSHFOBAOFBF-XVFCMESISA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003659.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003659.txt index c19c2970ed5..19b8671f31e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003659.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003659.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003659 -RECORD_TITLE: Orotidine 5'-monophosphate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Orotidine 5'-monophosphate; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:160617 CH$LINK: INCHIKEY KYOBSHFOBAOFBF-XVFCMESISA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003660.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003660.txt index 6efb4962114..eb7a11b8eb3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003660.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003660.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003660 -RECORD_TITLE: Orotidine 5'-monophosphate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Orotidine 5'-monophosphate; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:160617 CH$LINK: INCHIKEY KYOBSHFOBAOFBF-XVFCMESISA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003661.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003661.txt index 48f7f13cac2..d8234f9e33c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003661.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003661.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003661 -RECORD_TITLE: Oleandomycin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Oleandomycin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:72493 CH$LINK: INCHIKEY RZPAKFUAFGMUPI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003662.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003662.txt index 4b3c7f022b6..bf4a1dea27d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003662.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003662.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003662 -RECORD_TITLE: Oleandomycin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Oleandomycin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:72493 CH$LINK: INCHIKEY RZPAKFUAFGMUPI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003663.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003663.txt index dcba401a26a..1d0667534be 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003663.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003663.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003663 -RECORD_TITLE: Oleandomycin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Oleandomycin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:72493 CH$LINK: INCHIKEY RZPAKFUAFGMUPI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003664.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003664.txt index d98fd19f144..4cad32df8ba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003664.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003664.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003664 -RECORD_TITLE: Oleandomycin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Oleandomycin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:72493 CH$LINK: INCHIKEY RZPAKFUAFGMUPI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003665.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003665.txt index 7681ca595ff..6c83a5a2d29 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003665.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003665.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003665 -RECORD_TITLE: Oleandomycin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Oleandomycin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:72493 CH$LINK: INCHIKEY RZPAKFUAFGMUPI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003666.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003666.txt index 68ddcb45719..c484fd8b0e2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003666.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003666.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003666 -RECORD_TITLE: L-(-)-Phenylalanine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-(-)-Phenylalanine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY COLNVLDHVKWLRT-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID4040763 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003667.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003667.txt index 4d08080a585..7e286f93652 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003667.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003667.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003667 -RECORD_TITLE: L-(-)-Phenylalanine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-(-)-Phenylalanine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY COLNVLDHVKWLRT-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID4040763 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003668.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003668.txt index de497209270..c952ddc332e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003668.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003668.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003668 -RECORD_TITLE: L-(-)-Phenylalanine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-(-)-Phenylalanine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY COLNVLDHVKWLRT-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID4040763 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003669.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003669.txt index 25c7abeec52..a172cea8e65 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003669.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003669.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003669 -RECORD_TITLE: L-(-)-Phenylalanine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-(-)-Phenylalanine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY COLNVLDHVKWLRT-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID4040763 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003670.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003670.txt index 09c942596a7..78ebb841c72 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003670.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003670.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003670 -RECORD_TITLE: L-(-)-Phenylalanine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-(-)-Phenylalanine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY COLNVLDHVKWLRT-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID4040763 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003671.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003671.txt index 4db40606968..73dfb03ea84 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003671.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003671.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003671 -RECORD_TITLE: L-(-)-Proline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-(-)-Proline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ONIBWKKTOPOVIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5044021 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003672.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003672.txt index d9d58398730..a52fc1167b4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003672.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003672.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003672 -RECORD_TITLE: L-(-)-Proline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-(-)-Proline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ONIBWKKTOPOVIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5044021 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003673.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003673.txt index d6a027d0961..c7356d2dac3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003673.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003673.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003673 -RECORD_TITLE: L-(-)-Proline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-(-)-Proline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ONIBWKKTOPOVIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5044021 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003674.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003674.txt index a26450ed075..e6ed809fe1a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003674.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003674.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003674 -RECORD_TITLE: L-(-)-Proline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-(-)-Proline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ONIBWKKTOPOVIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5044021 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003675.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003675.txt index d9b28879271..ba7245bb43c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003675.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003675.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003675 -RECORD_TITLE: L-(-)-Proline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-(-)-Proline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ONIBWKKTOPOVIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5044021 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003676.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003676.txt index 4e4338515af..bd025d176ad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003676.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003676.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003676 -RECORD_TITLE: Phosphoenolpyruvic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Phosphoenolpyruvic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DTBNBXWJWCWCIK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80861797 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003677.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003677.txt index 2699eb96e37..ca170be8a2b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003677.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003677.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003677 -RECORD_TITLE: Phosphoenolpyruvic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Phosphoenolpyruvic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DTBNBXWJWCWCIK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80861797 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003678.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003678.txt index 87707ebb7cb..09c616ad4eb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003678.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003678.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003678 -RECORD_TITLE: Phosphoenolpyruvic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Phosphoenolpyruvic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DTBNBXWJWCWCIK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80861797 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003679.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003679.txt index 1e530d25fa7..89734a27f26 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003679.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003679.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003679 -RECORD_TITLE: Phosphoenolpyruvic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Phosphoenolpyruvic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DTBNBXWJWCWCIK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80861797 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003680.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003680.txt index d901c6a33b7..4fe851b0c0c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003680.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003680.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003680 -RECORD_TITLE: Phosphoenolpyruvic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Phosphoenolpyruvic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY DTBNBXWJWCWCIK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80861797 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003681.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003681.txt index 58cafacf706..eebdfbb6b6c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003681.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003681.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003681 -RECORD_TITLE: Pyridoxal; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Pyridoxal; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RADKZDMFGJYCBB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4046020 CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003682.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003682.txt index 23745d28086..8112a8211ba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003682.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003682.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003682 -RECORD_TITLE: Pyridoxal; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Pyridoxal; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RADKZDMFGJYCBB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4046020 CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003683.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003683.txt index 6fd8873c9d0..dd945320244 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003683.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003683.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003683 -RECORD_TITLE: Pyridoxal; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Pyridoxal; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RADKZDMFGJYCBB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4046020 CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003684.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003684.txt index 9fe71720939..c2f9a035b71 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003684.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003684.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003684 -RECORD_TITLE: Pyridoxal; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Pyridoxal; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RADKZDMFGJYCBB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4046020 CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003685.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003685.txt index 07ef08e67f5..c798e78eb7b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003685.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003685.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003685 -RECORD_TITLE: Pyridoxal; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Pyridoxal; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RADKZDMFGJYCBB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4046020 CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003686.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003686.txt index 7cd72ae2984..10c11c6dc58 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003686.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003686.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003686 -RECORD_TITLE: 3-Phosphoglycerate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 3-Phosphoglycerate; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:724 CH$LINK: INCHIKEY OSJPPGNTCRNQQC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003687.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003687.txt index ca1beb00335..a2aba5a7d46 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003687.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003687.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003687 -RECORD_TITLE: 3-Phosphoglycerate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 3-Phosphoglycerate; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:724 CH$LINK: INCHIKEY OSJPPGNTCRNQQC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003688.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003688.txt index fd42893433a..f4cdc37386e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003688.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003688.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003688 -RECORD_TITLE: 3-Phosphoglycerate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 3-Phosphoglycerate; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:724 CH$LINK: INCHIKEY OSJPPGNTCRNQQC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003689.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003689.txt index fc148250524..0050dae2b76 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003689.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003689.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003689 -RECORD_TITLE: 3-Phosphoglycerate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 3-Phosphoglycerate; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:724 CH$LINK: INCHIKEY OSJPPGNTCRNQQC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003690.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003690.txt index ea8d5cfaf02..9e90c194cd8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003690.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003690.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003690 -RECORD_TITLE: 2-Phosphoglycerate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 2-Phosphoglycerate; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439278 CH$LINK: INCHIKEY GXIURPTVHJPJLF-UWTATZPHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003691.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003691.txt index 67bc7516c7e..053c6dfb531 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003691.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003691.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003691 -RECORD_TITLE: 2-Phosphoglycerate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 2-Phosphoglycerate; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439278 CH$LINK: INCHIKEY GXIURPTVHJPJLF-UWTATZPHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003692.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003692.txt index cda9ea64187..d84191c45f8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003692.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003692.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003692 -RECORD_TITLE: 2-Phosphoglycerate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 2-Phosphoglycerate; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439278 CH$LINK: INCHIKEY GXIURPTVHJPJLF-UWTATZPHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003693.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003693.txt index 3510ea1a34d..6435dfa32f3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003693.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003693.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003693 -RECORD_TITLE: 2-Phosphoglycerate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 2-Phosphoglycerate; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439278 CH$LINK: INCHIKEY GXIURPTVHJPJLF-UWTATZPHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003694.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003694.txt index 0c91a90654d..72058a6154e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003694.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003694.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003694 -RECORD_TITLE: 2-Phosphoglycerate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 2-Phosphoglycerate; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439278 CH$LINK: INCHIKEY GXIURPTVHJPJLF-UWTATZPHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003695.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003695.txt index 76838db4d28..eae45eeb660 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003695.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003695.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003695 -RECORD_TITLE: D-(+)-Pantothenic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: D-(+)-Pantothenic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY GHOKWGTUZJEAQD-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID9023417 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003696.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003696.txt index 67e38b6ddac..9c8860d2d4d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003696.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003696.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003696 -RECORD_TITLE: D-(+)-Pantothenic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: D-(+)-Pantothenic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY GHOKWGTUZJEAQD-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID9023417 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003697.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003697.txt index ea4ba31cd09..a9146e89d52 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003697.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003697.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003697 -RECORD_TITLE: D-(+)-Pantothenic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: D-(+)-Pantothenic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY GHOKWGTUZJEAQD-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID9023417 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003698.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003698.txt index 9865ba5b463..8ad0616c70a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003698.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003698.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003698 -RECORD_TITLE: D-(+)-Pantothenic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: D-(+)-Pantothenic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY GHOKWGTUZJEAQD-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID9023417 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003699.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003699.txt index 4a26b424f3e..24c0cde0baf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003699.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003699.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003699 -RECORD_TITLE: D-(+)-Pantothenic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: D-(+)-Pantothenic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY GHOKWGTUZJEAQD-ZETCQYMHSA-N CH$LINK: COMPTOX DTXSID9023417 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003700.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003700.txt index 72a3b90a519..90c02a37b3b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003700.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003700.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003700 -RECORD_TITLE: Phenyl phosphate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Phenyl phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY CMPQUABWPXYYSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6044981 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003701.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003701.txt index d78c30ef2c0..67482bcf7f7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003701.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003701 -RECORD_TITLE: Phenyl phosphate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Phenyl phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY CMPQUABWPXYYSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6044981 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003702.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003702.txt index 48adc824fc8..adc7a4f9c2d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003702.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003702 -RECORD_TITLE: Phenyl phosphate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Phenyl phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY CMPQUABWPXYYSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6044981 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003703.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003703.txt index 50b3dad8651..4c014202904 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003703.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003703 -RECORD_TITLE: Phenyl phosphate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Phenyl phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY CMPQUABWPXYYSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6044981 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003704.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003704.txt index 55c736fdf3d..94bf28bfb85 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003704.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003704 -RECORD_TITLE: Phenyl phosphate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Phenyl phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY CMPQUABWPXYYSH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6044981 CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003705.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003705.txt index 554a52a73f3..3dd88b18b31 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003705.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003705 -RECORD_TITLE: Piperidine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Piperidine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NQRYJNQNLNOLGT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021165 CH$LINK: ChemOnt CHEMONTID:0000195; Organic compounds; Organoheterocyclic compounds; Piperidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003706.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003706.txt index 0a3b7de4a16..3ced6e87cb5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003706.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003706.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003706 -RECORD_TITLE: Piperidine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Piperidine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NQRYJNQNLNOLGT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021165 CH$LINK: ChemOnt CHEMONTID:0000195; Organic compounds; Organoheterocyclic compounds; Piperidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003707.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003707.txt index 46f27c05539..01f0274c958 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003707.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003707 -RECORD_TITLE: Piperidine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Piperidine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NQRYJNQNLNOLGT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021165 CH$LINK: ChemOnt CHEMONTID:0000195; Organic compounds; Organoheterocyclic compounds; Piperidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003708.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003708.txt index 65a409bf10b..3b7280afabe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003708.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003708 -RECORD_TITLE: Piperidine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Piperidine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NQRYJNQNLNOLGT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021165 CH$LINK: ChemOnt CHEMONTID:0000195; Organic compounds; Organoheterocyclic compounds; Piperidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003709.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003709.txt index e66560c8c83..f3f40dda3f5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003709.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003709.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003709 -RECORD_TITLE: Piperidine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Piperidine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY NQRYJNQNLNOLGT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6021165 CH$LINK: ChemOnt CHEMONTID:0000195; Organic compounds; Organoheterocyclic compounds; Piperidines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003710.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003710.txt index f1029ca81af..2cccce0a71f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003710.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003710.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003710 -RECORD_TITLE: 1,3-Phenylenediamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 1,3-Phenylenediamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY WZCQRUWWHSTZEM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021137 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003711.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003711.txt index 32bc73d519e..2d6531a7c5d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003711.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003711.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003711 -RECORD_TITLE: 1,3-Phenylenediamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 1,3-Phenylenediamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY WZCQRUWWHSTZEM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021137 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003712.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003712.txt index c068a53a919..b942d56906b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003712.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003712.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003712 -RECORD_TITLE: 1,3-Phenylenediamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 1,3-Phenylenediamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY WZCQRUWWHSTZEM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021137 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003713.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003713.txt index 7c4968832a6..c41e8f8c9f2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003713.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003713.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003713 -RECORD_TITLE: 1,3-Phenylenediamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 1,3-Phenylenediamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY WZCQRUWWHSTZEM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021137 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003714.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003714.txt index 61c58698995..79b088a9b30 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003714.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003714.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003714 -RECORD_TITLE: 1,3-Phenylenediamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 1,3-Phenylenediamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY WZCQRUWWHSTZEM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021137 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003715.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003715.txt index 6dcb627eda8..127ad959c57 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003715.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003715.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003715 -RECORD_TITLE: Phenazopyridine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Phenazopyridine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:4756 CH$LINK: INCHIKEY QPFYXYFORQJZEC-FOCLMDBBSA-N CH$LINK: ChemOnt CHEMONTID:0000283; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003716.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003716.txt index a39b6b365d5..1a414b4616f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003716.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003716.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003716 -RECORD_TITLE: Phenazopyridine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Phenazopyridine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:4756 CH$LINK: INCHIKEY QPFYXYFORQJZEC-FOCLMDBBSA-N CH$LINK: ChemOnt CHEMONTID:0000283; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003717.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003717.txt index 16576d6e4eb..017d459b582 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003717.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003717.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003717 -RECORD_TITLE: Phenazopyridine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Phenazopyridine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:4756 CH$LINK: INCHIKEY QPFYXYFORQJZEC-FOCLMDBBSA-N CH$LINK: ChemOnt CHEMONTID:0000283; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003718.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003718.txt index 15daf310b3f..3ffef2471db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003718.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003718.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003718 -RECORD_TITLE: Phenazopyridine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Phenazopyridine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:4756 CH$LINK: INCHIKEY QPFYXYFORQJZEC-FOCLMDBBSA-N CH$LINK: ChemOnt CHEMONTID:0000283; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003719.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003719.txt index ad760cada5d..0d7078e0c29 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003719.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003719.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003719 -RECORD_TITLE: Phenazopyridine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Phenazopyridine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:4756 CH$LINK: INCHIKEY QPFYXYFORQJZEC-FOCLMDBBSA-N CH$LINK: ChemOnt CHEMONTID:0000283; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Aminopyridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003720.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003720.txt index 435d13f5d87..256092c3a12 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003720.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003720.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003720 -RECORD_TITLE: Piperacillin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Piperacillin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IVBHGBMCVLDMKU-GXNBUGAJSA-N CH$LINK: COMPTOX DTXSID2023482 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003721.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003721.txt index 2d4a8a7c005..b75b8db6797 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003721.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003721.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003721 -RECORD_TITLE: Piperacillin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Piperacillin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IVBHGBMCVLDMKU-GXNBUGAJSA-N CH$LINK: COMPTOX DTXSID2023482 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003722.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003722.txt index cc6b84a4d45..7d9c1382050 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003722.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003722.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003722 -RECORD_TITLE: Piperacillin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Piperacillin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IVBHGBMCVLDMKU-GXNBUGAJSA-N CH$LINK: COMPTOX DTXSID2023482 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003723.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003723.txt index 5cdc9de4a2f..33ef7046d23 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003723.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003723.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003723 -RECORD_TITLE: Pyridine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Pyridine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JUJWROOIHBZHMG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021924 CH$LINK: ChemOnt CHEMONTID:0000089; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003724.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003724.txt index c304d2e2a7e..8e6c257a019 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003724.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003724.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003724 -RECORD_TITLE: Pyridine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Pyridine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JUJWROOIHBZHMG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021924 CH$LINK: ChemOnt CHEMONTID:0000089; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003725.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003725.txt index 6c54b2627dc..fa5b96473e8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003725.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003725.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003725 -RECORD_TITLE: Pyridine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Pyridine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JUJWROOIHBZHMG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021924 CH$LINK: ChemOnt CHEMONTID:0000089; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003726.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003726.txt index 598ab13a342..b24e2ac8551 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003726.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003726.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003726 -RECORD_TITLE: Pyridine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Pyridine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JUJWROOIHBZHMG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021924 CH$LINK: ChemOnt CHEMONTID:0000089; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003727.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003727.txt index 515e9affc9d..4923277eb24 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003727.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003727.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003727 -RECORD_TITLE: Pyridine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Pyridine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY JUJWROOIHBZHMG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021924 CH$LINK: ChemOnt CHEMONTID:0000089; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003728.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003728.txt index e771ccabd0e..8c4e2359aa9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003728.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003728.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003728 -RECORD_TITLE: Picolinic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Picolinic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SIOXPEMLGUPBBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7031903 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003729.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003729.txt index 107e63ba7b4..fa892a93079 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003729.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003729.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003729 -RECORD_TITLE: Picolinic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Picolinic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SIOXPEMLGUPBBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7031903 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003730.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003730.txt index 363f9ee9005..e51be2da2b5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003730.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003730.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003730 -RECORD_TITLE: Picolinic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Picolinic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SIOXPEMLGUPBBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7031903 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003731.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003731.txt index 7d96d39e594..0814991efc8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003731.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003731.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003731 -RECORD_TITLE: Picolinic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Picolinic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SIOXPEMLGUPBBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7031903 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003732.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003732.txt index b4a21b66ac5..29d9af0366f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003732.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003732.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003732 -RECORD_TITLE: Picolinic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Picolinic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SIOXPEMLGUPBBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7031903 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003733.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003733.txt index 7e5a786e032..197a1e04fdf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003733.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003733.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003733 -RECORD_TITLE: Piperazine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Piperazine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GLUUGHFHXGJENI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021164 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003734.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003734.txt index 73e5b098784..0678e7c1517 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003734.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003734.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003734 -RECORD_TITLE: Piperazine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Piperazine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GLUUGHFHXGJENI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021164 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003735.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003735.txt index 3130e234043..563f6234869 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003735.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003735.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003735 -RECORD_TITLE: Piperazine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Piperazine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GLUUGHFHXGJENI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021164 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003736.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003736.txt index 7eda908c2d6..b8a53d37f3c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003736.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003736.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003736 -RECORD_TITLE: Piperazine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Piperazine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GLUUGHFHXGJENI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021164 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003737.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003737.txt index d3b2ee3aeba..f8a0736bdf4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003737.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003737.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003737 -RECORD_TITLE: Piperazine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Piperazine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GLUUGHFHXGJENI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021164 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003738.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003738.txt index 3afdc15616b..2a9cb418c2c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003738.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003738.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003738 -RECORD_TITLE: Phenylethylamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Phenylethylamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY BHHGXPLMPWCGHP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058773 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003739.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003739.txt index 2700ef28783..efea59f5bb4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003739.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003739.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003739 -RECORD_TITLE: Phenylethylamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Phenylethylamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY BHHGXPLMPWCGHP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058773 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003740.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003740.txt index 35cb19cad54..a3ff6ace889 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003740.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003740.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003740 -RECORD_TITLE: Phenylethylamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Phenylethylamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY BHHGXPLMPWCGHP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058773 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003741.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003741.txt index 3169ca153e4..f5bd4d7513b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003741.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003741.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003741 -RECORD_TITLE: Phenylethylamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Phenylethylamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY BHHGXPLMPWCGHP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058773 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003742.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003742.txt index f181e5239a8..887a633f8d8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003742.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003742.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003742 -RECORD_TITLE: Phenylethylamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Phenylethylamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY BHHGXPLMPWCGHP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058773 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003743.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003743.txt index b2de7401643..88ede185672 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003743.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003743.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003743 -RECORD_TITLE: DL-Pipecolic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: DL-Pipecolic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: PUBCHEM CID:439227 CH$LINK: INCHIKEY HXEACLLIILLPRG-YFKPBYRVSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003744.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003744.txt index 6bf4fb96a8d..e5ab59ef7a4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003744.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003744.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003744 -RECORD_TITLE: DL-Pipecolic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: DL-Pipecolic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: PUBCHEM CID:439227 CH$LINK: INCHIKEY HXEACLLIILLPRG-YFKPBYRVSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003745.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003745.txt index a2bed373a79..fa17d8cc602 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003745.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003745.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003745 -RECORD_TITLE: DL-Pipecolic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: DL-Pipecolic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: PUBCHEM CID:439227 CH$LINK: INCHIKEY HXEACLLIILLPRG-YFKPBYRVSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003746.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003746.txt index 226331d0085..d3121cb30fc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003746.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003746.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003746 -RECORD_TITLE: DL-Pipecolic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: DL-Pipecolic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: PUBCHEM CID:439227 CH$LINK: INCHIKEY HXEACLLIILLPRG-YFKPBYRVSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003747.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003747.txt index 66a365d2c56..61c08beac03 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003747.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003747.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003747 -RECORD_TITLE: DL-Pipecolic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: DL-Pipecolic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: PUBCHEM CID:439227 CH$LINK: INCHIKEY HXEACLLIILLPRG-YFKPBYRVSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003748.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003748.txt index 6075e2afee0..d5fda796eca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003748.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003748.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003748 -RECORD_TITLE: Purine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Purine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KDCGOANMDULRCW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5074470 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003749.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003749.txt index 494bd2b3ec6..47bbfd08cd5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003749.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003749.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003749 -RECORD_TITLE: Purine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Purine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KDCGOANMDULRCW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5074470 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003750.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003750.txt index 5930b4d6058..a93969b608a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003750.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003750.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003750 -RECORD_TITLE: Purine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Purine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KDCGOANMDULRCW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5074470 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003751.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003751.txt index 1efda162d16..a4c24782b6d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003751.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003751.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003751 -RECORD_TITLE: Purine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Purine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KDCGOANMDULRCW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5074470 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003752.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003752.txt index 66f24bb9b59..a49583cbee9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003752.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003752.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003752 -RECORD_TITLE: Purine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Purine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KDCGOANMDULRCW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5074470 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003753.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003753.txt index c1b76d44d2e..768ae73d793 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003753.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003753.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003753 -RECORD_TITLE: Pyridoxine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Pyridoxine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023541 CH$LINK: ChemOnt CHEMONTID:0001948; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003754.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003754.txt index 84b685e6e7a..7038cb6bf65 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003754.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003754.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003754 -RECORD_TITLE: Pyridoxine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Pyridoxine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023541 CH$LINK: ChemOnt CHEMONTID:0001948; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003755.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003755.txt index 6c17ead92cb..4075fe8844a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003755.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003755.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003755 -RECORD_TITLE: Pyridoxine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Pyridoxine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023541 CH$LINK: ChemOnt CHEMONTID:0001948; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003756.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003756.txt index 8b53826978e..2774db48b20 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003756.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003756.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003756 -RECORD_TITLE: Pyridoxine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Pyridoxine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023541 CH$LINK: ChemOnt CHEMONTID:0001948; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003757.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003757.txt index ad8ae1eb796..3f024640b25 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003757.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003757.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003757 -RECORD_TITLE: Pyridoxine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Pyridoxine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023541 CH$LINK: ChemOnt CHEMONTID:0001948; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003758.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003758.txt index 20c64196c73..2aee04baf7f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003758.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003758.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003758 -RECORD_TITLE: Pseudopelletierine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Pseudopelletierine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:11096 CH$LINK: INCHIKEY RHWSKVCZXBAWLZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001581; Organic compounds; Organoheterocyclic compounds; Piperidines; Piperidinones AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003759.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003759.txt index 121f428aef6..a0e8d041113 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003759.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003759.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003759 -RECORD_TITLE: Pseudopelletierine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Pseudopelletierine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:11096 CH$LINK: INCHIKEY RHWSKVCZXBAWLZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001581; Organic compounds; Organoheterocyclic compounds; Piperidines; Piperidinones AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003760.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003760.txt index 74226a147c7..4d8a8682e28 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003760.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003760.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003760 -RECORD_TITLE: Pseudopelletierine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Pseudopelletierine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:11096 CH$LINK: INCHIKEY RHWSKVCZXBAWLZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001581; Organic compounds; Organoheterocyclic compounds; Piperidines; Piperidinones AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003761.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003761.txt index 1e4b12691fa..f9c6df2cc0d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003761.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003761.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003761 -RECORD_TITLE: Pseudopelletierine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Pseudopelletierine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:11096 CH$LINK: INCHIKEY RHWSKVCZXBAWLZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001581; Organic compounds; Organoheterocyclic compounds; Piperidines; Piperidinones AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003762.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003762.txt index 47f666ae95b..4a9323979c7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003762.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003762.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003762 -RECORD_TITLE: Pseudopelletierine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Pseudopelletierine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:11096 CH$LINK: INCHIKEY RHWSKVCZXBAWLZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001581; Organic compounds; Organoheterocyclic compounds; Piperidines; Piperidinones AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003763.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003763.txt index 9c9646d2d58..50a3ca55359 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003763.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003763.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003763 -RECORD_TITLE: Propylthiouracil; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Propylthiouracil; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KNAHARQHSZJURB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021209 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003764.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003764.txt index df126b4181c..a4d3c05daa4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003764.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003764.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003764 -RECORD_TITLE: Propylthiouracil; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Propylthiouracil; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KNAHARQHSZJURB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021209 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003765.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003765.txt index 549121f970f..4078a25ad91 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003765.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003765.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003765 -RECORD_TITLE: Propylthiouracil; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Propylthiouracil; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KNAHARQHSZJURB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021209 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003766.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003766.txt index 80a384bfed4..e0d81528f28 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003766.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003766.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003766 -RECORD_TITLE: Propylthiouracil; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Propylthiouracil; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KNAHARQHSZJURB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021209 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003767.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003767.txt index 06e5e738101..2531f06a9a9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003767.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003767.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003767 -RECORD_TITLE: Propylthiouracil; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Propylthiouracil; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KNAHARQHSZJURB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021209 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003768.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003768.txt index 9dddf69c3b6..92ef7b8dd4a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003768.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003768.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003768 -RECORD_TITLE: Pralidoxime; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Pralidoxime; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:135398747 CH$LINK: INCHIKEY JBKPUQTUERUYQE-VOTSOKGWSA-N CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003769.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003769.txt index 6b689b7b512..484d5a37421 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003769.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003769.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003769 -RECORD_TITLE: Pralidoxime; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Pralidoxime; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:135398747 CH$LINK: INCHIKEY JBKPUQTUERUYQE-VOTSOKGWSA-N CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003770.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003770.txt index a53e07019b0..3033f05ff5f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003770.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003770.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003770 -RECORD_TITLE: Pralidoxime; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Pralidoxime; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:135398747 CH$LINK: INCHIKEY JBKPUQTUERUYQE-VOTSOKGWSA-N CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003771.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003771.txt index 64a9830b207..595c8a24e6f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003771.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003771.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003771 -RECORD_TITLE: Pralidoxime; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Pralidoxime; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:135398747 CH$LINK: INCHIKEY JBKPUQTUERUYQE-VOTSOKGWSA-N CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003772.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003772.txt index 05b47f0fad5..8410e202dd9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003772.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003772.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003772 -RECORD_TITLE: Pralidoxime; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Pralidoxime; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:135398747 CH$LINK: INCHIKEY JBKPUQTUERUYQE-VOTSOKGWSA-N CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003773.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003773.txt index c848a32e790..014930af5aa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003773.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003773.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003773 -RECORD_TITLE: o-Phenanthroline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: o-Phenanthroline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY DGEZNRSVGBDHLK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1025857 CH$LINK: ChemOnt CHEMONTID:0001626; Organic compounds; Organoheterocyclic compounds; Phenanthrolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003774.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003774.txt index 5655b4a3eb4..e855e2c5a50 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003774.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003774.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003774 -RECORD_TITLE: o-Phenanthroline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: o-Phenanthroline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY DGEZNRSVGBDHLK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1025857 CH$LINK: ChemOnt CHEMONTID:0001626; Organic compounds; Organoheterocyclic compounds; Phenanthrolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003775.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003775.txt index 9894ba4762e..b3fe8be2fb5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003775.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003775.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003775 -RECORD_TITLE: o-Phenanthroline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: o-Phenanthroline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY DGEZNRSVGBDHLK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1025857 CH$LINK: ChemOnt CHEMONTID:0001626; Organic compounds; Organoheterocyclic compounds; Phenanthrolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003776.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003776.txt index ccb331c3a51..6b692a3c106 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003776.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003776.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003776 -RECORD_TITLE: o-Phenanthroline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: o-Phenanthroline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY DGEZNRSVGBDHLK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1025857 CH$LINK: ChemOnt CHEMONTID:0001626; Organic compounds; Organoheterocyclic compounds; Phenanthrolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003777.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003777.txt index 7e6c7629041..23c53dde836 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003777.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003777.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003777 -RECORD_TITLE: o-Phenanthroline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: o-Phenanthroline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY DGEZNRSVGBDHLK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1025857 CH$LINK: ChemOnt CHEMONTID:0001626; Organic compounds; Organoheterocyclic compounds; Phenanthrolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003778.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003778.txt index d4c73c109d6..dbde83a6822 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003778.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003778.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003778 -RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID9023465 CH$LINK: ChemOnt CHEMONTID:0004647; Organic compounds; Benzenoids; Phenols; 1-hydroxy-4-unsubstituted benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003779.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003779.txt index 42cf43a7421..2c32914d3da 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003779.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003779.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003779 -RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID9023465 CH$LINK: ChemOnt CHEMONTID:0004647; Organic compounds; Benzenoids; Phenols; 1-hydroxy-4-unsubstituted benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003780.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003780.txt index dc9bc6d8047..cb2e148a17b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003780.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003780.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003780 -RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID9023465 CH$LINK: ChemOnt CHEMONTID:0004647; Organic compounds; Benzenoids; Phenols; 1-hydroxy-4-unsubstituted benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003781.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003781.txt index d31fa5cd0f8..31d957ea924 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003781.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003781.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003781 -RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID9023465 CH$LINK: ChemOnt CHEMONTID:0004647; Organic compounds; Benzenoids; Phenols; 1-hydroxy-4-unsubstituted benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003782.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003782.txt index f568a2da765..b1f1649bfda 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003782.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003782.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003782 -RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID9023465 CH$LINK: ChemOnt CHEMONTID:0004647; Organic compounds; Benzenoids; Phenols; 1-hydroxy-4-unsubstituted benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003783.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003783.txt index b926b74b83e..6640262ffa1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003783.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003783.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003783 -RECORD_TITLE: O-Phosphoserine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: O-Phosphoserine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY BZQFBWGGLXLEPQ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID1046348 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003784.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003784.txt index 9963b87be91..55add658d1f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003784.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003784.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003784 -RECORD_TITLE: O-Phosphoserine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: O-Phosphoserine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY BZQFBWGGLXLEPQ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID1046348 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003785.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003785.txt index 15a65211c02..1a3dcaa9ab3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003785.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003785.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003785 -RECORD_TITLE: O-Phosphoserine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: O-Phosphoserine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY BZQFBWGGLXLEPQ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID1046348 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003786.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003786.txt index 1055e7da760..5f63a6fa1a9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003786.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003786.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003786 -RECORD_TITLE: O-Phosphoserine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: O-Phosphoserine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY BZQFBWGGLXLEPQ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID1046348 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003787.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003787.txt index 52214bd37e5..a48b919e17d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003787.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003787.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003787 -RECORD_TITLE: O-Phosphoserine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: O-Phosphoserine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY BZQFBWGGLXLEPQ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID1046348 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003788.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003788.txt index 23783770ddc..1f3ee1ff58a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003788.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003788.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003788 -RECORD_TITLE: Primidone; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Primidone; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY DQMZLTXERSFNPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7023510 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003789.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003789.txt index d93d244acaf..10e056097d3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003789.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003789.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003789 -RECORD_TITLE: Primidone; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Primidone; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY DQMZLTXERSFNPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7023510 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003790.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003790.txt index 1d80e97a16a..0ab2a4f82cd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003790.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003790.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003790 -RECORD_TITLE: Primidone; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Primidone; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY DQMZLTXERSFNPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7023510 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003791.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003791.txt index 1803cf9b573..96cdccee8cd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003791.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003791.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003791 -RECORD_TITLE: Primidone; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Primidone; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY DQMZLTXERSFNPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7023510 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003792.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003792.txt index 06e8a466531..6e48e4084b3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003792.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003792.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003792 -RECORD_TITLE: Primidone; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Primidone; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY DQMZLTXERSFNPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7023510 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003793.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003793.txt index 60259b8f0fe..303ad22a3fb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003793.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003793.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003793 -RECORD_TITLE: Phenylethylamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Phenylethylamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY BHHGXPLMPWCGHP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058773 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003794.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003794.txt index 0d8488658e4..acbe119b2a6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003794.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003794.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003794 -RECORD_TITLE: Phenylethylamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Phenylethylamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY BHHGXPLMPWCGHP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058773 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003795.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003795.txt index 69f5a88b8e2..9b7639997b0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003795.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003795.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003795 -RECORD_TITLE: Phenylethylamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Phenylethylamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY BHHGXPLMPWCGHP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058773 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003796.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003796.txt index 9124a63d4ca..c2cdb44a07c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003796.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003796.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003796 -RECORD_TITLE: Phenylethylamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Phenylethylamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY BHHGXPLMPWCGHP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058773 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003797.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003797.txt index 4ea0dc8bcf1..58c26976da2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003797.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003797.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003797 -RECORD_TITLE: Phenylethylamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Phenylethylamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY BHHGXPLMPWCGHP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058773 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003798.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003798.txt index e610d2a3561..616386425fd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003798.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003798.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003798 -RECORD_TITLE: Psychosine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Psychosine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:5280458 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-PIIMIWFASA-N CH$LINK: ChemOnt CHEMONTID:0003258; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Glycosphingolipids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003799.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003799.txt index 4a8e18269c3..07149eb9ede 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003799.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003799.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003799 -RECORD_TITLE: Psychosine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Psychosine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:5280458 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-PIIMIWFASA-N CH$LINK: ChemOnt CHEMONTID:0003258; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Glycosphingolipids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003800.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003800.txt index 3fb8cd3ab69..407dc725d48 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003800.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003800.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003800 -RECORD_TITLE: Psychosine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Psychosine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:5280458 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-PIIMIWFASA-N CH$LINK: ChemOnt CHEMONTID:0003258; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Glycosphingolipids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003801.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003801.txt index 062346219ad..608a4740d17 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003801.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003801 -RECORD_TITLE: Psychosine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Psychosine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:5280458 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-PIIMIWFASA-N CH$LINK: ChemOnt CHEMONTID:0003258; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Glycosphingolipids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003802.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003802.txt index 12c6222e85b..502ce95c82e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003802.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003802 -RECORD_TITLE: Psychosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Psychosine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:5280458 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-PIIMIWFASA-N CH$LINK: ChemOnt CHEMONTID:0003258; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Glycosphingolipids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003803.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003803.txt index 27c3eb68786..8069f46cab3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003803.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003803 -RECORD_TITLE: Piroxicam; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Piroxicam; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QYSPLQLAKJAUJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021170 CH$LINK: ChemOnt CHEMONTID:0000309; Organic compounds; Organoheterocyclic compounds; Benzothiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003804.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003804.txt index 1b4381e7cb3..75b45a18573 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003804.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003804 -RECORD_TITLE: Piroxicam; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Piroxicam; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QYSPLQLAKJAUJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021170 CH$LINK: ChemOnt CHEMONTID:0000309; Organic compounds; Organoheterocyclic compounds; Benzothiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003805.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003805.txt index 8f44d6e1b21..f2583470c48 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003805.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003805 -RECORD_TITLE: Piroxicam; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Piroxicam; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QYSPLQLAKJAUJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021170 CH$LINK: ChemOnt CHEMONTID:0000309; Organic compounds; Organoheterocyclic compounds; Benzothiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003806.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003806.txt index daddaaa2598..46e070580bd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003806.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003806.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003806 -RECORD_TITLE: Piroxicam; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Piroxicam; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QYSPLQLAKJAUJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021170 CH$LINK: ChemOnt CHEMONTID:0000309; Organic compounds; Organoheterocyclic compounds; Benzothiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003807.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003807.txt index abd0345ef38..1518ba692fb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003807.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003807 -RECORD_TITLE: Piroxicam; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Piroxicam; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QYSPLQLAKJAUJT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021170 CH$LINK: ChemOnt CHEMONTID:0000309; Organic compounds; Organoheterocyclic compounds; Benzothiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003808.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003808.txt index 7f4973fc36b..8cb428e36f7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003808.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003808 -RECORD_TITLE: Protopine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Protopine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY GPTFURBXHJWNHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90156282 CH$LINK: ChemOnt CHEMONTID:0002743; Organic compounds; Alkaloids and derivatives; Protopine alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003809.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003809.txt index 8d9d0e0f50d..87dbc6f751c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003809.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003809.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003809 -RECORD_TITLE: Protopine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Protopine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY GPTFURBXHJWNHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90156282 CH$LINK: ChemOnt CHEMONTID:0002743; Organic compounds; Alkaloids and derivatives; Protopine alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003810.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003810.txt index 95dfcf826de..e0e4570ddca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003810.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003810.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003810 -RECORD_TITLE: Protopine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Protopine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY GPTFURBXHJWNHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90156282 CH$LINK: ChemOnt CHEMONTID:0002743; Organic compounds; Alkaloids and derivatives; Protopine alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003811.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003811.txt index d797a95ef5d..4510755bb2b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003811.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003811.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003811 -RECORD_TITLE: Protopine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Protopine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY GPTFURBXHJWNHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90156282 CH$LINK: ChemOnt CHEMONTID:0002743; Organic compounds; Alkaloids and derivatives; Protopine alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003812.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003812.txt index dda109b7b2e..bf0cd0f9a8e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003812.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003812.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003812 -RECORD_TITLE: Protopine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Protopine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY GPTFURBXHJWNHR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90156282 CH$LINK: ChemOnt CHEMONTID:0002743; Organic compounds; Alkaloids and derivatives; Protopine alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003813.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003813.txt index 384ddf7b0e4..5e55bea5dee 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003813.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003813.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003813 -RECORD_TITLE: Palmatine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Palmatine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QUCQEUCGKKTEBI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9048065 CH$LINK: ChemOnt CHEMONTID:0001909; Organic compounds; Alkaloids and derivatives; Protoberberine alkaloids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003814.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003814.txt index 2e52d46031b..072857fbcd7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003814.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003814.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003814 -RECORD_TITLE: Palmatine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Palmatine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QUCQEUCGKKTEBI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9048065 CH$LINK: ChemOnt CHEMONTID:0001909; Organic compounds; Alkaloids and derivatives; Protoberberine alkaloids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003815.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003815.txt index e5ce029e479..452e0f0650f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003815.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003815.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003815 -RECORD_TITLE: Palmatine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Palmatine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QUCQEUCGKKTEBI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9048065 CH$LINK: ChemOnt CHEMONTID:0001909; Organic compounds; Alkaloids and derivatives; Protoberberine alkaloids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003816.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003816.txt index 3e7ad7ef6c9..3d20ec0c8a8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003816.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003816.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003816 -RECORD_TITLE: Palmatine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Palmatine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QUCQEUCGKKTEBI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9048065 CH$LINK: ChemOnt CHEMONTID:0001909; Organic compounds; Alkaloids and derivatives; Protoberberine alkaloids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003817.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003817.txt index 728f3e2c2a2..1c72b18e261 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003817.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003817.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003817 -RECORD_TITLE: Palmatine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Palmatine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY QUCQEUCGKKTEBI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9048065 CH$LINK: ChemOnt CHEMONTID:0001909; Organic compounds; Alkaloids and derivatives; Protoberberine alkaloids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003818.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003818.txt index 8abe57a4226..49a4d9312e3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003818.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003818.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003818 -RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003819.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003819.txt index d00fadad7be..2e5af0fcde9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003819.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003819.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003819 -RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003820.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003820.txt index 6bf460921ed..45195515920 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003820.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003820.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003820 -RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003821.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003821.txt index 21181cb6220..87187ad3823 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003821.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003821.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003821 -RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003822.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003822.txt index c21bdb430f1..d1d67910d4a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003822.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003822.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003822 -RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-5-Oxoproline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID6046260 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003823.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003823.txt index 822a338f7fe..505f8432acf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003823.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003823.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003823 -RECORD_TITLE: Phosphocholine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Phosphocholine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:1014 CH$LINK: INCHIKEY YHHSONZFOIEMCP-UHFFFAOYSA-O CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003824.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003824.txt index 47a8b34c88b..a3218e9b001 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003824.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003824.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003824 -RECORD_TITLE: Phosphocholine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Phosphocholine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:1014 CH$LINK: INCHIKEY YHHSONZFOIEMCP-UHFFFAOYSA-O CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003825.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003825.txt index 9d9ede489d9..09d05b68d73 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003825.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003825.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003825 -RECORD_TITLE: Phosphocholine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Phosphocholine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:1014 CH$LINK: INCHIKEY YHHSONZFOIEMCP-UHFFFAOYSA-O CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003826.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003826.txt index 82a59b0be95..105944051c2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003826.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003826.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003826 -RECORD_TITLE: Phosphocholine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Phosphocholine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:1014 CH$LINK: INCHIKEY YHHSONZFOIEMCP-UHFFFAOYSA-O CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003827.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003827.txt index 887ad18faa2..2fde53bf78b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003827.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003827.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003827 -RECORD_TITLE: Phosphocholine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Phosphocholine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:1014 CH$LINK: INCHIKEY YHHSONZFOIEMCP-UHFFFAOYSA-O CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003828.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003828.txt index 122f305eef4..0b3ee33c015 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003828.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003828.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003828 -RECORD_TITLE: Puromycin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Puromycin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY RXWNCPJZOCPEPQ-NVWDDTSBSA-N CH$LINK: COMPTOX DTXSID8036788 CH$LINK: ChemOnt CHEMONTID:0002178; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 3'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003829.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003829.txt index 07304e5a13d..eeccb9138c0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003829.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003829.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003829 -RECORD_TITLE: Puromycin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Puromycin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY RXWNCPJZOCPEPQ-NVWDDTSBSA-N CH$LINK: COMPTOX DTXSID8036788 CH$LINK: ChemOnt CHEMONTID:0002178; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 3'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003830.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003830.txt index 592ec234300..9e38b6f40d3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003830.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003830.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003830 -RECORD_TITLE: Puromycin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Puromycin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY RXWNCPJZOCPEPQ-NVWDDTSBSA-N CH$LINK: COMPTOX DTXSID8036788 CH$LINK: ChemOnt CHEMONTID:0002178; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 3'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003831.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003831.txt index 97fd144f485..3a2ffc71fff 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003831.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003831.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003831 -RECORD_TITLE: Puromycin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Puromycin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY RXWNCPJZOCPEPQ-NVWDDTSBSA-N CH$LINK: COMPTOX DTXSID8036788 CH$LINK: ChemOnt CHEMONTID:0002178; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 3'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003832.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003832.txt index f13928fdd45..faf95a2bf30 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003832.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003832.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003832 -RECORD_TITLE: Puromycin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Puromycin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY RXWNCPJZOCPEPQ-NVWDDTSBSA-N CH$LINK: COMPTOX DTXSID8036788 CH$LINK: ChemOnt CHEMONTID:0002178; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 3'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003833.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003833.txt index 12ee7e1e0e6..9b5f2fec823 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003833.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003833.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003833 -RECORD_TITLE: 4-Pyridoxic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 4-Pyridoxic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HXACOUQIXZGNBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20861650 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003834.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003834.txt index cc91e86a65a..27b4bfe6a70 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003834.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003834.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003834 -RECORD_TITLE: 4-Pyridoxic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 4-Pyridoxic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HXACOUQIXZGNBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20861650 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003835.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003835.txt index f355df6671c..bb4ab602ae5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003835.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003835.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003835 -RECORD_TITLE: 4-Pyridoxic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 4-Pyridoxic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HXACOUQIXZGNBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20861650 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003836.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003836.txt index 7537a667d41..57fe7b7a838 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003836.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003836.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003836 -RECORD_TITLE: 4-Pyridoxic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 4-Pyridoxic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HXACOUQIXZGNBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20861650 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003837.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003837.txt index 8cbaf519fdf..4988d1f3d2e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003837.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003837.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003837 -RECORD_TITLE: 4-Pyridoxic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 4-Pyridoxic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HXACOUQIXZGNBF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20861650 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003838.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003838.txt index 5102569d820..8c437f26f7d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003838.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003838.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003838 -RECORD_TITLE: Purine riboside; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Purine riboside; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:68368 CH$LINK: INCHIKEY MRWXACSTFXYYMV-FDDDBJFASA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003839.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003839.txt index 3ed273c09c9..a1cf9f19650 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003839.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003839.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003839 -RECORD_TITLE: Purine riboside; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Purine riboside; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:68368 CH$LINK: INCHIKEY MRWXACSTFXYYMV-FDDDBJFASA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003840.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003840.txt index 09e05a7c809..a5f77ac35f3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003840.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003840.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003840 -RECORD_TITLE: Purine riboside; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Purine riboside; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:68368 CH$LINK: INCHIKEY MRWXACSTFXYYMV-FDDDBJFASA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003841.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003841.txt index aa4fee159c7..88f45ddd694 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003841.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003841.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003841 -RECORD_TITLE: Purine riboside; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Purine riboside; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:68368 CH$LINK: INCHIKEY MRWXACSTFXYYMV-FDDDBJFASA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003842.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003842.txt index cc0f133f79c..d85525daa3b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003842.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003842.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003842 -RECORD_TITLE: Purine riboside; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Purine riboside; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:68368 CH$LINK: INCHIKEY MRWXACSTFXYYMV-FDDDBJFASA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003843.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003843.txt index af5565fb16f..cf9e2dfb1d2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003843.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003843.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003843 -RECORD_TITLE: Phosphonoacetate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Phosphonoacetate; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY XUYJLQHKOGNDPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2045107 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003844.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003844.txt index 8507e62db41..addfc35694b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003844.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003844.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003844 -RECORD_TITLE: Phosphonoacetate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Phosphonoacetate; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY XUYJLQHKOGNDPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2045107 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003845.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003845.txt index 1438dc657c1..891fbc37046 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003845.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003845.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003845 -RECORD_TITLE: Phosphonoacetate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Phosphonoacetate; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY XUYJLQHKOGNDPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2045107 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003846.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003846.txt index eba00a03b67..9f60380833b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003846.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003846.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003846 -RECORD_TITLE: Phosphonoacetate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Phosphonoacetate; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY XUYJLQHKOGNDPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2045107 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003847.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003847.txt index 731f87ff009..01c2a58771a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003847.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003847.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003847 -RECORD_TITLE: Phosphonoacetate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Phosphonoacetate; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY XUYJLQHKOGNDPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2045107 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003848.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003848.txt index a2a373b7749..fb233d39388 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003848.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003848.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003848 -RECORD_TITLE: Phosphocreatine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Phosphocreatine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY DRBBFCLWYRJSJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058776 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003849.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003849.txt index 117180d1164..7bebb4eab8e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003849.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003849.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003849 -RECORD_TITLE: Phosphocreatine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Phosphocreatine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY DRBBFCLWYRJSJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058776 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003850.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003850.txt index e0b8867111f..a6994a5d666 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003850.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003850.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003850 -RECORD_TITLE: Phosphocreatine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Phosphocreatine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY DRBBFCLWYRJSJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058776 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003851.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003851.txt index 204f08cf6c0..e350b772072 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003851.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003851.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003851 -RECORD_TITLE: Phosphocreatine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Phosphocreatine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY DRBBFCLWYRJSJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058776 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003852.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003852.txt index 36f1bc614b3..0808eee188b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003852.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003852.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003852 -RECORD_TITLE: Phosphocreatine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Phosphocreatine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY DRBBFCLWYRJSJZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058776 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003853.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003853.txt index e963fb4d14d..bf6627a3b45 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003853.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003853.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003853 -RECORD_TITLE: D-5-Oxoproline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: D-5-Oxoproline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID10193432 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003854.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003854.txt index a495af6941c..fe02b888f41 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003854.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003854.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003854 -RECORD_TITLE: D-5-Oxoproline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: D-5-Oxoproline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID10193432 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003855.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003855.txt index 8000080d2cd..a26ed0c906d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003855.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003855.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003855 -RECORD_TITLE: D-5-Oxoproline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: D-5-Oxoproline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID10193432 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003856.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003856.txt index 334d5b49d11..46d607f8006 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003856.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003856.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003856 -RECORD_TITLE: D-5-Oxoproline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: D-5-Oxoproline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID10193432 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003857.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003857.txt index 62907972801..d1ec458e82b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003857.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003857.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003857 -RECORD_TITLE: D-5-Oxoproline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: D-5-Oxoproline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ODHCTXKNWHHXJC-GSVOUGTGSA-N CH$LINK: COMPTOX DTXSID10193432 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003863.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003863.txt index 733ad58a649..fc8da5e36f0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003863.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003863.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003863 -RECORD_TITLE: Pyrazole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Pyrazole; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WTKZEGDFNFYCGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2059774 CH$LINK: ChemOnt CHEMONTID:0000087; Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003864.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003864.txt index ad5cefb59e4..373129041ba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003864.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003864.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003864 -RECORD_TITLE: Pyrazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Pyrazole; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WTKZEGDFNFYCGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2059774 CH$LINK: ChemOnt CHEMONTID:0000087; Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003865.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003865.txt index 0c3dc8159ef..e83dce48eeb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003865.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003865.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003865 -RECORD_TITLE: Pyrazole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Pyrazole; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WTKZEGDFNFYCGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2059774 CH$LINK: ChemOnt CHEMONTID:0000087; Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003866.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003866.txt index a390ad75ab7..c99e16ba2e6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003866.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003866.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003866 -RECORD_TITLE: Pyrazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Pyrazole; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WTKZEGDFNFYCGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2059774 CH$LINK: ChemOnt CHEMONTID:0000087; Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003867.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003867.txt index 398c6169cea..bb395a3b9be 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003867.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003867.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003867 -RECORD_TITLE: Pyrazole; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Pyrazole; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WTKZEGDFNFYCGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2059774 CH$LINK: ChemOnt CHEMONTID:0000087; Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003868.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003868.txt index 9c7e65fcdb9..954dddb7573 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003868.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003868.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003868 -RECORD_TITLE: Pyrazinamide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Pyrazinamide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY IPEHBUMCGVEMRF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021215 CH$LINK: ChemOnt CHEMONTID:0000067; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003869.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003869.txt index 5c6cb8e759c..18bd0c9d3a0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003869.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003869.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003869 -RECORD_TITLE: Pyrazinamide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Pyrazinamide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY IPEHBUMCGVEMRF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021215 CH$LINK: ChemOnt CHEMONTID:0000067; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003870.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003870.txt index 61c5b076aed..8371ab83380 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003870.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003870.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003870 -RECORD_TITLE: Pyrazinamide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Pyrazinamide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY IPEHBUMCGVEMRF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021215 CH$LINK: ChemOnt CHEMONTID:0000067; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003871.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003871.txt index d7541f2f353..d997b652fd2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003871.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003871.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003871 -RECORD_TITLE: Pyrazinamide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Pyrazinamide; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY IPEHBUMCGVEMRF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021215 CH$LINK: ChemOnt CHEMONTID:0000067; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003872.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003872.txt index adb5e9a08d0..5f46f56b8b7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003872.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003872.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003872 -RECORD_TITLE: Pyrazinamide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Pyrazinamide; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY IPEHBUMCGVEMRF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021215 CH$LINK: ChemOnt CHEMONTID:0000067; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003873.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003873.txt index 27f65ff272c..1100930b862 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003873.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003873.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003873 -RECORD_TITLE: Picolinamide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Picolinamide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY IBBMAWULFFBRKK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4061703 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003874.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003874.txt index 0201a2f40e1..a333fabc50b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003874.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003874.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003874 -RECORD_TITLE: Picolinamide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Picolinamide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY IBBMAWULFFBRKK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4061703 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003875.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003875.txt index a81f6d9cc66..564cad3493c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003875.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003875.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003875 -RECORD_TITLE: Picolinamide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Picolinamide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY IBBMAWULFFBRKK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4061703 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003876.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003876.txt index bdcd47714ee..c38b8a5d2eb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003876.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003876.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003876 -RECORD_TITLE: Picolinamide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Picolinamide; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY IBBMAWULFFBRKK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4061703 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003877.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003877.txt index b8a3dd09eed..d4f86186e99 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003877.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003877.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003877 -RECORD_TITLE: Picolinamide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Picolinamide; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY IBBMAWULFFBRKK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4061703 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003878.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003878.txt index e47b9f7b879..0cbf6bb77c8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003878.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003878.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003878 -RECORD_TITLE: Phosphoarginine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Phosphoarginine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY CCTIOCVIZPCTGO-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID10922805 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003879.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003879.txt index ba502ca571e..4640c9d9fae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003879.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003879.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003879 -RECORD_TITLE: Phosphoarginine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Phosphoarginine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY CCTIOCVIZPCTGO-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID10922805 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003880.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003880.txt index 638b783c991..70f46fa1c8a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003880.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003880.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003880 -RECORD_TITLE: Phosphoarginine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Phosphoarginine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY CCTIOCVIZPCTGO-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID10922805 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003881.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003881.txt index 2a6bc0d02d7..2cff0aed239 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003881.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003881.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003881 -RECORD_TITLE: Phosphoarginine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Phosphoarginine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY CCTIOCVIZPCTGO-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID10922805 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003882.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003882.txt index 874539f98a4..4213549f8de 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003882.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003882.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003882 -RECORD_TITLE: Phosphoarginine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Phosphoarginine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY CCTIOCVIZPCTGO-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID10922805 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003883.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003883.txt index 30681527040..942d236f8d1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003883.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003883.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003883 -RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046825 CH$LINK: ChemOnt CHEMONTID:0001966; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003884.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003884.txt index 238f8182b9e..d2c9e961fe1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003884.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003884.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003884 -RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046825 CH$LINK: ChemOnt CHEMONTID:0001966; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003885.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003885.txt index 808664838ed..0d3cbbcc3b3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003885.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003885.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003885 -RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046825 CH$LINK: ChemOnt CHEMONTID:0001966; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003886.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003886.txt index a5f1ffdfdf0..2b5e3076762 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003886.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003886.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003886 -RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046825 CH$LINK: ChemOnt CHEMONTID:0001966; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003887.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003887.txt index 1c9b51f5ca6..a99a61bea55 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003887.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003887.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003887 -RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Pyridoxamine 5'-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY ZMJGSOSNSPKHNH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046825 CH$LINK: ChemOnt CHEMONTID:0001966; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003888.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003888.txt index 39174ef0578..816db5c48cb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003888.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003888.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003888 -RECORD_TITLE: Phosphoramidon; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Phosphoramidon; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:445114 CH$LINK: INCHIKEY ZPHBZEQOLSRPAK-XLCYBJAPSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003889.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003889.txt index 87387e2aa90..3ef15385821 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003889.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003889.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003889 -RECORD_TITLE: Phosphoramidon; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Phosphoramidon; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:445114 CH$LINK: INCHIKEY ZPHBZEQOLSRPAK-XLCYBJAPSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003890.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003890.txt index 786a79a5927..56d0e337078 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003890.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003890.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003890 -RECORD_TITLE: Phosphoramidon; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Phosphoramidon; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:445114 CH$LINK: INCHIKEY ZPHBZEQOLSRPAK-XLCYBJAPSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003891.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003891.txt index 273c66bffc6..7b011c5c83c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003891.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003891.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003891 -RECORD_TITLE: Phosphoramidon; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Phosphoramidon; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:445114 CH$LINK: INCHIKEY ZPHBZEQOLSRPAK-XLCYBJAPSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003892.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003892.txt index 5b4f786bd82..2a4647cb474 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003892.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003892.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003892 -RECORD_TITLE: Paromomycin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Paromomycin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:165580 CH$LINK: INCHIKEY UOZODPSAJZTQNH-IRIMDDDUSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003893.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003893.txt index 99551bdcd2a..3eb0f1aaeab 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003893.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003893.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003893 -RECORD_TITLE: Paromomycin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Paromomycin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:165580 CH$LINK: INCHIKEY UOZODPSAJZTQNH-IRIMDDDUSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003894.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003894.txt index 06aca782145..b3cc9280541 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003894.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003894.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003894 -RECORD_TITLE: Paromomycin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Paromomycin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:165580 CH$LINK: INCHIKEY UOZODPSAJZTQNH-IRIMDDDUSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003895.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003895.txt index eb6721af535..3be6eb6df1e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003895.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003895.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003895 -RECORD_TITLE: Paromomycin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Paromomycin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:165580 CH$LINK: INCHIKEY UOZODPSAJZTQNH-IRIMDDDUSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003896.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003896.txt index a069d72bf66..064f87edefc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003896.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003896.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003896 -RECORD_TITLE: Paromomycin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Paromomycin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:165580 CH$LINK: INCHIKEY UOZODPSAJZTQNH-IRIMDDDUSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003897.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003897.txt index b66558fb26d..50810729459 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003897.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003897.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003897 -RECORD_TITLE: Paromomycin; LC-ESI-QQ; MS2; CE:10 V; [M+2H]++ +RECORD_TITLE: Paromomycin; LC-ESI-QQQ; MS2; CE:10 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:165580 CH$LINK: INCHIKEY UOZODPSAJZTQNH-IRIMDDDUSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003898.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003898.txt index 0e836453a8e..4fa822fda42 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003898.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003898.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003898 -RECORD_TITLE: Paromomycin; LC-ESI-QQ; MS2; CE:20 V; [M+2H]++ +RECORD_TITLE: Paromomycin; LC-ESI-QQQ; MS2; CE:20 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:165580 CH$LINK: INCHIKEY UOZODPSAJZTQNH-IRIMDDDUSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003899.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003899.txt index 7e1c73ef7a2..f2df7519aa7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003899.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003899.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003899 -RECORD_TITLE: Paromomycin; LC-ESI-QQ; MS2; CE:30 V; [M+2H]++ +RECORD_TITLE: Paromomycin; LC-ESI-QQQ; MS2; CE:30 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:165580 CH$LINK: INCHIKEY UOZODPSAJZTQNH-IRIMDDDUSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003900.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003900.txt index 112aeba40b3..b0142527336 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003900.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003900.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003900 -RECORD_TITLE: Paromomycin; LC-ESI-QQ; MS2; CE:40 V; [M+2H]++ +RECORD_TITLE: Paromomycin; LC-ESI-QQQ; MS2; CE:40 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:165580 CH$LINK: INCHIKEY UOZODPSAJZTQNH-IRIMDDDUSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003901.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003901.txt index a6e8388b352..fc1ab407e87 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003901.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003901 -RECORD_TITLE: Paromomycin; LC-ESI-QQ; MS2; CE:50 V; [M+2H]++ +RECORD_TITLE: Paromomycin; LC-ESI-QQQ; MS2; CE:50 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: PUBCHEM CID:165580 CH$LINK: INCHIKEY UOZODPSAJZTQNH-IRIMDDDUSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003902.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003902.txt index a5853047b8c..e926174bbeb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003902.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003902 -RECORD_TITLE: Penciclovir; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Penciclovir; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JNTOCHDNEULJHD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9046491 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003903.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003903.txt index e7be7d3cb38..5cbc5b2d51a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003903.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003903 -RECORD_TITLE: Penciclovir; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Penciclovir; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JNTOCHDNEULJHD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9046491 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003904.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003904.txt index a2a28407962..68bc7d4186e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003904.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003904 -RECORD_TITLE: Penciclovir; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Penciclovir; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JNTOCHDNEULJHD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9046491 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003905.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003905.txt index 618785b6686..7930b07bd53 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003905.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003905 -RECORD_TITLE: Penciclovir; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Penciclovir; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JNTOCHDNEULJHD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9046491 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003906.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003906.txt index 821bc1e98c5..92ad0c28964 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003906.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003906.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003906 -RECORD_TITLE: Penciclovir; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Penciclovir; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JNTOCHDNEULJHD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9046491 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003907.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003907.txt index b81798b1486..f044fc8c004 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003907.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003907 -RECORD_TITLE: Pirimicarb; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Pirimicarb; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YFGYUFNIOHWBOB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1032569 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003908.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003908.txt index f0f918feec2..d6effe88d23 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003908.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003908 -RECORD_TITLE: Pirimicarb; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Pirimicarb; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YFGYUFNIOHWBOB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1032569 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003909.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003909.txt index 72e6c8c3da5..f9d5c8be3d9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003909.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003909 -RECORD_TITLE: Pirimicarb; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Pirimicarb; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YFGYUFNIOHWBOB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1032569 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003910.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003910.txt index caab0053afe..00d26abcdc9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003910.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003910.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003910 -RECORD_TITLE: Pirimicarb; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Pirimicarb; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YFGYUFNIOHWBOB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1032569 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003911.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003911.txt index c868eca8225..cf2844cd0be 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003911.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003911.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003911 -RECORD_TITLE: Pirimicarb; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Pirimicarb; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YFGYUFNIOHWBOB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1032569 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003912.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003912.txt index 79a1d80394d..e0ade2d724a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003912.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003912.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003912 -RECORD_TITLE: Pendimethalin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Pendimethalin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY CHIFOSRWCNZCFN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7024245 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003913.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003913.txt index 49ecd063280..8c3f6385492 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003913.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003913.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003913 -RECORD_TITLE: Pendimethalin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Pendimethalin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY CHIFOSRWCNZCFN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7024245 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003914.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003914.txt index 99204db341a..147ee8ebe11 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003914.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003914.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003914 -RECORD_TITLE: Pendimethalin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Pendimethalin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY CHIFOSRWCNZCFN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7024245 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003915.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003915.txt index 7d4c125b5ec..584301b4a45 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003915.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003915.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003915 -RECORD_TITLE: Pendimethalin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Pendimethalin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY CHIFOSRWCNZCFN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7024245 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003916.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003916.txt index ee88e7b5797..b133a09f916 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003916.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003916.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003916 -RECORD_TITLE: Pendimethalin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Pendimethalin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY CHIFOSRWCNZCFN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7024245 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003917.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003917.txt index 16217b07e0b..c2eb43c4730 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003917.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003917.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003917 -RECORD_TITLE: Procaine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Procaine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MFDFERRIHVXMIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7045021 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003918.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003918.txt index 02ca7721627..d5c7f9e70a7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003918.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003918.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003918 -RECORD_TITLE: Procaine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Procaine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MFDFERRIHVXMIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7045021 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003919.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003919.txt index 64b1f37cf48..8ab57876460 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003919.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003919.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003919 -RECORD_TITLE: Procaine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Procaine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MFDFERRIHVXMIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7045021 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003920.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003920.txt index 2073f27899c..d2c9db9d735 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003920.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003920.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003920 -RECORD_TITLE: Procaine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Procaine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MFDFERRIHVXMIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7045021 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003921.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003921.txt index 36204352368..68ef9332ead 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003921.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003921.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003921 -RECORD_TITLE: Procaine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Procaine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MFDFERRIHVXMIY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7045021 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003922.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003922.txt index bc3fdddccfa..2c427693a4e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003922.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003922.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003922 -RECORD_TITLE: Prazosin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Prazosin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IENZQIKPVFGBNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4049082 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003923.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003923.txt index 1950b51ca5e..a10b69d66d6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003923.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003923.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003923 -RECORD_TITLE: Prazosin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Prazosin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IENZQIKPVFGBNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4049082 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003924.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003924.txt index 049699d0696..a9ff9081c16 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003924.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003924.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003924 -RECORD_TITLE: Prazosin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Prazosin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IENZQIKPVFGBNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4049082 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003925.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003925.txt index b7c34334cd9..2a95c7e9cb8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003925.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003925.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003925 -RECORD_TITLE: Prazosin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Prazosin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IENZQIKPVFGBNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4049082 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003926.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003926.txt index 6b89b5c2278..0c61618793c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003926.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003926.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003926 -RECORD_TITLE: Prazosin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Prazosin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IENZQIKPVFGBNW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4049082 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003927.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003927.txt index 550c400bc9c..3df0cde6b75 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003927.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003927.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003927 -RECORD_TITLE: Propranolol; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Propranolol; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY AQHHHDLHHXJYJD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023525 CH$LINK: ChemOnt CHEMONTID:0000023; Organic compounds; Benzenoids; Naphthalenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003928.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003928.txt index 09301c7997c..54de94843ca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003928.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003928.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003928 -RECORD_TITLE: Propranolol; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Propranolol; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY AQHHHDLHHXJYJD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023525 CH$LINK: ChemOnt CHEMONTID:0000023; Organic compounds; Benzenoids; Naphthalenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003929.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003929.txt index c5cff83918f..291e0d9a4a3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003929.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003929.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003929 -RECORD_TITLE: Propranolol; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Propranolol; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY AQHHHDLHHXJYJD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023525 CH$LINK: ChemOnt CHEMONTID:0000023; Organic compounds; Benzenoids; Naphthalenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003930.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003930.txt index afbf646bd43..079aac91f2e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003930.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003930.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003930 -RECORD_TITLE: Propranolol; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Propranolol; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY AQHHHDLHHXJYJD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023525 CH$LINK: ChemOnt CHEMONTID:0000023; Organic compounds; Benzenoids; Naphthalenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003931.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003931.txt index 53c29b5f378..1b3dc44fcbd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003931.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003931.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003931 -RECORD_TITLE: Propranolol; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Propranolol; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY AQHHHDLHHXJYJD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6023525 CH$LINK: ChemOnt CHEMONTID:0000023; Organic compounds; Benzenoids; Naphthalenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003932.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003932.txt index 7b9f548b891..17572cc0bad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003932.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003932.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003932 -RECORD_TITLE: Phenoxybenzamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Phenoxybenzamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY QZVCTJOXCFMACW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023458 CH$LINK: ChemOnt CHEMONTID:0000185; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003933.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003933.txt index 1aae5c59ec8..38180bb11e2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003933.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003933.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003933 -RECORD_TITLE: Phenoxybenzamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Phenoxybenzamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY QZVCTJOXCFMACW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023458 CH$LINK: ChemOnt CHEMONTID:0000185; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003934.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003934.txt index 5d7875a3448..9ecb9434ae8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003934.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003934.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003934 -RECORD_TITLE: Phenoxybenzamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Phenoxybenzamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY QZVCTJOXCFMACW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023458 CH$LINK: ChemOnt CHEMONTID:0000185; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003935.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003935.txt index 6c0b896caef..0a4ef918a4a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003935.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003935.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003935 -RECORD_TITLE: Phenoxybenzamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Phenoxybenzamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY QZVCTJOXCFMACW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023458 CH$LINK: ChemOnt CHEMONTID:0000185; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003936.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003936.txt index 0c5b19fdc5e..3a574e524c7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003936.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003936.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003936 -RECORD_TITLE: Phenoxybenzamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Phenoxybenzamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY QZVCTJOXCFMACW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0023458 CH$LINK: ChemOnt CHEMONTID:0000185; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylmethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003937.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003937.txt index 23ab8766f18..6dfc146fefa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003937.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003937.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003937 -RECORD_TITLE: Pentamidine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Pentamidine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY XDRYMKDFEDOLFX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7023431 CH$LINK: ChemOnt CHEMONTID:0002341; Organic compounds; Benzenoids; Phenol ethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003938.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003938.txt index ce7c6bff066..0544fcc3a38 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003938.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003938.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003938 -RECORD_TITLE: Pentamidine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Pentamidine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY XDRYMKDFEDOLFX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7023431 CH$LINK: ChemOnt CHEMONTID:0002341; Organic compounds; Benzenoids; Phenol ethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003939.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003939.txt index a0a73d776ed..c0ed92c2e39 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003939.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003939.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003939 -RECORD_TITLE: Pentamidine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Pentamidine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY XDRYMKDFEDOLFX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7023431 CH$LINK: ChemOnt CHEMONTID:0002341; Organic compounds; Benzenoids; Phenol ethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003940.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003940.txt index d9360af3df8..1ff15f8aae2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003940.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003940.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003940 -RECORD_TITLE: Pentamidine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Pentamidine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY XDRYMKDFEDOLFX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7023431 CH$LINK: ChemOnt CHEMONTID:0002341; Organic compounds; Benzenoids; Phenol ethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003941.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003941.txt index 86af3f101db..8424427cbe2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003941.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003941.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003941 -RECORD_TITLE: Pentamidine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Pentamidine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY XDRYMKDFEDOLFX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7023431 CH$LINK: ChemOnt CHEMONTID:0002341; Organic compounds; Benzenoids; Phenol ethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003942.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003942.txt index b12ad9b2bbe..58c7698ab08 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003942.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003942.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003942 -RECORD_TITLE: 2(1H)-Quinolinone; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 2(1H)-Quinolinone; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LISFMEBWQUVKPJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1058769 CH$LINK: ChemOnt CHEMONTID:0000056; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003943.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003943.txt index 42d4883f0f8..0ae3b28e8db 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003943.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003943.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003943 -RECORD_TITLE: 2(1H)-Quinolinone; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 2(1H)-Quinolinone; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LISFMEBWQUVKPJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1058769 CH$LINK: ChemOnt CHEMONTID:0000056; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003944.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003944.txt index 1b3f37bdb95..332547e938b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003944.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003944.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003944 -RECORD_TITLE: 2(1H)-Quinolinone; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 2(1H)-Quinolinone; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LISFMEBWQUVKPJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1058769 CH$LINK: ChemOnt CHEMONTID:0000056; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003945.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003945.txt index caf2bc0c6e4..0f59de1dd3f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003945.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003945.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003945 -RECORD_TITLE: 2(1H)-Quinolinone; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 2(1H)-Quinolinone; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LISFMEBWQUVKPJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1058769 CH$LINK: ChemOnt CHEMONTID:0000056; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003946.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003946.txt index a0a0fa09d77..b5d89f8bf47 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003946.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003946.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003946 -RECORD_TITLE: 2(1H)-Quinolinone; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 2(1H)-Quinolinone; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LISFMEBWQUVKPJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1058769 CH$LINK: ChemOnt CHEMONTID:0000056; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinolones and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003947.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003947.txt index 4366b47e4cb..e753fe61fd7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003947.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003947.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003947 -RECORD_TITLE: Quisqualic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Quisqualic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ASNFTDCKZKHJSW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20896927 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003948.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003948.txt index f44c9bba60f..517c8cc409c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003948.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003948.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003948 -RECORD_TITLE: Quisqualic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Quisqualic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ASNFTDCKZKHJSW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20896927 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003949.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003949.txt index 8990a35a1ea..0ebefdfe6c4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003949.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003949.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003949 -RECORD_TITLE: Quisqualic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Quisqualic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ASNFTDCKZKHJSW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20896927 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003950.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003950.txt index 52aaffc3353..cb860d48f44 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003950.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003950.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003950 -RECORD_TITLE: Quisqualic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Quisqualic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ASNFTDCKZKHJSW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20896927 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003951.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003951.txt index d7bdeb2e926..3329645dd5c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003951.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003951.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003951 -RECORD_TITLE: Quisqualic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Quisqualic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY ASNFTDCKZKHJSW-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20896927 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003952.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003952.txt index f48a103134d..fc0bf85034a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003952.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003952.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003952 -RECORD_TITLE: Quinoline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Quinoline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY SMWDFEZZVXVKRB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021798 CH$LINK: ChemOnt CHEMONTID:0001253; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003953.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003953.txt index cde21aa0b9a..51a27d912d3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003953.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003953.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003953 -RECORD_TITLE: Quinoline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Quinoline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY SMWDFEZZVXVKRB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021798 CH$LINK: ChemOnt CHEMONTID:0001253; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003954.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003954.txt index 6d97b10a3d0..c3d370411f3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003954.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003954.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003954 -RECORD_TITLE: Quinoline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Quinoline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY SMWDFEZZVXVKRB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021798 CH$LINK: ChemOnt CHEMONTID:0001253; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003955.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003955.txt index c04c3358e2e..edcbc51712a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003955.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003955.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003955 -RECORD_TITLE: Quinoline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Quinoline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY SMWDFEZZVXVKRB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021798 CH$LINK: ChemOnt CHEMONTID:0001253; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003956.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003956.txt index a53d38a089c..9997d0f74da 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003956.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003956.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003956 -RECORD_TITLE: Quinoline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Quinoline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY SMWDFEZZVXVKRB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021798 CH$LINK: ChemOnt CHEMONTID:0001253; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003957.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003957.txt index c5f2ad95dad..accc784caa2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003957.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003957.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003957 -RECORD_TITLE: Ribostamycin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Ribostamycin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:33042 CH$LINK: INCHIKEY NSKGQURZWSPSBC-DLBSIDPUSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003958.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003958.txt index 9b2beb207ca..2d606db5953 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003958.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003958.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003958 -RECORD_TITLE: Ribostamycin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Ribostamycin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:33042 CH$LINK: INCHIKEY NSKGQURZWSPSBC-DLBSIDPUSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003959.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003959.txt index 527db928592..71985abe631 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003959.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003959.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003959 -RECORD_TITLE: Ribostamycin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Ribostamycin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:33042 CH$LINK: INCHIKEY NSKGQURZWSPSBC-DLBSIDPUSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003960.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003960.txt index 8b70fcffdab..3b65360c0cb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003960.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003960.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003960 -RECORD_TITLE: Ribostamycin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Ribostamycin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:33042 CH$LINK: INCHIKEY NSKGQURZWSPSBC-DLBSIDPUSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003961.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003961.txt index d219efa8b54..319d6280bd1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003961.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003961.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003961 -RECORD_TITLE: Ribostamycin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Ribostamycin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:33042 CH$LINK: INCHIKEY NSKGQURZWSPSBC-DLBSIDPUSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003962.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003962.txt index 618a70733b8..31eb73bbaaa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003962.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003962.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003962 -RECORD_TITLE: Ranitidine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Ranitidine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: PUBCHEM CID:5039 CH$LINK: INCHIKEY VMXUWOKSQNHOCA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003963.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003963.txt index 8f9f06a03e4..8bcc5801888 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003963.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003963.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003963 -RECORD_TITLE: Ranitidine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Ranitidine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: PUBCHEM CID:5039 CH$LINK: INCHIKEY VMXUWOKSQNHOCA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003964.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003964.txt index 63ced778d40..643e14f3bc1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003964.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003964.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003964 -RECORD_TITLE: Ranitidine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Ranitidine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: PUBCHEM CID:5039 CH$LINK: INCHIKEY VMXUWOKSQNHOCA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003965.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003965.txt index 2d36d7fa7e3..a2f11bc8708 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003965.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003965.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003965 -RECORD_TITLE: Ranitidine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Ranitidine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: PUBCHEM CID:5039 CH$LINK: INCHIKEY VMXUWOKSQNHOCA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003966.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003966.txt index cbfac362e45..2bc38a635be 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003966.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003966.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003966 -RECORD_TITLE: Ranitidine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Ranitidine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: PUBCHEM CID:5039 CH$LINK: INCHIKEY VMXUWOKSQNHOCA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003967.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003967.txt index 580c7914117..d1a6eb983fb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003967.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003967.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003967 -RECORD_TITLE: L-Serine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-Serine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY MTCFGRXMJLQNBG-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID60883230 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003968.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003968.txt index fb1fc7d3932..2abb8cb87ad 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003968.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003968.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003968 -RECORD_TITLE: L-Serine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-Serine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY MTCFGRXMJLQNBG-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID60883230 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003969.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003969.txt index c5f02dd7780..a2458b152dc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003969.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003969.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003969 -RECORD_TITLE: L-Serine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-Serine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY MTCFGRXMJLQNBG-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID60883230 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003970.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003970.txt index b76b2a47aa7..675ef7a04fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003970.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003970.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003970 -RECORD_TITLE: L-Serine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-Serine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY MTCFGRXMJLQNBG-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID60883230 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003971.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003971.txt index 8b3973d01b7..1cb84a4c3f8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003971.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003971.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003971 -RECORD_TITLE: L-Serine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-Serine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY MTCFGRXMJLQNBG-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID60883230 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003972.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003972.txt index 3b5681c2f4d..f607ee574cb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003972.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003972.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003972 -RECORD_TITLE: Spermidine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Spermidine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ATHGHQPFGPMSJY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4036645 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003973.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003973.txt index 3e7b455c718..2b61c2fbfa1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003973.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003973.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003973 -RECORD_TITLE: Spermidine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Spermidine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ATHGHQPFGPMSJY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4036645 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003974.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003974.txt index edfa1387df1..80b2fe1becf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003974.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003974.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003974 -RECORD_TITLE: Spermidine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Spermidine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ATHGHQPFGPMSJY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4036645 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003975.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003975.txt index 84af6dceff8..f9efa7b4e75 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003975.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003975.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003975 -RECORD_TITLE: Spermidine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Spermidine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ATHGHQPFGPMSJY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4036645 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003976.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003976.txt index af8f451a1e8..96c64434e31 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003976.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003976.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003976 -RECORD_TITLE: Spermidine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Spermidine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ATHGHQPFGPMSJY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4036645 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003977.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003977.txt index f5eb8d4b859..5eac4046879 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003977.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003977.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003977 -RECORD_TITLE: Spermine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Spermine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY PFNFFQXMRSDOHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9058781 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003978.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003978.txt index c2575ec7822..5631d0d327e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003978.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003978.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003978 -RECORD_TITLE: Spermine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Spermine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY PFNFFQXMRSDOHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9058781 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003979.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003979.txt index 36277421472..8b9f921f3bd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003979.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003979.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003979 -RECORD_TITLE: Spermine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Spermine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY PFNFFQXMRSDOHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9058781 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003980.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003980.txt index 09c6e988217..e5dc5e53c60 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003980.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003980.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003980 -RECORD_TITLE: Spermine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Spermine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY PFNFFQXMRSDOHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9058781 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003981.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003981.txt index c34f41b0c06..00e70d62436 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003981.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003981.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003981 -RECORD_TITLE: Spermine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Spermine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY PFNFFQXMRSDOHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9058781 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003982.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003982.txt index b3602a3df49..14dcc17c25a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003982.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003982.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003982 -RECORD_TITLE: Suberic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Suberic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY TYFQFVWCELRYAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021644 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003983.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003983.txt index c71e124018c..a1c9afcee30 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003983.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003983.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003983 -RECORD_TITLE: Suberic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Suberic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY TYFQFVWCELRYAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021644 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003984.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003984.txt index 8c2dfbb5ca1..1120f2cf7a3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003984.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003984.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003984 -RECORD_TITLE: Suberic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Suberic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY TYFQFVWCELRYAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021644 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003985.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003985.txt index 271fa2780a2..56647ec5cb0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003985.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003985.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003985 -RECORD_TITLE: Suberic acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Suberic acid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY TYFQFVWCELRYAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021644 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003986.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003986.txt index 128b5fea169..b51fe0ff712 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003986.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003986.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003986 -RECORD_TITLE: Suberic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Suberic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY TYFQFVWCELRYAO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021644 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003987.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003987.txt index 8df333d97cf..48c925d307b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003987.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003987.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003987 -RECORD_TITLE: Sarcosine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Sarcosine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FSYKKLYZXJSNPZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1047025 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003988.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003988.txt index aac98f51baf..2d43ae04e4d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003988.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003988.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003988 -RECORD_TITLE: Sarcosine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Sarcosine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FSYKKLYZXJSNPZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1047025 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003989.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003989.txt index b3c38546b81..62d9d256986 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003989.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003989.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003989 -RECORD_TITLE: Sarcosine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Sarcosine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FSYKKLYZXJSNPZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1047025 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003990.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003990.txt index ac813a6e8ef..0858e39056b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003990.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003990.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003990 -RECORD_TITLE: Sarcosine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Sarcosine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FSYKKLYZXJSNPZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1047025 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003991.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003991.txt index e4dc3d76eac..11b6fca48c0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003991.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003991.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003991 -RECORD_TITLE: Sarcosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Sarcosine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY FSYKKLYZXJSNPZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1047025 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003992.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003992.txt index 66c81567a14..c5b1e7c6105 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003992.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003992.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003992 -RECORD_TITLE: Sulfanilamide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Sulfanilamide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FDDDEECHVMSUSB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023622 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003993.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003993.txt index 3eac8c4a154..482fe76b859 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003993.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003993.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003993 -RECORD_TITLE: Sulfanilamide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Sulfanilamide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FDDDEECHVMSUSB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023622 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003994.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003994.txt index 9ece84d9419..12128ec0cb4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003994.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003994.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003994 -RECORD_TITLE: Sulfanilamide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Sulfanilamide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FDDDEECHVMSUSB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023622 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003995.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003995.txt index 1696e9498f5..c9fd666edf3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003995.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003995.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003995 -RECORD_TITLE: Sulfanilamide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Sulfanilamide; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FDDDEECHVMSUSB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023622 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003996.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003996.txt index 66b8832bfcb..487e6a77e65 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003996.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003996.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003996 -RECORD_TITLE: Sulfanilamide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Sulfanilamide; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FDDDEECHVMSUSB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023622 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003997.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003997.txt index eb3ee5aad56..8c3c9fe33b5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003997.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003997.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003997 -RECORD_TITLE: Streptomycin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Streptomycin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003998.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003998.txt index 73e8b20a38f..d8427a025f8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003998.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003998.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003998 -RECORD_TITLE: Streptomycin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Streptomycin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO003999.txt b/Keio_Univ/MSBNK-Keio_Univ-KO003999.txt index 3cd7e8761df..27627236421 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO003999.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO003999.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO003999 -RECORD_TITLE: Streptomycin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Streptomycin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004000.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004000.txt index 55aa6c9817c..b691bae2955 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004000.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004000.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004000 -RECORD_TITLE: Streptomycin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Streptomycin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004001.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004001.txt index 1dc9f8ee542..45cd77b55d2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004001.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004001 -RECORD_TITLE: Streptomycin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Streptomycin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004002.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004002.txt index ad4f60a7e60..59b6e4aa865 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004002.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004002 -RECORD_TITLE: Streptomycin; LC-ESI-QQ; MS2; CE:10 V; [M+2H]++ +RECORD_TITLE: Streptomycin; LC-ESI-QQQ; MS2; CE:10 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004003.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004003.txt index 3f7ae815d8d..777558c9002 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004003.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004003 -RECORD_TITLE: Streptomycin; LC-ESI-QQ; MS2; CE:20 V; [M+2H]++ +RECORD_TITLE: Streptomycin; LC-ESI-QQQ; MS2; CE:20 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004004.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004004.txt index cc0fa283f45..3f2199a3ea3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004004.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004004 -RECORD_TITLE: Streptomycin; LC-ESI-QQ; MS2; CE:30 V; [M+2H]++ +RECORD_TITLE: Streptomycin; LC-ESI-QQQ; MS2; CE:30 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004005.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004005.txt index aa5e7dad20c..52af7fd4206 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004005.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004005 -RECORD_TITLE: Streptomycin; LC-ESI-QQ; MS2; CE:40 V; [M+2H]++ +RECORD_TITLE: Streptomycin; LC-ESI-QQQ; MS2; CE:40 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004006.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004006.txt index 8d6af41bbc0..c9e3aa9f1c8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004006.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004006.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004006 -RECORD_TITLE: Streptomycin; LC-ESI-QQ; MS2; CE:50 V; [M+2H]++ +RECORD_TITLE: Streptomycin; LC-ESI-QQQ; MS2; CE:50 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UCSJYZPVAKXKNQ-HZYVHMACSA-N CH$LINK: COMPTOX DTXSID4023597 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004007.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004007.txt index b99716eb244..2719e0418ef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004007.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004007 -RECORD_TITLE: Semicarbazide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Semicarbazide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY DUIOPKIIICUYRZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7043823 CH$LINK: ChemOnt CHEMONTID:0002285; Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004008.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004008.txt index 89d34ad2938..4964161a153 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004008.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004008 -RECORD_TITLE: Semicarbazide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Semicarbazide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY DUIOPKIIICUYRZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7043823 CH$LINK: ChemOnt CHEMONTID:0002285; Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004009.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004009.txt index 7ce456d0d20..ff99d5156ae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004009.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004009 -RECORD_TITLE: Semicarbazide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Semicarbazide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY DUIOPKIIICUYRZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7043823 CH$LINK: ChemOnt CHEMONTID:0002285; Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004010.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004010.txt index 23630dedb94..ba00bcbe5af 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004010.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004010.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004010 -RECORD_TITLE: Semicarbazide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Semicarbazide; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY DUIOPKIIICUYRZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7043823 CH$LINK: ChemOnt CHEMONTID:0002285; Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004011.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004011.txt index d08e3c8ae34..79a81517016 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004011.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004011.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004011 -RECORD_TITLE: Semicarbazide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Semicarbazide; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY DUIOPKIIICUYRZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7043823 CH$LINK: ChemOnt CHEMONTID:0002285; Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004012.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004012.txt index b7ff236f017..2ac33c897f3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004012.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004012.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004012 -RECORD_TITLE: Scopolamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Scopolamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY STECJAGHUSJQJN-FWXGHANASA-N CH$LINK: COMPTOX DTXSID6023573 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004013.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004013.txt index 6dfd267bbe3..121118f8ed9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004013.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004013.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004013 -RECORD_TITLE: Scopolamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Scopolamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY STECJAGHUSJQJN-FWXGHANASA-N CH$LINK: COMPTOX DTXSID6023573 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004014.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004014.txt index 6b075e10920..a656e030ad0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004014.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004014.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004014 -RECORD_TITLE: Scopolamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Scopolamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY STECJAGHUSJQJN-FWXGHANASA-N CH$LINK: COMPTOX DTXSID6023573 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004015.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004015.txt index 539813195c5..4f15ea4fa2d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004015.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004015.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004015 -RECORD_TITLE: Scopolamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Scopolamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY STECJAGHUSJQJN-FWXGHANASA-N CH$LINK: COMPTOX DTXSID6023573 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004016.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004016.txt index d2a3331572e..659a5f7a784 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004016.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004016.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004016 -RECORD_TITLE: Scopolamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Scopolamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY STECJAGHUSJQJN-FWXGHANASA-N CH$LINK: COMPTOX DTXSID6023573 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004017.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004017.txt index f31d740f239..a02922de565 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004017.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004017.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004017 -RECORD_TITLE: Serotonin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Serotonin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY QZAYGJVTTNCVMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075330 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004018.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004018.txt index 23ff62fa25b..2186542c7e3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004018.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004018.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004018 -RECORD_TITLE: Serotonin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Serotonin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY QZAYGJVTTNCVMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075330 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004019.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004019.txt index ef41ed7473b..84a313967c1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004019.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004019.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004019 -RECORD_TITLE: Serotonin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Serotonin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY QZAYGJVTTNCVMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075330 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004020.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004020.txt index b54831e844a..3113c19110b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004020.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004020.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004020 -RECORD_TITLE: Serotonin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Serotonin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY QZAYGJVTTNCVMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075330 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004021.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004021.txt index d0dc5fd0189..a3eae8d4281 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004021.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004021.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004021 -RECORD_TITLE: Serotonin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Serotonin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY QZAYGJVTTNCVMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075330 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004022.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004022.txt index 24ba9d7b601..b8d803bb7f3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004022.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004022.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004022 -RECORD_TITLE: Sanguinarine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Sanguinarine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:5154 CH$LINK: INCHIKEY IUMDBPMWPHHBDU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001908; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Benzoquinolines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004023.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004023.txt index f163bde5dd1..84de7032954 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004023.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004023.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004023 -RECORD_TITLE: Sanguinarine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Sanguinarine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY INVGWHRKADIJHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0045204 CH$LINK: ChemOnt CHEMONTID:0002669; Organic compounds; Alkaloids and derivatives; Benzophenanthridine alkaloids; Quaternary benzophenanthridine alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004024.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004024.txt index fa8e2a48764..b0e98417133 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004024.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004024.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004024 -RECORD_TITLE: Sanguinarine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Sanguinarine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY INVGWHRKADIJHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0045204 CH$LINK: ChemOnt CHEMONTID:0002669; Organic compounds; Alkaloids and derivatives; Benzophenanthridine alkaloids; Quaternary benzophenanthridine alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004025.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004025.txt index 256c6a9116f..c5f0ac6d38b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004025.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004025.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004025 -RECORD_TITLE: Sanguinarine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Sanguinarine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY INVGWHRKADIJHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0045204 CH$LINK: ChemOnt CHEMONTID:0002669; Organic compounds; Alkaloids and derivatives; Benzophenanthridine alkaloids; Quaternary benzophenanthridine alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004026.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004026.txt index 6a052d9e02d..ca34a18018f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004026.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004026.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004026 -RECORD_TITLE: Sanguinarine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Sanguinarine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY INVGWHRKADIJHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0045204 CH$LINK: ChemOnt CHEMONTID:0002669; Organic compounds; Alkaloids and derivatives; Benzophenanthridine alkaloids; Quaternary benzophenanthridine alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004027.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004027.txt index e5e1851cfd9..ef1639f4fa7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004027.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004027.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004027 -RECORD_TITLE: Specitinomycin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Specitinomycin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY UNFWWIHTNXNPBV-WXKVUWSESA-N CH$LINK: COMPTOX DTXSID9023592 CH$LINK: ChemOnt CHEMONTID:0001313; Organic compounds; Organoheterocyclic compounds; Dioxanes; 1,4-dioxanes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004028.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004028.txt index 2c3dfecf08e..e65cae87b92 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004028.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004028.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004028 -RECORD_TITLE: Specitinomycin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Specitinomycin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY UNFWWIHTNXNPBV-WXKVUWSESA-N CH$LINK: COMPTOX DTXSID9023592 CH$LINK: ChemOnt CHEMONTID:0001313; Organic compounds; Organoheterocyclic compounds; Dioxanes; 1,4-dioxanes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004029.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004029.txt index 274794156aa..d317c698900 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004029.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004029.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004029 -RECORD_TITLE: Specitinomycin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Specitinomycin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY UNFWWIHTNXNPBV-WXKVUWSESA-N CH$LINK: COMPTOX DTXSID9023592 CH$LINK: ChemOnt CHEMONTID:0001313; Organic compounds; Organoheterocyclic compounds; Dioxanes; 1,4-dioxanes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004030.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004030.txt index b3210014110..ba9fdb6c924 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004030.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004030.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004030 -RECORD_TITLE: Specitinomycin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Specitinomycin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY UNFWWIHTNXNPBV-WXKVUWSESA-N CH$LINK: COMPTOX DTXSID9023592 CH$LINK: ChemOnt CHEMONTID:0001313; Organic compounds; Organoheterocyclic compounds; Dioxanes; 1,4-dioxanes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004031.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004031.txt index 36cb554df49..272bf753978 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004031.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004031.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004031 -RECORD_TITLE: Specitinomycin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Specitinomycin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY UNFWWIHTNXNPBV-WXKVUWSESA-N CH$LINK: COMPTOX DTXSID9023592 CH$LINK: ChemOnt CHEMONTID:0001313; Organic compounds; Organoheterocyclic compounds; Dioxanes; 1,4-dioxanes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004032.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004032.txt index 4241193ffef..721c48e46fb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004032.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004032.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004032 -RECORD_TITLE: Sisomicin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Sisomicin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004033.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004033.txt index 1d2c450684b..d5158992eac 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004033.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004033.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004033 -RECORD_TITLE: Sisomicin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Sisomicin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004034.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004034.txt index f3b51c13b77..d729c06aa67 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004034.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004034.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004034 -RECORD_TITLE: Sisomicin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Sisomicin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004035.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004035.txt index f100ece9501..43bc041451e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004035.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004035.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004035 -RECORD_TITLE: Sisomicin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Sisomicin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004036.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004036.txt index 64549b91b5c..72747007ea1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004036.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004036.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004036 -RECORD_TITLE: Sisomicin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Sisomicin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004037.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004037.txt index 67122b1ca01..216a31a4a37 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004037.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004037.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004037 -RECORD_TITLE: Sisomicin; LC-ESI-QQ; MS2; CE:10 V; [M+2H]++ +RECORD_TITLE: Sisomicin; LC-ESI-QQQ; MS2; CE:10 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004038.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004038.txt index 437080999ea..4000b3bccb0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004038.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004038.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004038 -RECORD_TITLE: Sisomicin; LC-ESI-QQ; MS2; CE:20 V; [M+2H]++ +RECORD_TITLE: Sisomicin; LC-ESI-QQQ; MS2; CE:20 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004039.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004039.txt index ee3b7c70bb0..a99472be989 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004039.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004039.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004039 -RECORD_TITLE: Sisomicin; LC-ESI-QQ; MS2; CE:30 V; [M+2H]++ +RECORD_TITLE: Sisomicin; LC-ESI-QQQ; MS2; CE:30 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004040.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004040.txt index 0a2ede3ae74..f657c4a4c51 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004040.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004040.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004040 -RECORD_TITLE: Sisomicin; LC-ESI-QQ; MS2; CE:40 V; [M+2H]++ +RECORD_TITLE: Sisomicin; LC-ESI-QQQ; MS2; CE:40 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004041.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004041.txt index 7bb6fe7453e..e633603cae8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004041.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004041.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004041 -RECORD_TITLE: Sisomicin; LC-ESI-QQ; MS2; CE:50 V; [M+2H]++ +RECORD_TITLE: Sisomicin; LC-ESI-QQQ; MS2; CE:50 V; [M+2H]++ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:36119 CH$LINK: INCHIKEY URWAJWIAIPFPJE-YFMIWBNJSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004042.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004042.txt index 981894d31a8..a633ba30f9a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004042.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004042.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004042 -RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004043.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004043.txt index 71a0a7f3520..53fea22993d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004043.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004043.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004043 -RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004044.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004044.txt index 4636f1858d1..1b934a5a746 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004044.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004044.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004044 -RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004045.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004045.txt index 59e795f47cb..8af2c5af15b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004045.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004045.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004045 -RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004046.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004046.txt index f27e96f65cc..0965e652eb1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004046.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004046.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004046 -RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004047.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004047.txt index b90c016f93b..6bf20f30bce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004047.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004047.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004047 -RECORD_TITLE: Sulindac; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Sulindac; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N CH$LINK: COMPTOX DTXSID4023624 CH$LINK: ChemOnt CHEMONTID:0000021; Organic compounds; Benzenoids; Indenes and isoindenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004048.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004048.txt index 9681e268bbe..b62925e9ece 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004048.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004048.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004048 -RECORD_TITLE: Sulindac; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Sulindac; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N CH$LINK: COMPTOX DTXSID4023624 CH$LINK: ChemOnt CHEMONTID:0000021; Organic compounds; Benzenoids; Indenes and isoindenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004049.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004049.txt index 939015d8217..164c89021b5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004049.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004049.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004049 -RECORD_TITLE: Sulindac; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Sulindac; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N CH$LINK: COMPTOX DTXSID4023624 CH$LINK: ChemOnt CHEMONTID:0000021; Organic compounds; Benzenoids; Indenes and isoindenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004050.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004050.txt index 7b1ecc8c70f..d11ea4e6f6f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004050.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004050.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004050 -RECORD_TITLE: Sulindac; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Sulindac; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N CH$LINK: COMPTOX DTXSID4023624 CH$LINK: ChemOnt CHEMONTID:0000021; Organic compounds; Benzenoids; Indenes and isoindenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004051.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004051.txt index ad8b297278e..44ff9f14b17 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004051.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004051.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004051 -RECORD_TITLE: Sulindac; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Sulindac; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N CH$LINK: COMPTOX DTXSID4023624 CH$LINK: ChemOnt CHEMONTID:0000021; Organic compounds; Benzenoids; Indenes and isoindenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004052.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004052.txt index a0af9792c63..b51c9cc3dbe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004052.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004052.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004052 -RECORD_TITLE: Synephrine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Synephrine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YRCWQPVGYLYSOX-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID70904723 CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004053.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004053.txt index b68d7638fd6..c1a73305cb4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004053.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004053.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004053 -RECORD_TITLE: Synephrine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Synephrine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YRCWQPVGYLYSOX-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID70904723 CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004054.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004054.txt index ddcc0f9a1eb..1150af76186 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004054.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004054.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004054 -RECORD_TITLE: Synephrine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Synephrine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YRCWQPVGYLYSOX-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID70904723 CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004055.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004055.txt index 6e7d36d454a..1665b001c1f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004055.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004055.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004055 -RECORD_TITLE: Synephrine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Synephrine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YRCWQPVGYLYSOX-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID70904723 CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004056.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004056.txt index 06a71469147..e910489a7e0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004056.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004056.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004056 -RECORD_TITLE: Synephrine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Synephrine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YRCWQPVGYLYSOX-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID70904723 CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004057.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004057.txt index f719143fb83..2fbb059e4fe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004057.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004057.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004057 -RECORD_TITLE: Sulfathiazole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Sulfathiazole; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JNMRHUJNCSQMMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026068 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004058.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004058.txt index 34c12a3ce62..433726a14fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004058.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004058.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004058 -RECORD_TITLE: Sulfathiazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Sulfathiazole; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JNMRHUJNCSQMMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026068 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004059.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004059.txt index 2e8e1ba3517..396aa3b80d6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004059.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004059.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004059 -RECORD_TITLE: Sulfathiazole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Sulfathiazole; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JNMRHUJNCSQMMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026068 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004060.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004060.txt index 2c50bf5c064..5635c0c6449 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004060.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004060.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004060 -RECORD_TITLE: Sulfathiazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Sulfathiazole; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JNMRHUJNCSQMMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026068 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004061.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004061.txt index 69ff6c1533b..08ba1dc4b32 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004061.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004061.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004061 -RECORD_TITLE: Sulfathiazole; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Sulfathiazole; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JNMRHUJNCSQMMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8026068 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004062.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004062.txt index 97c758c40ee..8755c6890e0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004062.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004062.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004062 -RECORD_TITLE: Succinylcholine; LC-ESI-QQ; MS2; CE:10 V; M++ +RECORD_TITLE: Succinylcholine; LC-ESI-QQQ; MS2; CE:10 V; M++ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY AXOIZCJOOAYSMI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7048455 CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004063.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004063.txt index d8db0e50bac..ea1a8aa449a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004063.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004063.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004063 -RECORD_TITLE: Succinylcholine; LC-ESI-QQ; MS2; CE:20 V; M++ +RECORD_TITLE: Succinylcholine; LC-ESI-QQQ; MS2; CE:20 V; M++ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY AXOIZCJOOAYSMI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7048455 CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004064.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004064.txt index 2fbb1005e32..b8d2361b990 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004064.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004064.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004064 -RECORD_TITLE: Succinylcholine; LC-ESI-QQ; MS2; CE:30 V; M++ +RECORD_TITLE: Succinylcholine; LC-ESI-QQQ; MS2; CE:30 V; M++ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY AXOIZCJOOAYSMI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7048455 CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004065.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004065.txt index db2dd8151a1..f1257b793bc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004065.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004065.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004065 -RECORD_TITLE: Succinylcholine; LC-ESI-QQ; MS2; CE:40 V; M++ +RECORD_TITLE: Succinylcholine; LC-ESI-QQQ; MS2; CE:40 V; M++ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY AXOIZCJOOAYSMI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7048455 CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004066.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004066.txt index 168a0192778..b81e378c2f7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004066.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004066.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004066 -RECORD_TITLE: Succinylcholine; LC-ESI-QQ; MS2; CE:50 V; M++ +RECORD_TITLE: Succinylcholine; LC-ESI-QQQ; MS2; CE:50 V; M++ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY AXOIZCJOOAYSMI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7048455 CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004067.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004067.txt index d19f492fb70..9326d91fd8c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004067.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004067.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004067 -RECORD_TITLE: L-Tyrosine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-Tyrosine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID1023730 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004068.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004068.txt index 374c265ee03..6f52beb38d0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004068.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004068.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004068 -RECORD_TITLE: L-Tyrosine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-Tyrosine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID1023730 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004069.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004069.txt index 42c112fcb61..66fd2458daf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004069.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004069.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004069 -RECORD_TITLE: L-Tyrosine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-Tyrosine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID1023730 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004070.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004070.txt index f961223c5b6..41bd670fd8f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004070.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004070.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004070 -RECORD_TITLE: L-Tyrosine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-Tyrosine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID1023730 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004071.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004071.txt index a3bba6f670b..bfce7fb014a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004071.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004071.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004071 -RECORD_TITLE: L-Tyrosine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-Tyrosine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID1023730 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004072.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004072.txt index dd430911d49..65af16e8b3d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004072.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004072.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004072 -RECORD_TITLE: L-Tryptophan; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-Tryptophan; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY QIVBCDIJIAJPQS-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5021419 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004073.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004073.txt index 7c5621c61a7..c2d4f1caa92 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004073.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004073.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004073 -RECORD_TITLE: L-Tryptophan; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-Tryptophan; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY QIVBCDIJIAJPQS-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5021419 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004074.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004074.txt index 273b09f99e3..627a2d298c8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004074.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004074.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004074 -RECORD_TITLE: L-Tryptophan; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-Tryptophan; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY QIVBCDIJIAJPQS-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5021419 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004075.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004075.txt index 99499d51b12..e2d9637f4fe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004075.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004075.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004075 -RECORD_TITLE: L-Tryptophan; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-Tryptophan; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY QIVBCDIJIAJPQS-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5021419 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004076.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004076.txt index 0c81db1b646..d848d26945c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004076.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004076.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004076 -RECORD_TITLE: L-Tryptophan; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-Tryptophan; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY QIVBCDIJIAJPQS-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5021419 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004077.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004077.txt index bb4f8c9ad76..7e4da03fac9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004077.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004077.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004077 -RECORD_TITLE: Taurine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Taurine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY XOAAWQZATWQOTB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021304 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004078.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004078.txt index ca3bb8a54ea..37267f9badd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004078.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004078.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004078 -RECORD_TITLE: Taurine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Taurine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY XOAAWQZATWQOTB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021304 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004079.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004079.txt index 3959efa094d..6cb5c70d258 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004079.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004079.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004079 -RECORD_TITLE: Taurine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Taurine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY XOAAWQZATWQOTB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021304 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004080.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004080.txt index 7c3cf182f6c..6a324feecb2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004080.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004080.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004080 -RECORD_TITLE: Taurine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Taurine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY XOAAWQZATWQOTB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021304 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004081.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004081.txt index 33ad2dec0bd..47367580dba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004081.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004081.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004081 -RECORD_TITLE: Taurine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Taurine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY XOAAWQZATWQOTB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021304 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004082.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004082.txt index cb4094744fe..6bab3d02584 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004082.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004082.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004082 -RECORD_TITLE: Tyramine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Tyramine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2043874 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004083.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004083.txt index c4643676e32..d402fcb6ea0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004083.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004083.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004083 -RECORD_TITLE: Tyramine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Tyramine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2043874 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004084.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004084.txt index c8f0d4a1eef..c34ac5862b6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004084.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004084.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004084 -RECORD_TITLE: Tyramine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Tyramine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2043874 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004085.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004085.txt index be00907fedc..cd3cc9f0586 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004085.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004085.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004085 -RECORD_TITLE: Tyramine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Tyramine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2043874 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004086.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004086.txt index 9a7f4d6f0ef..3bb9cc779b0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004086.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004086.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004086 -RECORD_TITLE: Tyramine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Tyramine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2043874 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004087.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004087.txt index bdca508edd4..33c88d6deef 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004087.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004087.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004087 -RECORD_TITLE: L-Threonine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-Threonine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AYFVYJQAPQTCCC-GBXIJSLDSA-N CH$LINK: COMPTOX DTXSID2046412 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004088.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004088.txt index 3df0084aa1b..d1a9b8ee7e9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004088.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004088.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004088 -RECORD_TITLE: L-Threonine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-Threonine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AYFVYJQAPQTCCC-GBXIJSLDSA-N CH$LINK: COMPTOX DTXSID2046412 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004089.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004089.txt index d420fd13b98..1187b828b21 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004089.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004089.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004089 -RECORD_TITLE: L-Threonine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-Threonine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AYFVYJQAPQTCCC-GBXIJSLDSA-N CH$LINK: COMPTOX DTXSID2046412 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004090.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004090.txt index 6aaeee85625..50518576af7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004090.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004090.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004090 -RECORD_TITLE: L-Threonine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-Threonine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AYFVYJQAPQTCCC-GBXIJSLDSA-N CH$LINK: COMPTOX DTXSID2046412 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004091.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004091.txt index 334c80ac6a6..c4c83ff0cc3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004091.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004091.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004091 -RECORD_TITLE: L-Threonine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-Threonine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AYFVYJQAPQTCCC-GBXIJSLDSA-N CH$LINK: COMPTOX DTXSID2046412 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004092.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004092.txt index a9a5f4da952..1224ad6b5ce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004092.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004092.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004092 -RECORD_TITLE: Thymidine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Thymidine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IQFYYKKMVGJFEH-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID5023661 CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004093.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004093.txt index 734ee1b8c07..b2601df9fa6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004093.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004093.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004093 -RECORD_TITLE: Thymidine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Thymidine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IQFYYKKMVGJFEH-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID5023661 CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004094.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004094.txt index fd02b65e082..ad3b67b5477 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004094.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004094.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004094 -RECORD_TITLE: Thymidine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Thymidine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IQFYYKKMVGJFEH-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID5023661 CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004095.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004095.txt index 7242e2a1b34..92a322c3a43 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004095.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004095.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004095 -RECORD_TITLE: Thymidine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Thymidine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IQFYYKKMVGJFEH-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID5023661 CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004096.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004096.txt index c197f8b5a75..35aefeb3c8a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004096.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004096.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004096 -RECORD_TITLE: Thymidine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Thymidine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IQFYYKKMVGJFEH-XLPZGREQSA-N CH$LINK: COMPTOX DTXSID5023661 CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004097.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004097.txt index 046b2d276c2..66fc10dcfcc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004097.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004097.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004097 -RECORD_TITLE: Thymine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Thymine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RWQNBRDOKXIBIV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4052342 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004098.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004098.txt index e484d0dcbb8..0cff4d980a0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004098.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004098.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004098 -RECORD_TITLE: Thymine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Thymine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RWQNBRDOKXIBIV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4052342 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004099.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004099.txt index 3b02d72644e..c04eee0f175 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004099.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004099.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004099 -RECORD_TITLE: Thymine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Thymine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RWQNBRDOKXIBIV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4052342 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004100.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004100.txt index 9c474369ba6..2c8e0ea101f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004100.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004100.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004100 -RECORD_TITLE: Thymine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Thymine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RWQNBRDOKXIBIV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4052342 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004101.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004101.txt index 7f027ed973f..8bc512a1ea7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004101.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004101 -RECORD_TITLE: Thymine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Thymine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY RWQNBRDOKXIBIV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4052342 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004102.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004102.txt index 0ab4b4757e0..a79e4edc892 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004102.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004102 -RECORD_TITLE: allo-Threonine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: allo-Threonine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AYFVYJQAPQTCCC-HRFVKAFMSA-N CH$LINK: COMPTOX DTXSID10183151 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004103.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004103.txt index d37abe44e7b..8771b7ba52a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004103.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004103 -RECORD_TITLE: allo-Threonine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: allo-Threonine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AYFVYJQAPQTCCC-HRFVKAFMSA-N CH$LINK: COMPTOX DTXSID10183151 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004104.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004104.txt index a0c8a1e5bf9..5cb0fdfd91c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004104.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004104 -RECORD_TITLE: allo-Threonine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: allo-Threonine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AYFVYJQAPQTCCC-HRFVKAFMSA-N CH$LINK: COMPTOX DTXSID10183151 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004105.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004105.txt index 640c3456bb2..97d20c94a9d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004105.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004105 -RECORD_TITLE: allo-Threonine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: allo-Threonine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AYFVYJQAPQTCCC-HRFVKAFMSA-N CH$LINK: COMPTOX DTXSID10183151 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004106.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004106.txt index 886eda6c4ea..a9fa7536411 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004106.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004106 -RECORD_TITLE: allo-Threonine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: allo-Threonine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY AYFVYJQAPQTCCC-HRFVKAFMSA-N CH$LINK: COMPTOX DTXSID10183151 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004107.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004107.txt index d998f87eed3..ba2a78e5e73 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004107.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004107 -RECORD_TITLE: Trientine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Trientine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY VILCJCGEZXAXTO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9023702 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004108.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004108.txt index 08b8728f714..680151c2dc9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004108.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004108 -RECORD_TITLE: Trientine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Trientine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY VILCJCGEZXAXTO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9023702 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004109.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004109.txt index 66f6430c119..297e21757f7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004109.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004109 -RECORD_TITLE: Trientine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Trientine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY VILCJCGEZXAXTO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9023702 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004110.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004110.txt index 6e16804c02f..2776ce1c970 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004110.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004110.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004110 -RECORD_TITLE: Trientine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Trientine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY VILCJCGEZXAXTO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9023702 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004111.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004111.txt index 98bce631a60..e21b4a60bc7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004111.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004111.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004111 -RECORD_TITLE: Trientine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Trientine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY VILCJCGEZXAXTO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9023702 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004112.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004112.txt index 3ab7954a335..8cc0c72f173 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004112.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004112.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004112 -RECORD_TITLE: Triethanolamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Triethanolamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GSEJCLTVZPLZKY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021392 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004113.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004113.txt index 0d36bca52a2..a5594ece895 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004113.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004113.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004113 -RECORD_TITLE: Triethanolamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Triethanolamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GSEJCLTVZPLZKY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021392 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004114.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004114.txt index 47588c6cd2d..372f2a6c9f7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004114.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004114.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004114 -RECORD_TITLE: Triethanolamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Triethanolamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GSEJCLTVZPLZKY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021392 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004115.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004115.txt index f1aefdc0411..3e4cad55b84 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004115.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004115.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004115 -RECORD_TITLE: Triethanolamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Triethanolamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GSEJCLTVZPLZKY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021392 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004116.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004116.txt index 434f13212ee..78bc28d9d39 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004116.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004116.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004116 -RECORD_TITLE: Triethanolamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Triethanolamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY GSEJCLTVZPLZKY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9021392 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004117.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004117.txt index 0b9bb1ae6ed..68ebe6bc037 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004117.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004117.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004117 -RECORD_TITLE: Tropine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Tropine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:8424 CH$LINK: INCHIKEY CYHOMWAPJJPNMW-RNLVFQAGSA-N CH$LINK: ChemOnt CHEMONTID:0000492; Organic compounds; Alkaloids and derivatives; Tropane alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004118.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004118.txt index 03aa201cb19..497855535aa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004118.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004118.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004118 -RECORD_TITLE: Tropine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Tropine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:8424 CH$LINK: INCHIKEY CYHOMWAPJJPNMW-RNLVFQAGSA-N CH$LINK: ChemOnt CHEMONTID:0000492; Organic compounds; Alkaloids and derivatives; Tropane alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004119.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004119.txt index 1e7965a6cfe..53b6eb2614d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004119.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004119.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004119 -RECORD_TITLE: Tropine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Tropine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:8424 CH$LINK: INCHIKEY CYHOMWAPJJPNMW-RNLVFQAGSA-N CH$LINK: ChemOnt CHEMONTID:0000492; Organic compounds; Alkaloids and derivatives; Tropane alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004120.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004120.txt index 3ec1b3884f5..971c2a6617d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004120.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004120.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004120 -RECORD_TITLE: Tropine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Tropine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:8424 CH$LINK: INCHIKEY CYHOMWAPJJPNMW-RNLVFQAGSA-N CH$LINK: ChemOnt CHEMONTID:0000492; Organic compounds; Alkaloids and derivatives; Tropane alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004121.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004121.txt index c71501f0a0a..057a542a4cc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004121.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004121.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004121 -RECORD_TITLE: Tropine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Tropine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:8424 CH$LINK: INCHIKEY CYHOMWAPJJPNMW-RNLVFQAGSA-N CH$LINK: ChemOnt CHEMONTID:0000492; Organic compounds; Alkaloids and derivatives; Tropane alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004122.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004122.txt index 8820306540c..d484934d6f1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004122.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004122.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004122 -RECORD_TITLE: Theobromine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Theobromine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YAPQBXQYLJRXSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9026132 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004123.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004123.txt index 36c65a46191..8d44b1166ce 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004123.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004123.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004123 -RECORD_TITLE: Theobromine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Theobromine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YAPQBXQYLJRXSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9026132 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004124.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004124.txt index ff9c9e86fee..426f2ff7253 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004124.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004124.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004124 -RECORD_TITLE: Theobromine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Theobromine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YAPQBXQYLJRXSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9026132 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004125.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004125.txt index 76612f59cd7..ca9631ee4d2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004125.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004125.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004125 -RECORD_TITLE: Theobromine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Theobromine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YAPQBXQYLJRXSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9026132 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004126.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004126.txt index dabc1a6c81f..e5d96774cfb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004126.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004126.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004126 -RECORD_TITLE: Theobromine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Theobromine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY YAPQBXQYLJRXSA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9026132 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004127.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004127.txt index fac25387b0a..0ad09e73fb4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004127.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004127.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004127 -RECORD_TITLE: Thiabendazole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Thiabendazole; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY WJCNZQLZVWNLKY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0021337 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004128.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004128.txt index 8af8bf26023..bf929a2fe7d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004128.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004128.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004128 -RECORD_TITLE: Thiabendazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Thiabendazole; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY WJCNZQLZVWNLKY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0021337 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004129.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004129.txt index b47325e4857..e6684c8b059 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004129.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004129.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004129 -RECORD_TITLE: Thiabendazole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Thiabendazole; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY WJCNZQLZVWNLKY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0021337 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004130.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004130.txt index 966ebd653a4..8e49e17978b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004130.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004130.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004130 -RECORD_TITLE: Thiabendazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Thiabendazole; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY WJCNZQLZVWNLKY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0021337 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004131.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004131.txt index a7a35c1816f..0cf7c77c949 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004131.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004131.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004131 -RECORD_TITLE: Thiabendazole; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Thiabendazole; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY WJCNZQLZVWNLKY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0021337 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004132.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004132.txt index b0ca2ce45f9..be4778ed3bc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004132.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004132.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004132 -RECORD_TITLE: Theophylline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Theophylline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004133.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004133.txt index e5da5d3dae8..6757803a5f4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004133.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004133.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004133 -RECORD_TITLE: Theophylline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Theophylline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004134.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004134.txt index 686b0f4e700..f7e2111b7ba 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004134.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004134.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004134 -RECORD_TITLE: Theophylline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Theophylline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004135.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004135.txt index 1a53f72a071..813c2d07f98 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004135.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004135.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004135 -RECORD_TITLE: Theophylline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Theophylline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004136.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004136.txt index 5291d9ccb8d..fac80e73319 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004136.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004136.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004136 -RECORD_TITLE: Theophylline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Theophylline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5021336 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004137.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004137.txt index 5c2a1df55ed..33f4838f066 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004137.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004137.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004137 -RECORD_TITLE: Tolazoline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Tolazoline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY JIVZKJJQOZQXQB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023683 CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004138.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004138.txt index ff9b8c0b2b1..b7574891ea0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004138.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004138.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004138 -RECORD_TITLE: Tolazoline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Tolazoline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY JIVZKJJQOZQXQB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023683 CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004139.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004139.txt index 9d1eb2ed24f..67d2118a5d3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004139.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004139.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004139 -RECORD_TITLE: Tolazoline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Tolazoline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY JIVZKJJQOZQXQB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023683 CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004140.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004140.txt index 0d05b0417d0..f0667fcab93 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004140.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004140.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004140 -RECORD_TITLE: Tolazoline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Tolazoline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY JIVZKJJQOZQXQB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023683 CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004141.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004141.txt index 64571955e88..9eaa9f28658 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004141.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004141.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004141 -RECORD_TITLE: Tolazoline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Tolazoline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY JIVZKJJQOZQXQB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023683 CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004142.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004142.txt index 72557678241..37ea2ca1e94 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004142.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004142.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004142 -RECORD_TITLE: Tryptamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Tryptamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY APJYDQYYACXCRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075340 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004143.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004143.txt index 616c8d07480..c26ee2995c5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004143.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004143.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004143 -RECORD_TITLE: Tryptamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Tryptamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY APJYDQYYACXCRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075340 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004144.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004144.txt index 6e981986500..a91e7b44bf4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004144.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004144.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004144 -RECORD_TITLE: Tryptamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Tryptamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY APJYDQYYACXCRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075340 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004145.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004145.txt index 51cbd22d3fa..6abde355e9d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004145.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004145.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004145 -RECORD_TITLE: Tryptamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Tryptamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY APJYDQYYACXCRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075340 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004146.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004146.txt index adf1b223533..79c5c8e94bc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004146.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004146.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004146 -RECORD_TITLE: Tryptamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Tryptamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY APJYDQYYACXCRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075340 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004147.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004147.txt index a433ac97d5b..672b1e28bd8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004147.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004147.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004147 -RECORD_TITLE: Tyrosine methyl ester; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Tyrosine methyl ester; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY MWZPENIJLUWBSY-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID40148354 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004148.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004148.txt index 056c38f848b..15a12e769ca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004148.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004148.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004148 -RECORD_TITLE: Tyrosine methyl ester; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Tyrosine methyl ester; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY MWZPENIJLUWBSY-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID40148354 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004149.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004149.txt index 1339b79b03a..da0f78d20b5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004149.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004149.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004149 -RECORD_TITLE: Tyrosine methyl ester; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Tyrosine methyl ester; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY MWZPENIJLUWBSY-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID40148354 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004150.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004150.txt index b68d4052f5b..4cb8a34d388 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004150.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004150.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004150 -RECORD_TITLE: Tyrosine methyl ester; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Tyrosine methyl ester; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY MWZPENIJLUWBSY-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID40148354 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004151.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004151.txt index c83d4791120..57385b38a00 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004151.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004151.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004151 -RECORD_TITLE: Tyrosine methyl ester; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Tyrosine methyl ester; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY MWZPENIJLUWBSY-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID40148354 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004152.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004152.txt index f5364e7bf5a..4b82cb8eda8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004152.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004152.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004152 -RECORD_TITLE: Trimethoprim; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Trimethoprim; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IEDVJHCEMCRBQM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023712 CH$LINK: ChemOnt CHEMONTID:0000138; Organic compounds; Benzenoids; Phenol ethers; Anisoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004153.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004153.txt index 5640f7cf4c3..b29305a65df 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004153.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004153.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004153 -RECORD_TITLE: Trimethoprim; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Trimethoprim; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IEDVJHCEMCRBQM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023712 CH$LINK: ChemOnt CHEMONTID:0000138; Organic compounds; Benzenoids; Phenol ethers; Anisoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004154.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004154.txt index 45b1f9a9168..7a102c7c984 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004154.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004154.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004154 -RECORD_TITLE: Trimethoprim; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Trimethoprim; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IEDVJHCEMCRBQM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023712 CH$LINK: ChemOnt CHEMONTID:0000138; Organic compounds; Benzenoids; Phenol ethers; Anisoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004155.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004155.txt index b1f534670ad..9b4f2520efc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004155.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004155.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004155 -RECORD_TITLE: Trimethoprim; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Trimethoprim; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IEDVJHCEMCRBQM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023712 CH$LINK: ChemOnt CHEMONTID:0000138; Organic compounds; Benzenoids; Phenol ethers; Anisoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004156.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004156.txt index 0f662a37446..51b35b70c53 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004156.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004156.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004156 -RECORD_TITLE: Trimethoprim; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Trimethoprim; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IEDVJHCEMCRBQM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023712 CH$LINK: ChemOnt CHEMONTID:0000138; Organic compounds; Benzenoids; Phenol ethers; Anisoles AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004157.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004157.txt index 00fa8fa58db..9079703e91f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004157.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004157.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004157 -RECORD_TITLE: 3,3',5-Triiodothyronine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 3,3',5-Triiodothyronine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY AUYYCJSJGJYCDS-LBPRGKRZSA-N CH$LINK: COMPTOX DTXSID8023216 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004158.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004158.txt index a27aa15bb6d..e03ba1d623b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004158.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004158.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004158 -RECORD_TITLE: 3,3',5-Triiodothyronine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 3,3',5-Triiodothyronine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY AUYYCJSJGJYCDS-LBPRGKRZSA-N CH$LINK: COMPTOX DTXSID8023216 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004159.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004159.txt index 94c9fa4461a..a7aa436d078 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004159.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004159.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004159 -RECORD_TITLE: 3,3',5-Triiodothyronine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: 3,3',5-Triiodothyronine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY AUYYCJSJGJYCDS-LBPRGKRZSA-N CH$LINK: COMPTOX DTXSID8023216 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004160.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004160.txt index 23f80412737..40313ef38d9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004160.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004160.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004160 -RECORD_TITLE: 3,3',5-Triiodothyronine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 3,3',5-Triiodothyronine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY AUYYCJSJGJYCDS-LBPRGKRZSA-N CH$LINK: COMPTOX DTXSID8023216 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004161.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004161.txt index f111f2eb070..4f5822e5269 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004161.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004161.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004161 -RECORD_TITLE: 3,3',5-Triiodothyronine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 3,3',5-Triiodothyronine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY AUYYCJSJGJYCDS-LBPRGKRZSA-N CH$LINK: COMPTOX DTXSID8023216 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004162.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004162.txt index 84fb6fef111..5a79551e406 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004162.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004162.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004162 -RECORD_TITLE: Tetrahydropalmatine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Tetrahydropalmatine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:72301 CH$LINK: INCHIKEY AEQDJSLRWYMAQI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001909; Organic compounds; Alkaloids and derivatives; Protoberberine alkaloids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004163.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004163.txt index 7f1fd87e065..b3621ae1a5f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004163.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004163.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004163 -RECORD_TITLE: Tetrahydropalmatine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Tetrahydropalmatine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:72301 CH$LINK: INCHIKEY AEQDJSLRWYMAQI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001909; Organic compounds; Alkaloids and derivatives; Protoberberine alkaloids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004164.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004164.txt index 635e680882a..e605c9ade40 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004164.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004164.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004164 -RECORD_TITLE: Tetrahydropalmatine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Tetrahydropalmatine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:72301 CH$LINK: INCHIKEY AEQDJSLRWYMAQI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001909; Organic compounds; Alkaloids and derivatives; Protoberberine alkaloids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004165.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004165.txt index c9f5366a32d..939ea26229e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004165.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004165.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004165 -RECORD_TITLE: Tetrahydropalmatine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Tetrahydropalmatine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:72301 CH$LINK: INCHIKEY AEQDJSLRWYMAQI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001909; Organic compounds; Alkaloids and derivatives; Protoberberine alkaloids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004166.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004166.txt index fef29cf8c84..4a3e8189f49 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004166.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004166.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004166 -RECORD_TITLE: Tetrahydropalmatine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Tetrahydropalmatine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:72301 CH$LINK: INCHIKEY AEQDJSLRWYMAQI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001909; Organic compounds; Alkaloids and derivatives; Protoberberine alkaloids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004167.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004167.txt index 4f57026fd97..92ae606e046 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004167.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004167.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004167 -RECORD_TITLE: Taurocholic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Taurocholic acid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY WBWWGRHZICKQGZ-HZAMXZRMSA-N CH$LINK: COMPTOX DTXSID00883259 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004168.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004168.txt index f8573a3691a..66840f9102d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004168.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004168.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004168 -RECORD_TITLE: Taurocholic acid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Taurocholic acid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY WBWWGRHZICKQGZ-HZAMXZRMSA-N CH$LINK: COMPTOX DTXSID00883259 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004169.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004169.txt index 99d1b5d226a..594e48ad347 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004169.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004169.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004169 -RECORD_TITLE: Taurocholic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Taurocholic acid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY WBWWGRHZICKQGZ-HZAMXZRMSA-N CH$LINK: COMPTOX DTXSID00883259 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004170.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004170.txt index 868305607e6..49a781edacd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004170.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004170.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004170 -RECORD_TITLE: Taurocholic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Taurocholic acid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY WBWWGRHZICKQGZ-HZAMXZRMSA-N CH$LINK: COMPTOX DTXSID00883259 CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004171.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004171.txt index cddd6c60a1d..ad8229f50a4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004171.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004171.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004171 -RECORD_TITLE: Tolmetin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Tolmetin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UPSPUYADGBWSHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2043951 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004172.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004172.txt index 8756ae6b898..5773a21fc36 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004172.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004172.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004172 -RECORD_TITLE: Tolmetin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Tolmetin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UPSPUYADGBWSHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2043951 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004173.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004173.txt index e611f2251de..c2bbe62cfb2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004173.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004173.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004173 -RECORD_TITLE: Tolmetin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Tolmetin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UPSPUYADGBWSHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2043951 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004174.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004174.txt index 6aadac46fa2..68c8bfe5880 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004174.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004174.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004174 -RECORD_TITLE: Tolmetin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Tolmetin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UPSPUYADGBWSHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2043951 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004175.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004175.txt index 0b4be43b581..61535a67f06 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004175.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004175.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004175 -RECORD_TITLE: Tolmetin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Tolmetin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UPSPUYADGBWSHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2043951 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004176.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004176.txt index 8512b820a11..39054c29906 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004176.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004176.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004176 -RECORD_TITLE: Trimethylamine N-oxide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Trimethylamine N-oxide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UYPYRKYUKCHHIB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8049678 CH$LINK: ChemOnt CHEMONTID:0003993; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Aminoxides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004177.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004177.txt index 64922e5db2c..e7c4758e258 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004177.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004177.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004177 -RECORD_TITLE: Trimethylamine N-oxide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Trimethylamine N-oxide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UYPYRKYUKCHHIB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8049678 CH$LINK: ChemOnt CHEMONTID:0003993; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Aminoxides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004178.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004178.txt index d2bcb775d7d..e4ce66850d1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004178.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004178.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004178 -RECORD_TITLE: Trimethylamine N-oxide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Trimethylamine N-oxide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UYPYRKYUKCHHIB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8049678 CH$LINK: ChemOnt CHEMONTID:0003993; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Aminoxides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004179.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004179.txt index eabdf70858a..38c7f36f3a3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004179.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004179.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004179 -RECORD_TITLE: Trimethylamine N-oxide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Trimethylamine N-oxide; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UYPYRKYUKCHHIB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8049678 CH$LINK: ChemOnt CHEMONTID:0003993; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Aminoxides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004180.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004180.txt index e76b073d908..648a646c6a5 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004180.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004180.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004180 -RECORD_TITLE: Trimethylamine N-oxide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Trimethylamine N-oxide; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UYPYRKYUKCHHIB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8049678 CH$LINK: ChemOnt CHEMONTID:0003993; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Aminoxides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004181.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004181.txt index a75a45a2e00..ba2e06fe51e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004181.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004181.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004181 -RECORD_TITLE: Tryptophanamide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Tryptophanamide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:439356 CH$LINK: INCHIKEY JLSKPBDKNIXMBS-VIFPVBQESA-N CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004182.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004182.txt index e3f15e5eb7f..8200e282531 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004182.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004182.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004182 -RECORD_TITLE: Tryptophanamide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Tryptophanamide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:439356 CH$LINK: INCHIKEY JLSKPBDKNIXMBS-VIFPVBQESA-N CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004183.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004183.txt index 00930347678..1a18d05c4fa 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004183.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004183.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004183 -RECORD_TITLE: Tryptophanamide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Tryptophanamide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:439356 CH$LINK: INCHIKEY JLSKPBDKNIXMBS-VIFPVBQESA-N CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004184.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004184.txt index d0be14d8975..47bcd538698 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004184.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004184.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004184 -RECORD_TITLE: Tryptophanamide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Tryptophanamide; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:439356 CH$LINK: INCHIKEY JLSKPBDKNIXMBS-VIFPVBQESA-N CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004185.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004185.txt index ffd29386b35..6299f9825f2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004185.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004185.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004185 -RECORD_TITLE: Tryptophanamide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Tryptophanamide; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:439356 CH$LINK: INCHIKEY JLSKPBDKNIXMBS-VIFPVBQESA-N CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004186.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004186.txt index bfe3d73ff6c..e66ae551270 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004186.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004186.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004186 -RECORD_TITLE: Thiamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Thiamine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY JZRWCGZRTZMZEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50220251 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004187.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004187.txt index 3b31a6a7d21..ed5df9b6241 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004187.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004187.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004187 -RECORD_TITLE: Thiamine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Thiamine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY JZRWCGZRTZMZEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50220251 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004188.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004188.txt index d82df5a24b9..6aca154a46c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004188.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004188.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004188 -RECORD_TITLE: Thiamine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Thiamine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY JZRWCGZRTZMZEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50220251 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004189.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004189.txt index dcfdb55e502..7db3051fddf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004189.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004189.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004189 -RECORD_TITLE: Thiamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Thiamine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY JZRWCGZRTZMZEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50220251 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004190.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004190.txt index aa48f733aed..4daaec91bae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004190.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004190.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004190 -RECORD_TITLE: Thiamine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Thiamine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY JZRWCGZRTZMZEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50220251 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004191.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004191.txt index 1cc929f1d4f..6e611536fdc 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004191.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004191.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004191 -RECORD_TITLE: Thiamine monophosphate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Thiamine monophosphate; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY HZSAJDVWZRBGIF-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID6048389 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004192.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004192.txt index 100272854d6..ae5444dbb65 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004192.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004192.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004192 -RECORD_TITLE: Thiamine monophosphate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Thiamine monophosphate; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY HZSAJDVWZRBGIF-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID6048389 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004193.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004193.txt index 49bec15d316..c5898067036 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004193.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004193.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004193 -RECORD_TITLE: Thiamine monophosphate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Thiamine monophosphate; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY HZSAJDVWZRBGIF-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID6048389 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004194.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004194.txt index 734a8db8f6b..89652445765 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004194.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004194.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004194 -RECORD_TITLE: Thiamine monophosphate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Thiamine monophosphate; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY HZSAJDVWZRBGIF-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID6048389 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004195.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004195.txt index 9077433606e..6aebbbee2cd 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004195.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004195.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004195 -RECORD_TITLE: Thiamine monophosphate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Thiamine monophosphate; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -23,7 +23,7 @@ CH$LINK: INCHIKEY HZSAJDVWZRBGIF-UHFFFAOYSA-O CH$LINK: COMPTOX DTXSID6048389 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004196.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004196.txt index 0266ea30621..3d9fb066125 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004196.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004196.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004196 -RECORD_TITLE: Trimethylsulfonium; LC-ESI-QQ; MS2; CE:10 V; M+ +RECORD_TITLE: Trimethylsulfonium; LC-ESI-QQQ; MS2; CE:10 V; M+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:1147 CH$LINK: INCHIKEY NRZWQKGABZFFKE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000004; Organic compounds; Organosulfur compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004197.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004197.txt index f7ae670aee7..cc4d82261cf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004197.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004197.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004197 -RECORD_TITLE: Trimethylsulfonium; LC-ESI-QQ; MS2; CE:20 V; M+ +RECORD_TITLE: Trimethylsulfonium; LC-ESI-QQQ; MS2; CE:20 V; M+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:1147 CH$LINK: INCHIKEY NRZWQKGABZFFKE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000004; Organic compounds; Organosulfur compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004198.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004198.txt index 52ce30a1e3f..936e452b787 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004198.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004198.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004198 -RECORD_TITLE: Trimethylsulfonium; LC-ESI-QQ; MS2; CE:30 V; M+ +RECORD_TITLE: Trimethylsulfonium; LC-ESI-QQQ; MS2; CE:30 V; M+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:1147 CH$LINK: INCHIKEY NRZWQKGABZFFKE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000004; Organic compounds; Organosulfur compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004199.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004199.txt index c2665baad86..db21c999d8f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004199.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004199.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004199 -RECORD_TITLE: Trimethylsulfonium; LC-ESI-QQ; MS2; CE:40 V; M+ +RECORD_TITLE: Trimethylsulfonium; LC-ESI-QQQ; MS2; CE:40 V; M+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:1147 CH$LINK: INCHIKEY NRZWQKGABZFFKE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000004; Organic compounds; Organosulfur compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004200.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004200.txt index 8bc8d783dd1..cf252aeb81e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004200.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004200.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004200 -RECORD_TITLE: Trimethylsulfonium; LC-ESI-QQ; MS2; CE:50 V; M+ +RECORD_TITLE: Trimethylsulfonium; LC-ESI-QQQ; MS2; CE:50 V; M+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:1147 CH$LINK: INCHIKEY NRZWQKGABZFFKE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000004; Organic compounds; Organosulfur compounds AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004201.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004201.txt index fd22b06c4f1..08e3d39ae44 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004201.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004201 -RECORD_TITLE: Trigonelline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Trigonelline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY WWNNZCOKKKDOPX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2026230 CH$LINK: ChemOnt CHEMONTID:0000279; Organic compounds; Alkaloids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004202.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004202.txt index ef78e7d6639..5346b10e258 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004202.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004202 -RECORD_TITLE: Trigonelline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Trigonelline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY WWNNZCOKKKDOPX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2026230 CH$LINK: ChemOnt CHEMONTID:0000279; Organic compounds; Alkaloids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004203.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004203.txt index c36cbc3ea45..67a56755a75 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004203.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004203 -RECORD_TITLE: Trigonelline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Trigonelline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY WWNNZCOKKKDOPX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2026230 CH$LINK: ChemOnt CHEMONTID:0000279; Organic compounds; Alkaloids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004204.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004204.txt index 86e9403342e..2e19be3e4d0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004204.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004204 -RECORD_TITLE: Trigonelline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Trigonelline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY WWNNZCOKKKDOPX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2026230 CH$LINK: ChemOnt CHEMONTID:0000279; Organic compounds; Alkaloids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004205.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004205.txt index eee9f76c84e..ed767aa064d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004205.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004205 -RECORD_TITLE: Trigonelline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Trigonelline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY WWNNZCOKKKDOPX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2026230 CH$LINK: ChemOnt CHEMONTID:0000279; Organic compounds; Alkaloids and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004206.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004206.txt index c746bb0aee4..baefc1a2348 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004206.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004206 -RECORD_TITLE: Tropinone; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Tropinone; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:79038 CH$LINK: INCHIKEY QQXLDOJGLXJCSE-KNVOCYPGSA-N CH$LINK: ChemOnt CHEMONTID:0000492; Organic compounds; Alkaloids and derivatives; Tropane alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004207.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004207.txt index 965ea200c19..c01be128235 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004207.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004207 -RECORD_TITLE: Tropinone; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Tropinone; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:79038 CH$LINK: INCHIKEY QQXLDOJGLXJCSE-KNVOCYPGSA-N CH$LINK: ChemOnt CHEMONTID:0000492; Organic compounds; Alkaloids and derivatives; Tropane alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004208.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004208.txt index df75132a679..121cc4f4fd2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004208.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004208 -RECORD_TITLE: Tropinone; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Tropinone; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:79038 CH$LINK: INCHIKEY QQXLDOJGLXJCSE-KNVOCYPGSA-N CH$LINK: ChemOnt CHEMONTID:0000492; Organic compounds; Alkaloids and derivatives; Tropane alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004209.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004209.txt index 8f159ee761a..a76a712dd5e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004209.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004209 -RECORD_TITLE: Tropinone; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Tropinone; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:79038 CH$LINK: INCHIKEY QQXLDOJGLXJCSE-KNVOCYPGSA-N CH$LINK: ChemOnt CHEMONTID:0000492; Organic compounds; Alkaloids and derivatives; Tropane alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004210.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004210.txt index f6bb89beff1..48495beae23 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004210.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004210.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004210 -RECORD_TITLE: Tropinone; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Tropinone; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -20,7 +20,7 @@ CH$LINK: PUBCHEM CID:79038 CH$LINK: INCHIKEY QQXLDOJGLXJCSE-KNVOCYPGSA-N CH$LINK: ChemOnt CHEMONTID:0000492; Organic compounds; Alkaloids and derivatives; Tropane alkaloids AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004211.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004211.txt index 13817ba3a98..ef0aea5f801 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004211.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004211.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004211 -RECORD_TITLE: Trehalose 6-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Trehalose 6-phosphate; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:122336 CH$LINK: INCHIKEY LABSPYBHMPDTEL-LIZSDCNHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004212.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004212.txt index f5c8b054cb3..cf224743664 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004212.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004212.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004212 -RECORD_TITLE: Trehalose 6-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Trehalose 6-phosphate; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:122336 CH$LINK: INCHIKEY LABSPYBHMPDTEL-LIZSDCNHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004213.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004213.txt index f24f3db3e4b..2b165ddc632 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004213.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004213.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004213 -RECORD_TITLE: Trehalose 6-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Trehalose 6-phosphate; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:122336 CH$LINK: INCHIKEY LABSPYBHMPDTEL-LIZSDCNHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004214.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004214.txt index ef9da52209a..f695ea83dbe 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004214.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004214.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004214 -RECORD_TITLE: Trehalose 6-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Trehalose 6-phosphate; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:122336 CH$LINK: INCHIKEY LABSPYBHMPDTEL-LIZSDCNHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004215.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004215.txt index bdf3410834f..4306df9e0ff 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004215.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004215.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004215 -RECORD_TITLE: Trehalose 6-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Trehalose 6-phosphate; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:122336 CH$LINK: INCHIKEY LABSPYBHMPDTEL-LIZSDCNHSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004216.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004216.txt index 626792fb6f1..36a4484be09 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004216.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004216.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004216 -RECORD_TITLE: Timolol; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Timolol; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY BLJRIMJGRPQVNF-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID4023674 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004217.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004217.txt index be02ab7673f..db4fb287e26 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004217.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004217.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004217 -RECORD_TITLE: Timolol; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Timolol; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY BLJRIMJGRPQVNF-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID4023674 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004218.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004218.txt index 8843dad517d..f35b2cdf708 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004218.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004218.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004218 -RECORD_TITLE: Timolol; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Timolol; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY BLJRIMJGRPQVNF-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID4023674 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004219.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004219.txt index 2ac603a8b67..b1a04809334 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004219.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004219.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004219 -RECORD_TITLE: Timolol; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Timolol; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY BLJRIMJGRPQVNF-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID4023674 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004220.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004220.txt index f09caa6a6d1..7f4f9a69f1d 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004220.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004220.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004220 -RECORD_TITLE: Timolol; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Timolol; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY BLJRIMJGRPQVNF-JTQLQIEISA-N CH$LINK: COMPTOX DTXSID4023674 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004221.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004221.txt index 47c7c5ea918..6c380e10d4b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004221.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004221.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004221 -RECORD_TITLE: Propiconazole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Propiconazole; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY STJLVHWMYQXCPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024280 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004222.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004222.txt index 90c240d86e4..e8f65fee7a6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004222.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004222.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004222 -RECORD_TITLE: Propiconazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Propiconazole; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY STJLVHWMYQXCPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024280 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004223.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004223.txt index a967664be8a..686e4fa9440 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004223.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004223.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004223 -RECORD_TITLE: Propiconazole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Propiconazole; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY STJLVHWMYQXCPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024280 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004224.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004224.txt index 7ea2995aed5..efaccd23834 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004224.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004224.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004224 -RECORD_TITLE: Propiconazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Propiconazole; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY STJLVHWMYQXCPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024280 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004225.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004225.txt index ee79647af7b..1f1c09f8ec0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004225.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004225.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004225 -RECORD_TITLE: Propiconazole; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Propiconazole; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY STJLVHWMYQXCPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024280 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004226.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004226.txt index ebad45611a4..9a1b8c67fb9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004226.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004226.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004226 -RECORD_TITLE: Triadimefon; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Triadimefon; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WURBVZBTWMNKQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023897 CH$LINK: ChemOnt CHEMONTID:0002341; Organic compounds; Benzenoids; Phenol ethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004227.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004227.txt index a827720d6c5..26d1263118e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004227.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004227.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004227 -RECORD_TITLE: Triadimefon; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Triadimefon; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WURBVZBTWMNKQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023897 CH$LINK: ChemOnt CHEMONTID:0002341; Organic compounds; Benzenoids; Phenol ethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004228.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004228.txt index d46111bf7b0..ca1ee87108e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004228.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004228.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004228 -RECORD_TITLE: Triadimefon; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Triadimefon; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WURBVZBTWMNKQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023897 CH$LINK: ChemOnt CHEMONTID:0002341; Organic compounds; Benzenoids; Phenol ethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004229.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004229.txt index b59af86e321..8dac4e29f9e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004229.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004229.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004229 -RECORD_TITLE: Triadimefon; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Triadimefon; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WURBVZBTWMNKQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023897 CH$LINK: ChemOnt CHEMONTID:0002341; Organic compounds; Benzenoids; Phenol ethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004230.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004230.txt index 14336c2b2ee..fbb79cf8ddf 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004230.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004230.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004230 -RECORD_TITLE: Triadimefon; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Triadimefon; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WURBVZBTWMNKQT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3023897 CH$LINK: ChemOnt CHEMONTID:0002341; Organic compounds; Benzenoids; Phenol ethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004231.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004231.txt index ae3a9ec25a0..a9086cef887 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004231.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004231.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004231 -RECORD_TITLE: Trifluoperazine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Trifluoperazine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZEWQUBUPAILYHI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1046928 CH$LINK: ChemOnt CHEMONTID:0000310; Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004232.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004232.txt index 6da761f26e7..1742aec36d0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004232.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004232.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004232 -RECORD_TITLE: Trifluoperazine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Trifluoperazine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZEWQUBUPAILYHI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1046928 CH$LINK: ChemOnt CHEMONTID:0000310; Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004233.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004233.txt index b8bcbd2f024..02eecde6794 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004233.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004233.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004233 -RECORD_TITLE: Trifluoperazine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Trifluoperazine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZEWQUBUPAILYHI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1046928 CH$LINK: ChemOnt CHEMONTID:0000310; Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004234.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004234.txt index ca192dd29e8..6caa81389f3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004234.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004234.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004234 -RECORD_TITLE: Trifluoperazine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Trifluoperazine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZEWQUBUPAILYHI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1046928 CH$LINK: ChemOnt CHEMONTID:0000310; Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004235.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004235.txt index ad12ae0347e..e1d86f278b9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004235.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004235.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004235 -RECORD_TITLE: Trifluoperazine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Trifluoperazine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZEWQUBUPAILYHI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1046928 CH$LINK: ChemOnt CHEMONTID:0000310; Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004236.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004236.txt index 5e5b1c21948..eeb4c660654 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004236.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004236.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004236 -RECORD_TITLE: Tioconazole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Tioconazole; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QXHHHPZILQDDPS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046619 CH$LINK: ChemOnt CHEMONTID:0002542; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004237.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004237.txt index 3195fa8f9ec..c2c37ad2c18 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004237.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004237.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004237 -RECORD_TITLE: Tioconazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Tioconazole; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QXHHHPZILQDDPS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046619 CH$LINK: ChemOnt CHEMONTID:0002542; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004238.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004238.txt index 39b53392615..7e0d34ae353 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004238.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004238.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004238 -RECORD_TITLE: Tioconazole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Tioconazole; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QXHHHPZILQDDPS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046619 CH$LINK: ChemOnt CHEMONTID:0002542; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004239.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004239.txt index 4c1439fd390..cabb7b4c15a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004239.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004239.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004239 -RECORD_TITLE: Tioconazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Tioconazole; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QXHHHPZILQDDPS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046619 CH$LINK: ChemOnt CHEMONTID:0002542; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004240.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004240.txt index e75a2102cd7..dca0ba3371b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004240.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004240.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004240 -RECORD_TITLE: Tioconazole; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Tioconazole; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QXHHHPZILQDDPS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3046619 CH$LINK: ChemOnt CHEMONTID:0002542; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzylethers AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004241.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004241.txt index a57d5a72dbe..0d6d71cced3 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004241.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004241.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004241 -RECORD_TITLE: Terbutaline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Terbutaline; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY XWTYSIMOBUGWOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021310 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004242.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004242.txt index 25f63437da9..b1daa615dd6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004242.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004242.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004242 -RECORD_TITLE: Terbutaline; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Terbutaline; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY XWTYSIMOBUGWOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021310 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004243.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004243.txt index 5103838a23a..0bf4362d123 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004243.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004243.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004243 -RECORD_TITLE: Terbutaline; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Terbutaline; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY XWTYSIMOBUGWOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021310 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004244.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004244.txt index a9ed46f8787..808e47cc1d2 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004244.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004244.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004244 -RECORD_TITLE: Terbutaline; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Terbutaline; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY XWTYSIMOBUGWOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021310 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004245.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004245.txt index 6edf81049f8..b60fef0adf6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004245.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004245.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004245 -RECORD_TITLE: Terbutaline; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Terbutaline; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY XWTYSIMOBUGWOL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021310 CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004246.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004246.txt index 1a635b9e6ca..d1f82ecc837 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004246.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004246.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004246 -RECORD_TITLE: Uridine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Uridine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY DRTQHJPVMGBUCF-XVFCMESISA-N CH$LINK: COMPTOX DTXSID40891555 CH$LINK: ChemOnt CHEMONTID:0000480; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004247.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004247.txt index c1364041c1b..390e684863c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004247.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004247.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004247 -RECORD_TITLE: Uridine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Uridine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY DRTQHJPVMGBUCF-XVFCMESISA-N CH$LINK: COMPTOX DTXSID40891555 CH$LINK: ChemOnt CHEMONTID:0000480; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004248.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004248.txt index b76271ebdef..fab3c7759d4 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004248.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004248.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004248 -RECORD_TITLE: Uridine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Uridine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY DRTQHJPVMGBUCF-XVFCMESISA-N CH$LINK: COMPTOX DTXSID40891555 CH$LINK: ChemOnt CHEMONTID:0000480; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004249.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004249.txt index 0c72e9888f3..70227e96981 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004249.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004249.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004249 -RECORD_TITLE: Uridine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Uridine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY DRTQHJPVMGBUCF-XVFCMESISA-N CH$LINK: COMPTOX DTXSID40891555 CH$LINK: ChemOnt CHEMONTID:0000480; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004250.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004250.txt index 6a62fd43539..1c162623aae 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004250.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004250.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004250 -RECORD_TITLE: Uridine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Uridine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY DRTQHJPVMGBUCF-XVFCMESISA-N CH$LINK: COMPTOX DTXSID40891555 CH$LINK: ChemOnt CHEMONTID:0000480; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004251.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004251.txt index 7c6bc812ef6..122038ca0eb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004251.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004251.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004251 -RECORD_TITLE: L-Valine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: L-Valine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY KZSNJWFQEVHDMF-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40883233 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004252.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004252.txt index 1a2b848965a..4020f73c2ab 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004252.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004252.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004252 -RECORD_TITLE: L-Valine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: L-Valine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY KZSNJWFQEVHDMF-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40883233 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004253.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004253.txt index c5c23c2156a..35850ffdf83 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004253.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004253.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004253 -RECORD_TITLE: L-Valine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: L-Valine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY KZSNJWFQEVHDMF-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40883233 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004254.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004254.txt index e28c1cf6537..425bf902049 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004254.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004254.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004254 -RECORD_TITLE: L-Valine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: L-Valine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY KZSNJWFQEVHDMF-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40883233 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004255.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004255.txt index 9ed5334a197..309842d89c8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004255.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004255.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004255 -RECORD_TITLE: L-Valine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: L-Valine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY KZSNJWFQEVHDMF-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40883233 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004256.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004256.txt index cd2eb4e22f3..42b02456c28 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004256.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004256.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004256 -RECORD_TITLE: Velpar; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Velpar; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY CAWXEEYDBZRFPE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024145 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004257.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004257.txt index efeb6848eb8..02badab73d6 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004257.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004257.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004257 -RECORD_TITLE: Velpar; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Velpar; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY CAWXEEYDBZRFPE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024145 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004258.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004258.txt index 54d66d23ad5..e8d37806fca 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004258.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004258.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004258 -RECORD_TITLE: Velpar; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Velpar; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY CAWXEEYDBZRFPE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024145 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004259.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004259.txt index b11ed00edf9..cf6943c32d8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004259.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004259.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004259 -RECORD_TITLE: Velpar; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Velpar; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY CAWXEEYDBZRFPE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024145 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004260.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004260.txt index 7fea6a722b3..f0637cca965 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004260.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004260.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004260 -RECORD_TITLE: Velpar; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Velpar; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY CAWXEEYDBZRFPE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024145 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004261.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004261.txt index bd27327ec69..5bafb60d938 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004261.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004261.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004261 -RECORD_TITLE: Verapamil; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Verapamil; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SGTNSNPWRIOYBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9041152 CH$LINK: ChemOnt CHEMONTID:0000014; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004262.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004262.txt index 90579566c4a..312dd09c177 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004262.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004262.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004262 -RECORD_TITLE: Verapamil; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Verapamil; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SGTNSNPWRIOYBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9041152 CH$LINK: ChemOnt CHEMONTID:0000014; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004263.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004263.txt index 8eb5a377fdc..36bb19b060b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004263.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004263.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004263 -RECORD_TITLE: Verapamil; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Verapamil; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SGTNSNPWRIOYBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9041152 CH$LINK: ChemOnt CHEMONTID:0000014; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004264.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004264.txt index 5aa6041fa89..15d5952d7a8 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004264.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004264.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004264 -RECORD_TITLE: Verapamil; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Verapamil; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SGTNSNPWRIOYBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9041152 CH$LINK: ChemOnt CHEMONTID:0000014; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004265.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004265.txt index 08b59b75af3..5a1d8b04fc7 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004265.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004265.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004265 -RECORD_TITLE: Verapamil; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Verapamil; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SGTNSNPWRIOYBX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9041152 CH$LINK: ChemOnt CHEMONTID:0000014; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylbutylamines AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004266.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004266.txt index 52803ed7180..ce13f41c25e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004266.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004266.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004266 -RECORD_TITLE: Xanthopterin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Xanthopterin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY VURKRJGMSKJIQX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70152282 CH$LINK: ChemOnt CHEMONTID:0000110; Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004267.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004267.txt index 44c89fd5628..1c93cd1d92e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004267.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004267.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004267 -RECORD_TITLE: Xanthopterin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Xanthopterin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY VURKRJGMSKJIQX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70152282 CH$LINK: ChemOnt CHEMONTID:0000110; Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004268.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004268.txt index 3d0fe86a94d..4e449b1285a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004268.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004268.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004268 -RECORD_TITLE: Xanthopterin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Xanthopterin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY VURKRJGMSKJIQX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70152282 CH$LINK: ChemOnt CHEMONTID:0000110; Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004269.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004269.txt index de0bfd5a33c..83f63e1ac5a 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004269.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004269.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004269 -RECORD_TITLE: Xanthopterin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Xanthopterin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY VURKRJGMSKJIQX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70152282 CH$LINK: ChemOnt CHEMONTID:0000110; Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004270.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004270.txt index acea4394dcd..7051d280e14 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004270.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004270.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004270 -RECORD_TITLE: Xanthopterin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Xanthopterin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY VURKRJGMSKJIQX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70152282 CH$LINK: ChemOnt CHEMONTID:0000110; Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004271.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004271.txt index d6f69e6ce14..e089f1a867c 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004271.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004271.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004271 -RECORD_TITLE: Zalcitabine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Zalcitabine; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY WREGKURFCTUGRC-POYBYMJQSA-N CH$LINK: COMPTOX DTXSID0023747 CH$LINK: ChemOnt CHEMONTID:0002182; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2',3'-dideoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004272.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004272.txt index 7faadd9f9ec..ea10358c2cb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004272.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004272.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004272 -RECORD_TITLE: Zalcitabine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Zalcitabine; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY WREGKURFCTUGRC-POYBYMJQSA-N CH$LINK: COMPTOX DTXSID0023747 CH$LINK: ChemOnt CHEMONTID:0002182; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2',3'-dideoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004273.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004273.txt index d52e702ee95..2c72f88c507 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004273.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004273.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004273 -RECORD_TITLE: Zalcitabine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Zalcitabine; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY WREGKURFCTUGRC-POYBYMJQSA-N CH$LINK: COMPTOX DTXSID0023747 CH$LINK: ChemOnt CHEMONTID:0002182; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2',3'-dideoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004274.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004274.txt index 997ffc655ec..4a2ae06d887 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004274.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004274.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004274 -RECORD_TITLE: Zalcitabine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Zalcitabine; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY WREGKURFCTUGRC-POYBYMJQSA-N CH$LINK: COMPTOX DTXSID0023747 CH$LINK: ChemOnt CHEMONTID:0002182; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2',3'-dideoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004275.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004275.txt index 7efa96205a6..9ec5be2e2da 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004275.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004275.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004275 -RECORD_TITLE: Zalcitabine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Zalcitabine; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY WREGKURFCTUGRC-POYBYMJQSA-N CH$LINK: COMPTOX DTXSID0023747 CH$LINK: ChemOnt CHEMONTID:0002182; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2',3'-dideoxyribonucleosides AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004276.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004276.txt index 4cfecce2062..bd49dc34f3b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004276.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004276.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004276 -RECORD_TITLE: trans-Zeatin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: trans-Zeatin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004277.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004277.txt index 19f022c9574..79a33eda83f 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004277.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004277.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004277 -RECORD_TITLE: trans-Zeatin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: trans-Zeatin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004278.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004278.txt index e09fa448733..5f6138cf3a0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004278.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004278.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004278 -RECORD_TITLE: trans-Zeatin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: trans-Zeatin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004279.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004279.txt index 9fb65579fcf..5df81b985bb 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004279.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004279.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004279 -RECORD_TITLE: trans-Zeatin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: trans-Zeatin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004280.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004280.txt index 3e8915b3bea..bf5b32052a1 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004280.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004280.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004280 -RECORD_TITLE: trans-Zeatin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: trans-Zeatin; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004281.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004281.txt index 434468a60ef..b066351dad9 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004281.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004281.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004281 -RECORD_TITLE: Z-Gly-Pro; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Z-Gly-Pro; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439540 CH$LINK: INCHIKEY ZTUKZKYDJMGJDC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004282.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004282.txt index 46bb4f9f3d8..3798fc433e0 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004282.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004282.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004282 -RECORD_TITLE: Z-Gly-Pro; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Z-Gly-Pro; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439540 CH$LINK: INCHIKEY ZTUKZKYDJMGJDC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004283.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004283.txt index 077a485a0f7..557e5b74010 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004283.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004283.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004283 -RECORD_TITLE: Z-Gly-Pro; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Z-Gly-Pro; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439540 CH$LINK: INCHIKEY ZTUKZKYDJMGJDC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004284.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004284.txt index 89c9787678d..47990b5d00e 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004284.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004284.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004284 -RECORD_TITLE: Z-Gly-Pro; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Z-Gly-Pro; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439540 CH$LINK: INCHIKEY ZTUKZKYDJMGJDC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Keio_Univ/MSBNK-Keio_Univ-KO004285.txt b/Keio_Univ/MSBNK-Keio_Univ-KO004285.txt index 24171843edd..5e11ee56a2b 100644 --- a/Keio_Univ/MSBNK-Keio_Univ-KO004285.txt +++ b/Keio_Univ/MSBNK-Keio_Univ-KO004285.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Keio_Univ-KO004285 -RECORD_TITLE: Z-Gly-Pro; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Z-Gly-Pro; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10) AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ. LICENSE: CC BY-NC-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439540 CH$LINK: INCHIKEY ZTUKZKYDJMGJDC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API3000, Applied Biosystems -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00028.txt b/MSSJ/MSBNK-MSSJ-MSJ00028.txt index eda25ae4a0d..e8b57255485 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00028.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00028.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00028 -RECORD_TITLE: 2-(Perfluorooctyl)ethanol; LC-ESI-QQ; MS2; [M-H]-; CE 10 V +RECORD_TITLE: 2-(Perfluorooctyl)ethanol; LC-ESI-QQQ; MS2; [M-H]-; CE 10 V DATE: 2016.01.19 (Created 2014.07.23) AUTHORS: CASMI2013 organizers LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY JJUBFBTUBACDHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7029904 CH$LINK: ChemOnt CHEMONTID:0001027; Organic compounds; Organohalogen compounds; Alkyl halides; Alkyl fluorides AC$INSTRUMENT: Acquity UPLC and a Xevo TQ (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00029.txt b/MSSJ/MSBNK-MSSJ-MSJ00029.txt index 5356a7ace2e..dd7221e594c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00029.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00029.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00029 -RECORD_TITLE: 2-(Perfluorooctyl)ethanol; LC-ESI-QQ; MS2; [M-H]-; CE 45 V +RECORD_TITLE: 2-(Perfluorooctyl)ethanol; LC-ESI-QQQ; MS2; [M-H]-; CE 45 V DATE: 2016.01.19 (Created 2014.07.23) AUTHORS: CASMI2013 organizers LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY JJUBFBTUBACDHW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7029904 CH$LINK: ChemOnt CHEMONTID:0001027; Organic compounds; Organohalogen compounds; Alkyl halides; Alkyl fluorides AC$INSTRUMENT: Acquity UPLC and a Xevo TQ (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 45 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00033.txt b/MSSJ/MSBNK-MSSJ-MSJ00033.txt index 87361a5d14b..2909c58d4a2 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00033.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00033.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00033 -RECORD_TITLE: Ofloxacin; LC-ESI-QQ; MS2; [M+H]+; CE 20 V +RECORD_TITLE: Ofloxacin; LC-ESI-QQQ; MS2; [M+H]+; CE 20 V DATE: 2016.01.19 (Created 2014.07.24) AUTHORS: CASMI2013 organizers LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY GSDSWSVVBLHKDQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3041085 CH$LINK: ChemOnt CHEMONTID:0002552; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids AC$INSTRUMENT: Acquity UPLC and a Xevo TQ (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00034.txt b/MSSJ/MSBNK-MSSJ-MSJ00034.txt index 19f712cb06a..7413c089cb4 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00034.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00034.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00034 -RECORD_TITLE: Ofloxacin; LC-ESI-QQ; MS2; [M+H]+; CE 40 V +RECORD_TITLE: Ofloxacin; LC-ESI-QQQ; MS2; [M+H]+; CE 40 V DATE: 2016.01.19 (Created 2014.07.24) AUTHORS: CASMI2013 organizers LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY GSDSWSVVBLHKDQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3041085 CH$LINK: ChemOnt CHEMONTID:0002552; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids AC$INSTRUMENT: Acquity UPLC and a Xevo TQ (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00039.txt b/MSSJ/MSBNK-MSSJ-MSJ00039.txt index 7eb55cf253c..f81707ae4f4 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00039.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00039.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00039 -RECORD_TITLE: N-(3-Oxobutyl)-tyrosine; LC-ESI-QQ; MS2; [M+H]+; Positive +RECORD_TITLE: N-(3-Oxobutyl)-tyrosine; LC-ESI-QQQ; MS2; [M+H]+; Positive DATE: 2017.07.13 (Created 2016.10.24) AUTHORS: Takahashi, Y., Horiyama, S, et al, Mukogawa Women's University LICENSE: CC BY @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY UTJBBUZXYRKCRR-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:133052748 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: Quattro Premier, Micromass. Alliance HT 2795,Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 13 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ00040.txt b/MSSJ/MSBNK-MSSJ-MSJ00040.txt index 57ae3161f2b..f8069347fd2 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00040.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00040.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00040 -RECORD_TITLE: N-(3-Oxobutyl)-tyrosine; LC-ESI-QQ; MS2; [M-H]-; Negative +RECORD_TITLE: N-(3-Oxobutyl)-tyrosine; LC-ESI-QQQ; MS2; [M-H]-; Negative DATE: 2017.07.13 (Created 2016.10.26) AUTHORS: Takahashi, Y., Horiyama, S, et al, Mukogawa Women's University LICENSE: CC BY @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY UTJBBUZXYRKCRR-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:133052748 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: Quattro Premier, Micromass. Alliance HT 2795,Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 13 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ00041.txt b/MSSJ/MSBNK-MSSJ-MSJ00041.txt index 37cfb5e01c5..d1a0385407d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00041.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00041.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00041 -RECORD_TITLE: RvD1; LC-ESI-QQ; MS2; [M-H]-; Negative +RECORD_TITLE: RvD1; LC-ESI-QQQ; MS2; [M-H]-; Negative DATE: 2017.07.13 (Created 2016.10.28) AUTHORS: Kie Kasuga, Takahiro Suga, Nariyasu Mano (Tohoku University, Tohoku University Hospital) LICENSE: CC BY @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY OIWTWACQMDFHJG-CCFUIAGSSA-N CH$LINK: PUBCHEM CID:44251266 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TSQ Vantage, Thermo Scientific coupled to Nexera, Shimadzu -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 17 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ00042.txt b/MSSJ/MSBNK-MSSJ-MSJ00042.txt index f4bac6c2de1..761c8e17d90 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00042.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00042.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00042 -RECORD_TITLE: LTB4; LC-ESI-QQ; MS2; [M-H]-; Negative +RECORD_TITLE: LTB4; LC-ESI-QQQ; MS2; [M-H]-; Negative DATE: 2017.07.13 (Created 2016.10.28) AUTHORS: Kie Kasuga, Takahiro Suga, Nariyasu Mano (Tohoku University, Tohoku University Hospital) LICENSE: CC BY @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5280492 CH$LINK: INCHIKEY VNYSSYRCGWBHLG-AMOLWHMGSA-N CH$LINK: ChemOnt CHEMONTID:0000513; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids AC$INSTRUMENT: TSQ Vantage, Thermo Scientific coupled to Nexera, Shimadzu -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 18 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ00043.txt b/MSSJ/MSBNK-MSSJ-MSJ00043.txt index 50397aa1046..a9bf23fd6c3 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00043.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00043.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00043 -RECORD_TITLE: LXA4; LC-ESI-QQ; MS2; [M-H]-; Negative +RECORD_TITLE: LXA4; LC-ESI-QQQ; MS2; [M-H]-; Negative DATE: 2017.07.13 (Created 2016.10.28) AUTHORS: Kie Kasuga, Takahiro Suga, Nariyasu Mano (Tohoku University, Tohoku University Hospital) LICENSE: CC BY @@ -24,7 +24,7 @@ CH$LINK: NIKKAJI J138.388D CH$LINK: PUBCHEM CID:5280914 CH$LINK: ChemOnt CHEMONTID:0000513; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids AC$INSTRUMENT: TSQ Vantage, Thermo Scientific coupled to Nexera, Shimadzu -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 17 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ00044.txt b/MSSJ/MSBNK-MSSJ-MSJ00044.txt index 95135a406c9..044debee824 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00044.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00044.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00044 -RECORD_TITLE: MaR1; LC-ESI-QQ; MS2; [M-H]-; Negative +RECORD_TITLE: MaR1; LC-ESI-QQQ; MS2; [M-H]-; Negative DATE: 2017.07.13 (Created 2016.11.04) AUTHORS: Kie Kasuga, Takahiro Suga, Nariyasu Mano (Tohoku University, Tohoku University Hospital) LICENSE: CC BY @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HLHYXXBCQOUTGK-FHCQLJOMSA-N CH$LINK: PUBCHEM CID:60201795 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TSQ Vantage, Thermo Scientific coupled to Nexera, Shimadzu -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 19 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ00045.txt b/MSSJ/MSBNK-MSSJ-MSJ00045.txt index 22abe443385..1f9d86e5db7 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00045.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00045.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00045 -RECORD_TITLE: PGD2; LC-ESI-QQ; MS2; [M-H]-; Negative +RECORD_TITLE: PGD2; LC-ESI-QQQ; MS2; [M-H]-; Negative DATE: 2017.07.13 (Created 2016.11.04) AUTHORS: Kie Kasuga, Takahiro Suga, Nariyasu Mano (Tohoku University, Tohoku University Hospital) LICENSE: CC BY @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY BHMBVRSPMRCCGG-OUTUXVNYSA-N CH$LINK: COMPTOX DTXSID30897162 CH$LINK: ChemOnt CHEMONTID:0000513; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids AC$INSTRUMENT: TSQ Vantage, Thermo Scientific coupled to Nexera, Shimadzu -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ00046.txt b/MSSJ/MSBNK-MSSJ-MSJ00046.txt index d8d4ea328e7..9d8faab1de1 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00046.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00046.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00046 -RECORD_TITLE: PGF2alpha; LC-ESI-QQ; MS2; [M-H]-; Negative +RECORD_TITLE: PGF2alpha; LC-ESI-QQQ; MS2; [M-H]-; Negative DATE: 2017.07.13 (Created 2016.11.04) AUTHORS: Kie Kasuga, Takahiro Suga, Nariyasu Mano (Tohoku University, Tohoku University Hospital) LICENSE: CC BY @@ -27,7 +27,7 @@ CH$LINK: NIKKAJI J9.246K CH$LINK: PUBCHEM CID:5280363 CH$LINK: ChemOnt CHEMONTID:0000513; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids AC$INSTRUMENT: TSQ Vantage, Thermo Scientific coupled to Nexera, Shimadzu -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 27 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ00047.txt b/MSSJ/MSBNK-MSSJ-MSJ00047.txt index 4a048bc47f2..6fb5e3db240 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00047.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00047.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00047 -RECORD_TITLE: Arachidonic acid; LC-ESI-QQ; MS2; Negative; [M-H]- +RECORD_TITLE: Arachidonic acid; LC-ESI-QQQ; MS2; Negative; [M-H]- DATE: 2017.07.13 (Created 2017.01.05) AUTHORS: Kie Kasuga, Takahiro Suga, Nariyasu Mano (Tohoku University, Tohoku University Hospital) LICENSE: CC BY @@ -25,7 +25,7 @@ CH$LINK: LIPIDMAPS LMFA01030001 CH$LINK: PUBCHEM CID:444899 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TSQ Vantage, Thermo Scientific coupled to Nexera, Shimadzu -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 16 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ00048.txt b/MSSJ/MSBNK-MSSJ-MSJ00048.txt index 2e1da5a003e..d4847e77529 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00048.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00048.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00048 -RECORD_TITLE: Arachidonic acid-[5,6,8,9,11,12,14,15-d8]; LC-ESI-QQ; MS2; Negative; [M-H]- +RECORD_TITLE: Arachidonic acid-[5,6,8,9,11,12,14,15-d8]; LC-ESI-QQQ; MS2; Negative; [M-H]- DATE: 2017.07.13 (Created 2016.11.23) AUTHORS: Kie Kasuga, Takahiro Suga, Nariyasu Mano (Tohoku University, Tohoku University Hospital) LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YZXBAPSDXZZRGB-FBFLGLDDSA-N CH$LINK: PUBCHEM CID:3246804 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TSQ Vantage, Thermo Scientific coupled to Nexera, Shimadzu -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 16 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ00049.txt b/MSSJ/MSBNK-MSSJ-MSJ00049.txt index 1539c5eb5ce..e57d456e9c2 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00049.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00049.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00049 -RECORD_TITLE: DHA; LC-ESI-QQ; MS2; Negative; [M-H]- +RECORD_TITLE: DHA; LC-ESI-QQQ; MS2; Negative; [M-H]- DATE: 2017.07.13 (Created 2016.11.23) AUTHORS: Kie Kasuga, Takahiro Suga, Nariyasu Mano (Tohoku University, Tohoku University Hospital) LICENSE: CC BY @@ -28,7 +28,7 @@ CH$LINK: LIPIDMAPS LMFA01030185 CH$LINK: PUBCHEM CID:445580 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TSQ Vantage, Thermo Scientific coupled to Nexera, Shimadzu -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ00050.txt b/MSSJ/MSBNK-MSSJ-MSJ00050.txt index 3def203afb0..61108212e4b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00050.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00050.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00050 -RECORD_TITLE: DHA-[21,21,22,22,22-d5]; LC-ESI-QQ; MS2; Negative; [M-H]- +RECORD_TITLE: DHA-[21,21,22,22,22-d5]; LC-ESI-QQQ; MS2; Negative; [M-H]- DATE: 2017.07.13 (Created 2016.11.23) AUTHORS: Kie Kasuga, Takahiro Suga, Nariyasu Mano (Tohoku University, Tohoku University Hospital) LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MBMBGCFOFBJSGT-RPBOKJFVSA-N CH$LINK: PUBCHEM CID:24778483 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TSQ Vantage, Thermo Scientific coupled to Nexera, Shimadzu -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ00051.txt b/MSSJ/MSBNK-MSSJ-MSJ00051.txt index 4ef865dee2e..3f0f4effa86 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00051.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00051.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00051 -RECORD_TITLE: EPA; LC-ESI-QQ; MS2; Negative; [M-H]- +RECORD_TITLE: EPA; LC-ESI-QQQ; MS2; Negative; [M-H]- DATE: 2017.07.13 (Created 2016.11.23) AUTHORS: Kie Kasuga, Takahiro Suga, Nariyasu Mano (Tohoku University, Tohoku University Hospital) LICENSE: CC BY @@ -25,7 +25,7 @@ CH$LINK: CHEMSPIDER 393682 CH$LINK: COMPTOX DTXSID9041023 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TSQ Vantage, Thermo Scientific coupled to Nexera, Shimadzu -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ00052.txt b/MSSJ/MSBNK-MSSJ-MSJ00052.txt index 0c38a4fc246..8be49ab900a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00052.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00052.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00052 -RECORD_TITLE: LXA4-[19,19,20,20,20-d5]; LC-ESI-QQ; MS2; Negative; [M-H]- +RECORD_TITLE: LXA4-[19,19,20,20,20-d5]; LC-ESI-QQQ; MS2; Negative; [M-H]- DATE: 2017.07.13 (Created 2016.11.23) AUTHORS: Kie Kasuga, Takahiro Suga, Nariyasu Mano (Tohoku University, Tohoku University Hospital) LICENSE: CC BY @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY IXAQOQZEOGMIQS-YUMLLTTFSA-N CH$LINK: PUBCHEM CID:139291900 CH$LINK: ChemOnt CHEMONTID:0000513; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids AC$INSTRUMENT: TSQ Vantage, Thermo Scientific coupled to Nexera, Shimadzu -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 17 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ00053.txt b/MSSJ/MSBNK-MSSJ-MSJ00053.txt index 3372cc09f77..a745a7777d8 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00053.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00053.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00053 -RECORD_TITLE: PGE2; LC-ESI-QQ; MS2; Negative; [M-H]- +RECORD_TITLE: PGE2; LC-ESI-QQQ; MS2; Negative; [M-H]- DATE: 2017.07.13 (Created 2016.11.23) AUTHORS: Kie Kasuga, Takahiro Suga, Nariyasu Mano (Tohoku University, Tohoku University Hospital) LICENSE: CC BY @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY XEYBRNLFEZDVAW-ARSRFYASSA-N CH$LINK: COMPTOX DTXSID4022947 CH$LINK: ChemOnt CHEMONTID:0000513; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids AC$INSTRUMENT: TSQ Vantage, Thermo Scientific coupled to Nexera, Shimadzu -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ00054.txt b/MSSJ/MSBNK-MSSJ-MSJ00054.txt index 84b63b55883..8edc43c1333 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00054.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00054.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00054 -RECORD_TITLE: PGE2-[3,3,4,4-d4]; LC-ESI-QQ; MS2 +RECORD_TITLE: PGE2-[3,3,4,4-d4]; LC-ESI-QQQ; MS2 DATE: 2017.07.13 (Created 2016.11.23) AUTHORS: Kie Kasuga, Takahiro Suga, Nariyasu Mano (Tohoku University, Tohoku University Hospital) LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY XEYBRNLFEZDVAW-YOLMOHOWSA-N CH$LINK: PUBCHEM CID:5283031 CH$LINK: ChemOnt CHEMONTID:0000513; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids AC$INSTRUMENT: TSQ Vantage, Thermo Scientific coupled to Nexera, Shimadzu -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ00056.txt b/MSSJ/MSBNK-MSSJ-MSJ00056.txt index c5110d45092..e405d018a78 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00056.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00056.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00056 -RECORD_TITLE: S-4-(2-oxo-butyl)glutathione; LC-ESI-QQ; MS2; Positive; [M+H]+ +RECORD_TITLE: S-4-(2-oxo-butyl)glutathione; LC-ESI-QQQ; MS2; Positive; [M+H]+ DATE: 2017.07.13 (Created 2016.12.12) AUTHORS: Horiyama S, Hatai M, Takahashi Y, Date S, Masujima T, Honda C, Ichikawa A, Yoshikawa N, Nakamura K, Kunitomo M, Takayama M, Mukogawa Women's University, Riken Quantitative Biology Center, OLABB, Yokohama City University. LICENSE: CC BY @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY YQMNCLHLUZGQDA-UWVGGRQHSA-N CH$LINK: PUBCHEM CID:134782263 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: Quattro Premier, Micromass. Alliance HT 2795,Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ00057.txt b/MSSJ/MSBNK-MSSJ-MSJ00057.txt index 3322065e09d..f34413fd80e 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00057.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00057.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00057 -RECORD_TITLE: L-gamma-Glutamyl-S-4-(2-hydroxybutyl)-L-cysteinyl-glycine; ESI-QQ; MS2; CE 10 eV; [M+H]+ +RECORD_TITLE: L-gamma-Glutamyl-S-4-(2-hydroxybutyl)-L-cysteinyl-glycine; ESI-QQQ; MS2; CE 10 eV; [M+H]+ DATE: 2018.12.26 AUTHORS: Horiyama S., Hatai M., Takahashi Y., Date S., Masujima T., Honda C., Ichikawa A., Yoshikawa N., Nakamura K., Kunitomo M., Takayama M., Mukogawa Women's University, Riken Quantitative Biology Center, OLABB, Yokohama City University. LICENSE: CC BY @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY SIAVLHRKFDCBGC-AGROOBSYSA-N CH$LINK: PUBCHEM CID:139292065 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: Quattro Premier, Micromass (USA) coupled to Alliance HT 2795, Waters (USA). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ00058.txt b/MSSJ/MSBNK-MSSJ-MSJ00058.txt index 6f80866deee..2b972abf1bf 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00058.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00058.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00058 -RECORD_TITLE: L-gamma-glutamyl-S-3-(1-oxobutyl)-L-cysteinyl-glycine; ESI-QQ; MS2; CE 10 eV; [M+H]+ +RECORD_TITLE: L-gamma-glutamyl-S-3-(1-oxobutyl)-L-cysteinyl-glycine; ESI-QQQ; MS2; CE 10 eV; [M+H]+ DATE: 2018.12.26 AUTHORS: Horiyama S., Hatai M., Takahashi Y., Date S., Masujima T., Honda C., Ichikawa A., Yoshikawa N., Nakamura K., Kunitomo M., Takayama M., Mukogawa Women's University, Riken Quantitative Biology Center, OLABB, Yokohama City University. LICENSE: CC BY @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY KEQTTYRWDJQWAB-AGROOBSYSA-N CH$LINK: PUBCHEM CID:122391324 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: Quattro Premier, Micromass (USA) coupled to Alliance HT 2795, Waters (USA). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ00073.txt b/MSSJ/MSBNK-MSSJ-MSJ00073.txt index d2c4fe10085..592314f7778 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00073.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00073.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00073 -RECORD_TITLE: L-gamma-Glutamyl-S-3-(1-hydroxybutyl)-L-cysteinyl-glycine; ESI-QQ; MS2; CE 10 eV; [M+H]+ +RECORD_TITLE: L-gamma-Glutamyl-S-3-(1-hydroxybutyl)-L-cysteinyl-glycine; ESI-QQQ; MS2; CE 10 eV; [M+H]+ DATE: 2018.12.26 AUTHORS: Horiyama S., Hatai M., Takahashi Y., Date S., Masujima T., Honda C., Ichikawa A., Yoshikawa N., Nakamura K., Kunitomo M., Takayama M., Mukogawa Women's University, Riken Quantitative Biology Center, OLABB, Yokohama City University. LICENSE: CC BY @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY SLDQURKLQRTWJV-AGROOBSYSA-N CH$LINK: PUBCHEM CID:139292069 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: Quattro Premier, Micromass (USA) coupled to Alliance HT 2795, Waters (USA). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ00074.txt b/MSSJ/MSBNK-MSSJ-MSJ00074.txt index 59a20d11a3f..37fe10dac44 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00074.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00074.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00074 -RECORD_TITLE: L-gamma-Glutamyl-S-3-(1-oxopropyl)-L-cysteinyl-glycine; ESI-QQ; MS2; CE 10 eV; [M+H]+ +RECORD_TITLE: L-gamma-Glutamyl-S-3-(1-oxopropyl)-L-cysteinyl-glycine; ESI-QQQ; MS2; CE 10 eV; [M+H]+ DATE: 2018.12.05 AUTHORS: Horiyama S., Hatai M., Takahashi Y., Date S., Masujima T., Honda C., Ichikawa A., Yoshikawa N., Nakamura K., Kunitomo M., Takayama M., Mukogawa Women's University, Riken Quantitative Biology Center, OLABB, Yokohama City University. LICENSE: CC BY @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY RDNSBKKJIQKSJT-IUCAKERBSA-N CH$LINK: PUBCHEM CID:21155477 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: Quattro Premier, Micromass (USA) coupled to Alliance HT 2795, Waters (USA). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ00075.txt b/MSSJ/MSBNK-MSSJ-MSJ00075.txt index 996f2f79bf9..fa5dc7ba527 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00075.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00075.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00075 -RECORD_TITLE: L-gamma-Glutamyl-S-3-(1-hydroxypropyl)-L-cysteinyl-glycine; ESI-QQ; MS2; CE 10 eV; [M+H]+ +RECORD_TITLE: L-gamma-Glutamyl-S-3-(1-hydroxypropyl)-L-cysteinyl-glycine; ESI-QQQ; MS2; CE 10 eV; [M+H]+ DATE: 2018.12.26 AUTHORS: Horiyama S., Hatai M., Takahashi Y., Date S., Masujima T., Honda C., Ichikawa A., Yoshikawa N., Nakamura K., Kunitomo M., Takayama M., Mukogawa Women's University, Riken Quantitative Biology Center, OLABB, Yokohama City University. LICENSE: CC BY @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY PWWFPJVDCXEMMZ-IUCAKERBSA-N CH$LINK: PUBCHEM CID:101685593 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: Quattro Premier, Micromass (USA) coupled to Alliance HT 2795, Waters (USA). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ00288.txt b/MSSJ/MSBNK-MSSJ-MSJ00288.txt index 2ed84843a8a..7b467c4a284 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00288.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00288.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00288 -RECORD_TITLE: Okaramine A; ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 15 eV +RECORD_TITLE: Okaramine A; ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 15 eV DATE: 2021.02.18 AUTHORS: Nakayasu M, Research Institute for Sustainable Humanosphere, Kyoto Univ [dtc]; Ihara M and Matsuda K, Department of Applied Biological Chemistry, Faculty of Agriculture, Kindai Univ [dtc]; Hayashi H, Osaka Pref Univ [dtc]; Sugiyama A, Research Institute for Sustainable Humanosphere, Kyoto Univ [dtc]. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XOYCJCSLHCTYSV-HTFKTHENSA-N CH$LINK: PUBCHEM CID:5387493 CH$LINK: ChemOnt CHEMONTID:0001733; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyrroloindoles AC$INSTRUMENT: ACQUITY UPLC H-Class/Xevo TQD (Waters, Milford, USA) -AC$INSTRUMENT_TYPE: ESI-QQ +AC$INSTRUMENT_TYPE: ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ00289.txt b/MSSJ/MSBNK-MSSJ-MSJ00289.txt index a95d01329de..2aa9acc705c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00289.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00289.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00289 -RECORD_TITLE: Okaramine A; ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 30 eV +RECORD_TITLE: Okaramine A; ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 30 eV DATE: 2021.02.18 AUTHORS: Nakayasu M, Research Institute for Sustainable Humanosphere, Kyoto Univ [dtc]; Ihara M and Matsuda K, Department of Applied Biological Chemistry, Faculty of Agriculture, Kindai Univ [dtc]; Hayashi H, Osaka Pref Univ [dtc]; Sugiyama A, Research Institute for Sustainable Humanosphere, Kyoto Univ [dtc]. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XOYCJCSLHCTYSV-HTFKTHENSA-N CH$LINK: PUBCHEM CID:5387493 CH$LINK: ChemOnt CHEMONTID:0001733; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyrroloindoles AC$INSTRUMENT: ACQUITY UPLC H-Class/Xevo TQD (Waters, Milford, USA) -AC$INSTRUMENT_TYPE: ESI-QQ +AC$INSTRUMENT_TYPE: ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ00291.txt b/MSSJ/MSBNK-MSSJ-MSJ00291.txt index 5008d18bd52..f1ebd83111d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00291.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00291.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00291 -RECORD_TITLE: Okaramine B; ESI-QQ; MS2; POSITIVE; [M+H]+: CID; 15 eV +RECORD_TITLE: Okaramine B; ESI-QQQ; MS2; POSITIVE; [M+H]+: CID; 15 eV DATE: 2021.02.18 AUTHORS: Nakayasu M, Research Institute for Sustainable Humanosphere, Kyoto Univ [dtc]; Ihara M and Matsuda K, Department of Applied Biological Chemistry, Faculty of Agriculture, Kindai Univ [dtc]; Sugiyama A, Research Institute for Sustainable Humanosphere, Kyoto Univ [dtc]. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PNJDFZNVNWQTFD-SPCWNREDSA-N CH$LINK: PUBCHEM CID:14312904 CH$LINK: ChemOnt CHEMONTID:0001733; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyrroloindoles AC$INSTRUMENT: ACQUITY UPLC H-Class/Xevo TQD (Waters, Milford, USA) -AC$INSTRUMENT_TYPE: ESI-QQ +AC$INSTRUMENT_TYPE: ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ00292.txt b/MSSJ/MSBNK-MSSJ-MSJ00292.txt index 2687b84a7bb..dbc1eb76381 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00292.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00292.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00292 -RECORD_TITLE: Okaramine B; ESI-QQ; MS2; POSITIVE; [M+H]+: CID; 30 eV +RECORD_TITLE: Okaramine B; ESI-QQQ; MS2; POSITIVE; [M+H]+: CID; 30 eV DATE: 2021.02.18 AUTHORS: Nakayasu M, Research Institute for Sustainable Humanosphere, Kyoto Univ [dtc]; Ihara M and Matsuda K, Department of Applied Biological Chemistry, Faculty of Agriculture, Kindai Univ [dtc]; Sugiyama A, Research Institute for Sustainable Humanosphere, Kyoto Univ [dtc]. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PNJDFZNVNWQTFD-SPCWNREDSA-N CH$LINK: PUBCHEM CID:14312904 CH$LINK: ChemOnt CHEMONTID:0001733; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyrroloindoles AC$INSTRUMENT: ACQUITY UPLC H-Class/Xevo TQD (Waters, Milford, USA) -AC$INSTRUMENT_TYPE: ESI-QQ +AC$INSTRUMENT_TYPE: ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ00294.txt b/MSSJ/MSBNK-MSSJ-MSJ00294.txt index be88178d78e..e625b5f83ef 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00294.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00294.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00294 -RECORD_TITLE: Okaramine C; ESI-QQ; MS2; POSITIVE; [M+H]+ CID; 15 eV +RECORD_TITLE: Okaramine C; ESI-QQQ; MS2; POSITIVE; [M+H]+ CID; 15 eV DATE: 2021.02.18 AUTHORS: Nakayasu M, Research Institute for Sustainable Humanosphere, Kyoto Univ [dtc]; Ihara M and Matsuda K, Department of Applied Biological Chemistry, Faculty of Agriculture, Kindai Univ [dtc]; Hayashi H, Osaka Pref Univ [dtc]; Sugiyama A, Research Institute for Sustainable Humanosphere, Kyoto Univ [dtc]. LICENSE: CC BY @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY YWLAQSLUIQTZON-RECIGGTHSA-N CH$LINK: PUBCHEM CID:11295413 CH$LINK: ChemOnt CHEMONTID:0001733; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyrroloindoles AC$INSTRUMENT: ACQUITY UPLC H-Class/Xevo TQD (Waters, Milford, USA) -AC$INSTRUMENT_TYPE: ESI-QQ +AC$INSTRUMENT_TYPE: ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ00295.txt b/MSSJ/MSBNK-MSSJ-MSJ00295.txt index 93ca2fde143..3403bf1afe6 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00295.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00295.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00295 -RECORD_TITLE: Okaramine C; ESI-QQ; MS2; POSITIVE; [M+H]+ CID; 30 eV +RECORD_TITLE: Okaramine C; ESI-QQQ; MS2; POSITIVE; [M+H]+ CID; 30 eV DATE: 2021.02.18 AUTHORS: Nakayasu M, Research Institute for Sustainable Humanosphere, Kyoto Univ [dtc]; Ihara M and Matsuda K, Department of Applied Biological Chemistry, Faculty of Agriculture, Kindai Univ [dtc]; Hayashi H, Osaka Pref Univ [dtc]; Sugiyama A, Research Institute for Sustainable Humanosphere, Kyoto Univ [dtc]. LICENSE: CC BY @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY YWLAQSLUIQTZON-RECIGGTHSA-N CH$LINK: PUBCHEM CID:11295413 CH$LINK: ChemOnt CHEMONTID:0001733; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Pyrroloindoles AC$INSTRUMENT: ACQUITY UPLC H-Class/Xevo TQD (Waters, Milford, USA) -AC$INSTRUMENT_TYPE: ESI-QQ +AC$INSTRUMENT_TYPE: ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ00483.txt b/MSSJ/MSBNK-MSSJ-MSJ00483.txt index 461101e2a5b..a3f5c08eb0e 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00483.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00483.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00483 -RECORD_TITLE: Tyramine; ESI-QQ; MS; POSITIVE +RECORD_TITLE: Tyramine; ESI-QQQ; MS; POSITIVE DATE: 2021.01.27 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5610 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) -AC$INSTRUMENT_TYPE: ESI-QQ +AC$INSTRUMENT_TYPE: ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ00484.txt b/MSSJ/MSBNK-MSSJ-MSJ00484.txt index a1af72bcf8f..c9890b51557 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00484.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00484.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00484 -RECORD_TITLE: Tyramine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 10 V +RECORD_TITLE: Tyramine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 10 V DATE: 2021.02.18 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5610 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00485.txt b/MSSJ/MSBNK-MSSJ-MSJ00485.txt index c3e3189466b..a05cb6af86d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00485.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00485.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00485 -RECORD_TITLE: Tyramine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 20 V +RECORD_TITLE: Tyramine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 20 V DATE: 2020.12.25 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5610 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00486.txt b/MSSJ/MSBNK-MSSJ-MSJ00486.txt index d29d1eb90a7..6aab03009c8 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00486.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00486.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00486 -RECORD_TITLE: Tyramine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 30 V +RECORD_TITLE: Tyramine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 30 V DATE: 2021.01.24 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5610 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00487.txt b/MSSJ/MSBNK-MSSJ-MSJ00487.txt index 82b96e7d3a2..1bf82f1ac60 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00487.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00487.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00487 -RECORD_TITLE: Tyramine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 40 V +RECORD_TITLE: Tyramine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 40 V DATE: 2021.03.16 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5610 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00488.txt b/MSSJ/MSBNK-MSSJ-MSJ00488.txt index bc188b4392c..eb10157abb8 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00488.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00488.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00488 -RECORD_TITLE: Tyramine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V +RECORD_TITLE: Tyramine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V DATE: 2020.12.27 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5610 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00489.txt b/MSSJ/MSBNK-MSSJ-MSJ00489.txt index 6dbb2fdd78f..c6779f2e151 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00489.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00489.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00489 -RECORD_TITLE: Tyramine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V +RECORD_TITLE: Tyramine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V DATE: 2021.01.27 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5610 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00490.txt b/MSSJ/MSBNK-MSSJ-MSJ00490.txt index 1caeae2bc6f..a7396da1a54 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00490.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00490.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00490 -RECORD_TITLE: Tyramine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V +RECORD_TITLE: Tyramine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V DATE: 2021.02.19 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5610 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00491.txt b/MSSJ/MSBNK-MSSJ-MSJ00491.txt index b34072cad1e..b78dbfeeac0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00491.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00491.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00491 -RECORD_TITLE: Tyramine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V +RECORD_TITLE: Tyramine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V DATE: 2020.12.25 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5610 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00492.txt b/MSSJ/MSBNK-MSSJ-MSJ00492.txt index e6855ab0155..3ea4f0bb85b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00492.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00492.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00492 -RECORD_TITLE: 2-(4-Methoxyphenyl)ethylamine; ESI-QQ; MS; POSITIVE +RECORD_TITLE: 2-(4-Methoxyphenyl)ethylamine; ESI-QQQ; MS; POSITIVE DATE: 2021.01.24 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY LTPVSOCPYWDIFU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4657 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) -AC$INSTRUMENT_TYPE: ESI-QQ +AC$INSTRUMENT_TYPE: ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ00493.txt b/MSSJ/MSBNK-MSSJ-MSJ00493.txt index e6a6d85db77..3daeb9a40b2 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00493.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00493.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00493 -RECORD_TITLE: 2-(4-Methoxyphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 10 V +RECORD_TITLE: 2-(4-Methoxyphenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 10 V DATE: 2021.03.24 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY LTPVSOCPYWDIFU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4657 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00494.txt b/MSSJ/MSBNK-MSSJ-MSJ00494.txt index 5bfc1edbedc..cae62bcd97b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00494.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00494.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00494 -RECORD_TITLE: 2-(4-Methoxyphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 20 V +RECORD_TITLE: 2-(4-Methoxyphenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 20 V DATE: 2020.12.27 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY LTPVSOCPYWDIFU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4657 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00495.txt b/MSSJ/MSBNK-MSSJ-MSJ00495.txt index b793987ac3b..6110e7c4341 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00495.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00495.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00495 -RECORD_TITLE: 2-(4-Methoxyphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 30 V +RECORD_TITLE: 2-(4-Methoxyphenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 30 V DATE: 2021.01.27 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY LTPVSOCPYWDIFU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4657 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00496.txt b/MSSJ/MSBNK-MSSJ-MSJ00496.txt index 55ae193f235..f251e47fda0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00496.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00496.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00496 -RECORD_TITLE: 2-(4-Methoxyphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 40 V +RECORD_TITLE: 2-(4-Methoxyphenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 40 V DATE: 2021.02.19 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY LTPVSOCPYWDIFU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4657 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00497.txt b/MSSJ/MSBNK-MSSJ-MSJ00497.txt index 13de5b278e5..bf738c4ab6a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00497.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00497.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00497 -RECORD_TITLE: 2-(4-Methoxyphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V +RECORD_TITLE: 2-(4-Methoxyphenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V DATE: 2020.12.25 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY LTPVSOCPYWDIFU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4657 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00498.txt b/MSSJ/MSBNK-MSSJ-MSJ00498.txt index 78aaa08e225..e7affaf8582 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00498.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00498.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00498 -RECORD_TITLE: 2-(4-Methoxyphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V +RECORD_TITLE: 2-(4-Methoxyphenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V DATE: 2021.01.24 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY LTPVSOCPYWDIFU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4657 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00499.txt b/MSSJ/MSBNK-MSSJ-MSJ00499.txt index 091431a23ba..ff3db4eaa50 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00499.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00499.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00499 -RECORD_TITLE: 2-(4-Methoxyphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V +RECORD_TITLE: 2-(4-Methoxyphenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V DATE: 2021.03.23 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY LTPVSOCPYWDIFU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4657 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00500.txt b/MSSJ/MSBNK-MSSJ-MSJ00500.txt index 056112b17bd..b93c747c6ee 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00500.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00500.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00500 -RECORD_TITLE: 2-(4-Methoxyphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V +RECORD_TITLE: 2-(4-Methoxyphenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V DATE: 2020.12.27 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY LTPVSOCPYWDIFU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4657 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00501.txt b/MSSJ/MSBNK-MSSJ-MSJ00501.txt index b1e6183ad02..b3c9d7d563f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00501.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00501 -RECORD_TITLE: 2-(4-Methylphenyl)ethylamine; ESI-QQ; MS; POSITIVE +RECORD_TITLE: 2-(4-Methylphenyl)ethylamine; ESI-QQQ; MS; POSITIVE DATE: 2021.01.27 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY VKJXAQYPOTYDLO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:76751 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) -AC$INSTRUMENT_TYPE: ESI-QQ +AC$INSTRUMENT_TYPE: ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ00502.txt b/MSSJ/MSBNK-MSSJ-MSJ00502.txt index eac15d34841..94d4b410cfd 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00502.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00502 -RECORD_TITLE: 2-(4-Methylphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 10 V +RECORD_TITLE: 2-(4-Methylphenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 10 V DATE: 2021.02.26 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VKJXAQYPOTYDLO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:76751 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00503.txt b/MSSJ/MSBNK-MSSJ-MSJ00503.txt index eeca52d61bb..e6ffcc0eb7a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00503.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00503 -RECORD_TITLE: 2-(4-Methylphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 20 V +RECORD_TITLE: 2-(4-Methylphenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 20 V DATE: 2020.12.25 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VKJXAQYPOTYDLO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:76751 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00504.txt b/MSSJ/MSBNK-MSSJ-MSJ00504.txt index baf48a06e6c..8b059cc6518 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00504.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00504 -RECORD_TITLE: 2-(4-Methylphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 30 V +RECORD_TITLE: 2-(4-Methylphenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 30 V DATE: 2021.01.30 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VKJXAQYPOTYDLO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:76751 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00505.txt b/MSSJ/MSBNK-MSSJ-MSJ00505.txt index b1e3e2e478b..effe2389b78 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00505.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00505 -RECORD_TITLE: 2-(4-Methylphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V +RECORD_TITLE: 2-(4-Methylphenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V DATE: 2021.03.16 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VKJXAQYPOTYDLO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:76751 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00506.txt b/MSSJ/MSBNK-MSSJ-MSJ00506.txt index d505530503a..20719d627a2 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00506.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00506 -RECORD_TITLE: 2-(4-Methylphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V +RECORD_TITLE: 2-(4-Methylphenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V DATE: 2020.12.24 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY VKJXAQYPOTYDLO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:76751 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00507.txt b/MSSJ/MSBNK-MSSJ-MSJ00507.txt index 1fe4b3ad7be..88678a1c0ec 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00507.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00507 -RECORD_TITLE: 2-(4-Methylphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V +RECORD_TITLE: 2-(4-Methylphenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V DATE: 2020.03.18 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VKJXAQYPOTYDLO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:76751 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00508.txt b/MSSJ/MSBNK-MSSJ-MSJ00508.txt index 678284e85b6..8c24c88271c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00508.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00508 -RECORD_TITLE: 2-(4-Methylphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V +RECORD_TITLE: 2-(4-Methylphenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V DATE: 2021.02.19 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VKJXAQYPOTYDLO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:76751 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00510.txt b/MSSJ/MSBNK-MSSJ-MSJ00510.txt index 72f78bd68b1..e177efda998 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00510.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00510.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00510 -RECORD_TITLE: 2-(4-Fluorophenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 10 V +RECORD_TITLE: 2-(4-Fluorophenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 10 V DATE: 2021.01.30 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CKLFJWXRWIQYOC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4653 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00511.txt b/MSSJ/MSBNK-MSSJ-MSJ00511.txt index 560ffeaf161..565c676870d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00511.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00511.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00511 -RECORD_TITLE: 2-(4-Fluorophenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 20 V +RECORD_TITLE: 2-(4-Fluorophenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 20 V DATE: 2021.03.25 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CKLFJWXRWIQYOC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4653 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00512.txt b/MSSJ/MSBNK-MSSJ-MSJ00512.txt index a446dcd3ca3..ad659e17500 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00512.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00512.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00512 -RECORD_TITLE: 2-(4-Fluorophenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 30 V +RECORD_TITLE: 2-(4-Fluorophenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 30 V DATE: 2020.12.27 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY CKLFJWXRWIQYOC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4653 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00513.txt b/MSSJ/MSBNK-MSSJ-MSJ00513.txt index 00c3458c61d..442696ece99 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00513.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00513.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00513 -RECORD_TITLE: 2-(4-Fluorophenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 40 V +RECORD_TITLE: 2-(4-Fluorophenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 40 V DATE: 2021.01.28 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CKLFJWXRWIQYOC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4653 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00514.txt b/MSSJ/MSBNK-MSSJ-MSJ00514.txt index fbce8065e08..e34ac5c18ee 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00514.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00514.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00514 -RECORD_TITLE: 2-(4-Fluorophenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V +RECORD_TITLE: 2-(4-Fluorophenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V DATE: 2021.02.27 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CKLFJWXRWIQYOC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4653 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00515.txt b/MSSJ/MSBNK-MSSJ-MSJ00515.txt index 997cb22f1b7..302e9dd8993 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00515.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00515.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00515 -RECORD_TITLE: 2-(4-Fluorophenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V +RECORD_TITLE: 2-(4-Fluorophenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V DATE: 2020.12.25 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CKLFJWXRWIQYOC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4653 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00516.txt b/MSSJ/MSBNK-MSSJ-MSJ00516.txt index 9c87253d126..5bfb112149d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00516.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00516.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00516 -RECORD_TITLE: 2-(4-Fluorophenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V +RECORD_TITLE: 2-(4-Fluorophenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V DATE: 2021.01.30 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CKLFJWXRWIQYOC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4653 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00517.txt b/MSSJ/MSBNK-MSSJ-MSJ00517.txt index 88ba125a6aa..f34431f37cb 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00517.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00517.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00517 -RECORD_TITLE: 2-(4-Fluorophenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V +RECORD_TITLE: 2-(4-Fluorophenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V DATE: 2021.03.23 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CKLFJWXRWIQYOC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4653 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00518.txt b/MSSJ/MSBNK-MSSJ-MSJ00518.txt index 05fd5e5d54f..19c37419560 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00518.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00518.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00518 -RECORD_TITLE: 2-(4-Chlorophenyl)ethylamine; ESI-QQ; MS; POSITIVE +RECORD_TITLE: 2-(4-Chlorophenyl)ethylamine; ESI-QQQ; MS; POSITIVE DATE: 2020.12.14 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY SRXFXCKTIGELTI-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:67430 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) -AC$INSTRUMENT_TYPE: ESI-QQ +AC$INSTRUMENT_TYPE: ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ00519.txt b/MSSJ/MSBNK-MSSJ-MSJ00519.txt index e4415d3e037..5696973febc 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00519.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00519.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00519 -RECORD_TITLE: 2-(4-Chlorophenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 10 V +RECORD_TITLE: 2-(4-Chlorophenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 10 V DATE: 2021.01.28 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SRXFXCKTIGELTI-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:67430 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00520.txt b/MSSJ/MSBNK-MSSJ-MSJ00520.txt index 517c4c20e49..dc857c98836 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00520.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00520.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00520 -RECORD_TITLE: 2-(4-Chlorophenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 20 V +RECORD_TITLE: 2-(4-Chlorophenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 20 V DATE: 2021.02.26 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SRXFXCKTIGELTI-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:67430 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00521.txt b/MSSJ/MSBNK-MSSJ-MSJ00521.txt index 04f7bbf3fdd..3bbbd94a317 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00521.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00521.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00521 -RECORD_TITLE: 2-(4-Chlorophenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 30 V +RECORD_TITLE: 2-(4-Chlorophenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 30 V DATE: 2020.12.25 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SRXFXCKTIGELTI-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:67430 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00522.txt b/MSSJ/MSBNK-MSSJ-MSJ00522.txt index 4f5d14592f4..5ad4110c236 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00522.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00522.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00522 -RECORD_TITLE: 2-(4-Chlorophenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 40 V +RECORD_TITLE: 2-(4-Chlorophenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 40 V DATE: 2021.02.01 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SRXFXCKTIGELTI-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:67430 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00523.txt b/MSSJ/MSBNK-MSSJ-MSJ00523.txt index eaeb9f196a6..0b0e659b2e1 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00523.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00523.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00523 -RECORD_TITLE: 2-(4-Chlorophenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V +RECORD_TITLE: 2-(4-Chlorophenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V DATE: 2020.12.25 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SRXFXCKTIGELTI-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:67430 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00524.txt b/MSSJ/MSBNK-MSSJ-MSJ00524.txt index c67073c1cd2..00dad40356d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00524.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00524.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00524 -RECORD_TITLE: 2-(4-Chlorophenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V +RECORD_TITLE: 2-(4-Chlorophenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V DATE: 2020.12.14 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY SRXFXCKTIGELTI-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:67430 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00525.txt b/MSSJ/MSBNK-MSSJ-MSJ00525.txt index 481ac7b75b5..86d0a4018c9 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00525.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00525.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00525 -RECORD_TITLE: 2-(4-Chlorophenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V +RECORD_TITLE: 2-(4-Chlorophenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V DATE: 2021.01.28 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SRXFXCKTIGELTI-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:67430 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00526.txt b/MSSJ/MSBNK-MSSJ-MSJ00526.txt index 51e56eb95aa..0e013df02dc 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00526.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00526.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00526 -RECORD_TITLE: 2-(4-Chlorophenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V +RECORD_TITLE: 2-(4-Chlorophenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V DATE: 2021.02.26 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SRXFXCKTIGELTI-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:67430 CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00527.txt b/MSSJ/MSBNK-MSSJ-MSJ00527.txt index a6689ae280d..0ae605553e0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00527.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00527.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00527 -RECORD_TITLE: 2-(4-Trifluoromethylphenyl)ethylamine; ESI-QQ; MS; POSITIVE +RECORD_TITLE: 2-(4-Trifluoromethylphenyl)ethylamine; ESI-QQQ; MS; POSITIVE DATE: 2020.12.25 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY HMFOBPNVAAAACP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1988106 CH$LINK: ChemOnt CHEMONTID:0004551; Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) -AC$INSTRUMENT_TYPE: ESI-QQ +AC$INSTRUMENT_TYPE: ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ00528.txt b/MSSJ/MSBNK-MSSJ-MSJ00528.txt index 1855fd296cb..64dcd2068dd 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00528.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00528.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00528 -RECORD_TITLE: 2-(4-Trifluoromethylphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 10 V +RECORD_TITLE: 2-(4-Trifluoromethylphenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 10 V DATE: 2021.02.01 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HMFOBPNVAAAACP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1988106 CH$LINK: ChemOnt CHEMONTID:0004551; Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00529.txt b/MSSJ/MSBNK-MSSJ-MSJ00529.txt index a6047da95cd..e3e50ff630c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00529.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00529.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00529 -RECORD_TITLE: 2-(4-Trifluoromethylphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 20 V +RECORD_TITLE: 2-(4-Trifluoromethylphenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 20 V DATE: 2021.03.25 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HMFOBPNVAAAACP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1988106 CH$LINK: ChemOnt CHEMONTID:0004551; Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00530.txt b/MSSJ/MSBNK-MSSJ-MSJ00530.txt index d6d83d99969..cf780a743e8 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00530.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00530.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00530 -RECORD_TITLE: 2-(4-Trifluoromethylphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 30 V +RECORD_TITLE: 2-(4-Trifluoromethylphenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 30 V DATE: 2020.12.14 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HMFOBPNVAAAACP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1988106 CH$LINK: ChemOnt CHEMONTID:0004551; Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00531.txt b/MSSJ/MSBNK-MSSJ-MSJ00531.txt index f91c92262bb..149a7f5b40b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00531.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00531.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00531 -RECORD_TITLE: 2-(4-Trifluoromethylphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 40 V +RECORD_TITLE: 2-(4-Trifluoromethylphenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 40 V DATE: 2021.01.29 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HMFOBPNVAAAACP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1988106 CH$LINK: ChemOnt CHEMONTID:0004551; Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00532.txt b/MSSJ/MSBNK-MSSJ-MSJ00532.txt index 4367eba0dae..909ed5c4f7d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00532.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00532.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00532 -RECORD_TITLE: 2-(4-Trifluoromethylphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 50 V +RECORD_TITLE: 2-(4-Trifluoromethylphenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 50 V DATE: 2021.02.28 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HMFOBPNVAAAACP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1988106 CH$LINK: ChemOnt CHEMONTID:0004551; Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00533.txt b/MSSJ/MSBNK-MSSJ-MSJ00533.txt index af3e20aff5d..e6888c67065 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00533.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00533.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00533 -RECORD_TITLE: 2-(4-Trifluoromethylphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V +RECORD_TITLE: 2-(4-Trifluoromethylphenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V DATE: 2020.12.25 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HMFOBPNVAAAACP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1988106 CH$LINK: ChemOnt CHEMONTID:0004551; Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00534.txt b/MSSJ/MSBNK-MSSJ-MSJ00534.txt index 10cd3bc8681..9609e372de0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00534.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00534.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00534 -RECORD_TITLE: 2-(4-Trifluoromethylphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V +RECORD_TITLE: 2-(4-Trifluoromethylphenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V DATE: 2021.02.06 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HMFOBPNVAAAACP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1988106 CH$LINK: ChemOnt CHEMONTID:0004551; Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00535.txt b/MSSJ/MSBNK-MSSJ-MSJ00535.txt index 5da85377f3f..5f61be6a40b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00535.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00535.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00535 -RECORD_TITLE: 2-(4-Trifluoromethylphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V +RECORD_TITLE: 2-(4-Trifluoromethylphenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V DATE: 2021.03.23 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HMFOBPNVAAAACP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1988106 CH$LINK: ChemOnt CHEMONTID:0004551; Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00536.txt b/MSSJ/MSBNK-MSSJ-MSJ00536.txt index afdb8a7d830..3805798465f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00536.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00536.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00536 -RECORD_TITLE: 2-(4-Trifluoromethylphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V +RECORD_TITLE: 2-(4-Trifluoromethylphenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V DATE: 2020.12.14 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HMFOBPNVAAAACP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1988106 CH$LINK: ChemOnt CHEMONTID:0004551; Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00537.txt b/MSSJ/MSBNK-MSSJ-MSJ00537.txt index bc0b38c4b07..2bd5a781bfd 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00537.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00537.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00537 -RECORD_TITLE: 2-(4-Trifluoromethylphenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 50 V +RECORD_TITLE: 2-(4-Trifluoromethylphenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 50 V DATE: 2021.01.29 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HMFOBPNVAAAACP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1988106 CH$LINK: ChemOnt CHEMONTID:0004551; Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00538.txt b/MSSJ/MSBNK-MSSJ-MSJ00538.txt index 5e9944fd849..8ddd28795f0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00538.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00538.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00538 -RECORD_TITLE: 2-(4-Nitrophenyl)ethylamine; ESI-QQ; MS; POSITIVE +RECORD_TITLE: 2-(4-Nitrophenyl)ethylamine; ESI-QQQ; MS; POSITIVE DATE: 2021.02.26 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY IOXOZOPLBFXYLM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:95153 CH$LINK: ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) -AC$INSTRUMENT_TYPE: ESI-QQ +AC$INSTRUMENT_TYPE: ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ00539.txt b/MSSJ/MSBNK-MSSJ-MSJ00539.txt index a36a406f0f3..d789c4b5e23 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00539.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00539.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00539 -RECORD_TITLE: 2-(4-Nitrophenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 10 V +RECORD_TITLE: 2-(4-Nitrophenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 10 V DATE: 2020.12.25 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IOXOZOPLBFXYLM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:95153 CH$LINK: ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00540.txt b/MSSJ/MSBNK-MSSJ-MSJ00540.txt index 67f7ed535ab..810d88fd11a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00540.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00540.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00540 -RECORD_TITLE: 2-(4-Nitrophenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 20 V +RECORD_TITLE: 2-(4-Nitrophenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 20 V DATE: 2021.02.06 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IOXOZOPLBFXYLM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:95153 CH$LINK: ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00541.txt b/MSSJ/MSBNK-MSSJ-MSJ00541.txt index 2d3aff18a4f..e35feae5a4b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00541.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00541.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00541 -RECORD_TITLE: 2-(4-Nitrophenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 30 V +RECORD_TITLE: 2-(4-Nitrophenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 30 V DATE: 2020.12.25 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IOXOZOPLBFXYLM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:95153 CH$LINK: ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00542.txt b/MSSJ/MSBNK-MSSJ-MSJ00542.txt index 8427d6707e5..3b5ff884482 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00542.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00542.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00542 -RECORD_TITLE: 2-(4-Nitrophenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 40 V +RECORD_TITLE: 2-(4-Nitrophenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 40 V DATE: 2020.12.14 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY IOXOZOPLBFXYLM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:95153 CH$LINK: ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00543.txt b/MSSJ/MSBNK-MSSJ-MSJ00543.txt index 8643b4d0a50..1fb631cfccd 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00543.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00543.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00543 -RECORD_TITLE: 2-(4-Nitrophenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H]+; CID; 50 V +RECORD_TITLE: 2-(4-Nitrophenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; 50 V DATE: 2021.01.29 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IOXOZOPLBFXYLM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:95153 CH$LINK: ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00544.txt b/MSSJ/MSBNK-MSSJ-MSJ00544.txt index e6e40681341..838db152f45 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00544.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00544.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00544 -RECORD_TITLE: 2-(4-Nitrophenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V +RECORD_TITLE: 2-(4-Nitrophenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 10 V DATE: 2021.02.26 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IOXOZOPLBFXYLM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:95153 CH$LINK: ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00545.txt b/MSSJ/MSBNK-MSSJ-MSJ00545.txt index e344c5823a4..ff4caa15401 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00545.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00545.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00545 -RECORD_TITLE: 2-(4-Nitrophenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V +RECORD_TITLE: 2-(4-Nitrophenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 20 V DATE: 2020.12.25 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IOXOZOPLBFXYLM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:95153 CH$LINK: ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00546.txt b/MSSJ/MSBNK-MSSJ-MSJ00546.txt index cb5514cf4a1..4fc8943e736 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00546.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00546.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00546 -RECORD_TITLE: 2-(4-Nitrophenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V +RECORD_TITLE: 2-(4-Nitrophenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 30 V DATE: 2021.02.06 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IOXOZOPLBFXYLM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:95153 CH$LINK: ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00547.txt b/MSSJ/MSBNK-MSSJ-MSJ00547.txt index d2678a99640..dc4878d79f4 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00547.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00547.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00547 -RECORD_TITLE: 2-(4-Nitrophenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V +RECORD_TITLE: 2-(4-Nitrophenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 40 V DATE: 2021.03.25 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IOXOZOPLBFXYLM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:95153 CH$LINK: ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00548.txt b/MSSJ/MSBNK-MSSJ-MSJ00548.txt index 8ffd340ea3d..669c421e727 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00548.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00548.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00548 -RECORD_TITLE: 2-(4-Nitrophenyl)ethylamine; LC-ESI-QQ; MS2; POSITIVE; [M+H-NH3]+; CID; 50 V +RECORD_TITLE: 2-(4-Nitrophenyl)ethylamine; LC-ESI-QQQ; MS2; POSITIVE; [M+H-NH3]+; CID; 50 V DATE: 2020.12.14 AUTHORS: Daiki Asakawa, National Institute of Advanced Industrial Science and Technology, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY IOXOZOPLBFXYLM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:95153 CH$LINK: ChemOnt CHEMONTID:0000036; Organic compounds; Benzenoids; Benzene and substituted derivatives; Nitrobenzenes AC$INSTRUMENT: Xevo TQS micro (Waters, MA, USA) coupled to ACQUITY UPLC H-Class (Waters, MA, USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00719.txt b/MSSJ/MSBNK-MSSJ-MSJ00719.txt index fc258d56560..e05e1773215 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00719.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00719.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00719 -RECORD_TITLE: Citric acid; GC-EI-QQ; MS2; POSITIVE; CID; 15 V; 4 TMS-derivative; [M-15]+ +RECORD_TITLE: Citric acid; GC-EI-QQQ; MS2; POSITIVE; CID; 15 V; 4 TMS-derivative; [M-15]+ DATE: 2021.10.12 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY KRKNYBCHXYNGOX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:311 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00720.txt b/MSSJ/MSBNK-MSSJ-MSJ00720.txt index 7c312f86f1b..c44440ff6d2 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00720.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00720.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00720 -RECORD_TITLE: Citric acid-[1,2,3,4,5,6-13C6]; GC-EI-QQ; MS2; POSITIVE; CID; 4 TMS-derivative; [M-15]+ +RECORD_TITLE: Citric acid-[1,2,3,4,5,6-13C6]; GC-EI-QQQ; MS2; POSITIVE; CID; 4 TMS-derivative; [M-15]+ DATE: 2021.09.08 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KRKNYBCHXYNGOX-IDEBNGHGSA-N CH$LINK: PUBCHEM CID:16217547 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00721.txt b/MSSJ/MSBNK-MSSJ-MSJ00721.txt index 074e733ac6e..d94901a48ca 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00721.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00721.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00721 -RECORD_TITLE: Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 15 V; 4 TMS-derivative; [M-117]+ +RECORD_TITLE: Citric acid; GC-EI-QQQ; MS2; POSITIVE; CID 15 V; 4 TMS-derivative; [M-117]+ DATE: 2021.09.22 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY KRKNYBCHXYNGOX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:311 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00722.txt b/MSSJ/MSBNK-MSSJ-MSJ00722.txt index fb265255ced..aaffe3f56b8 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00722.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00722.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00722 -RECORD_TITLE: Citric acid-[1,2,3,4,5,6-13C6]; GC-EI-QQ; MS2; POSITIVE; CID 15 V; 4 TMS-derivative; [M-118]+ +RECORD_TITLE: Citric acid-[1,2,3,4,5,6-13C6]; GC-EI-QQQ; MS2; POSITIVE; CID 15 V; 4 TMS-derivative; [M-118]+ DATE: 2021.10.12 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KRKNYBCHXYNGOX-IDEBNGHGSA-N CH$LINK: PUBCHEM CID:16217547 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00723.txt b/MSSJ/MSBNK-MSSJ-MSJ00723.txt index 75d9fccb775..f12251ffcce 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00723.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00723.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00723 -RECORD_TITLE: Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 15 V; 4 TMS-derivative; [M-207]+ +RECORD_TITLE: Citric acid; GC-EI-QQQ; MS2; POSITIVE; CID 15 V; 4 TMS-derivative; [M-207]+ DATE: 2021.10.12 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY KRKNYBCHXYNGOX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:311 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00724.txt b/MSSJ/MSBNK-MSSJ-MSJ00724.txt index 983ec712574..7c70d020400 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00724.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00724.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00724 -RECORD_TITLE: Citric acid-[1,2,3,4,5,6-13C6]; GC-EI-QQ; MS2; POSITIVE; CID 15 V; 4 TMS-derivative; [M-208]+ +RECORD_TITLE: Citric acid-[1,2,3,4,5,6-13C6]; GC-EI-QQQ; MS2; POSITIVE; CID 15 V; 4 TMS-derivative; [M-208]+ DATE: 2021.09.13 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KRKNYBCHXYNGOX-IDEBNGHGSA-N CH$LINK: PUBCHEM CID:16217547 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00725.txt b/MSSJ/MSBNK-MSSJ-MSJ00725.txt index 2282cf986e0..6ad0da94950 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00725.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00725.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00725 -RECORD_TITLE: alpha-Ketoglutaric acid; GC-EI-QQ; MS2; positive; CID 5 V; MEOX,2TMS-derivative; [M-31]+ +RECORD_TITLE: alpha-Ketoglutaric acid; GC-EI-QQQ; MS2; positive; CID 5 V; MEOX,2TMS-derivative; [M-31]+ DATE: 2021.09.22 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY KPGXRSRHYNQIFN-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:51 CH$LINK: ChemOnt CHEMONTID:0001115; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Gamma-keto acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00726.txt b/MSSJ/MSBNK-MSSJ-MSJ00726.txt index 5f1e74511f7..e2af2c4e8a9 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00726.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00726.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00726 -RECORD_TITLE: alpha-Ketoglutaric acid-[1,2,3,4-13C4]; GC-EI-QQ; MS2; positive; CID 5 V; MEOX,2TMS-derivative; [M-31]+ +RECORD_TITLE: alpha-Ketoglutaric acid-[1,2,3,4-13C4]; GC-EI-QQQ; MS2; positive; CID 5 V; MEOX,2TMS-derivative; [M-31]+ DATE: 2021.10.12 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KPGXRSRHYNQIFN-SAXDBNRNSA-N CH$LINK: PUBCHEM CID:91971603 CH$LINK: ChemOnt CHEMONTID:0001115; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Gamma-keto acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00727.txt b/MSSJ/MSBNK-MSSJ-MSJ00727.txt index 08f90012885..e65afc952a0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00727.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00727.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00727 -RECORD_TITLE: alpha-Ketoglutaric acid-[1,2,3,4,5-13C5]; GC-EI-QQ; MS2; positive; CID 5 V; MEOX,2TMS-derivative; [M-31]+ +RECORD_TITLE: alpha-Ketoglutaric acid-[1,2,3,4,5-13C5]; GC-EI-QQQ; MS2; positive; CID 5 V; MEOX,2TMS-derivative; [M-31]+ DATE: 2021.10.13 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KPGXRSRHYNQIFN-CVMUNTFWSA-N CH$LINK: PUBCHEM CID:131801545 CH$LINK: ChemOnt CHEMONTID:0001115; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Gamma-keto acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00728.txt b/MSSJ/MSBNK-MSSJ-MSJ00728.txt index 69b4b00a701..275da0d1c03 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00728.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00728.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00728 -RECORD_TITLE: Succinic acid; GC-EI-QQ; MS2; POSITIVE; CID 5 V; 2 TMS-derivative; [M-15]+ +RECORD_TITLE: Succinic acid; GC-EI-QQQ; MS2; POSITIVE; CID 5 V; 2 TMS-derivative; [M-15]+ DATE: 2021.10.13 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY KDYFGRWQOYBRFD-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1110 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00729.txt b/MSSJ/MSBNK-MSSJ-MSJ00729.txt index 48ad39a506b..427ccdc9fa1 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00729.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00729.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00729 -RECORD_TITLE: Succinic acid-[1,2,3,4-13C4]; GC-EI-QQ; MS2; POSITIVE; CID 5 V; 2 TMS-derivative; [M-15]+ +RECORD_TITLE: Succinic acid-[1,2,3,4-13C4]; GC-EI-QQQ; MS2; POSITIVE; CID 5 V; 2 TMS-derivative; [M-15]+ DATE: 2021.10.13 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KDYFGRWQOYBRFD-JCDJMFQYSA-N CH$LINK: PUBCHEM CID:16213533 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00730.txt b/MSSJ/MSBNK-MSSJ-MSJ00730.txt index 0a107afe77a..de5759625b8 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00730.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00730.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00730 -RECORD_TITLE: Fumaric acid; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 2 TMS-derivative; [M-15]+ +RECORD_TITLE: Fumaric acid; GC-EI-QQQ; MS2; POSITIVE; CID 10 V; 2 TMS-derivative; [M-15]+ DATE: 2021.10.13 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY VZCYOOQTPOCHFL-OWOJBTEDSA-N CH$LINK: PUBCHEM CID:444972 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00731.txt b/MSSJ/MSBNK-MSSJ-MSJ00731.txt index b492304b7c8..270dfd0f502 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00731.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00731.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00731 -RECORD_TITLE: Fumaric acid-[1,2,3,4-13C4]; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 2 TMS-derivative; [M-15]+ +RECORD_TITLE: Fumaric acid-[1,2,3,4-13C4]; GC-EI-QQQ; MS2; POSITIVE; CID 10 V; 2 TMS-derivative; [M-15]+ DATE: 2021.10.13 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY VZCYOOQTPOCHFL-BHBLSLFXSA-N CH$LINK: PUBCHEM CID:71309144 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00732.txt b/MSSJ/MSBNK-MSSJ-MSJ00732.txt index d9893b6501e..a8c252ba467 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00732.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00732.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00732 -RECORD_TITLE: Malic acid; GC-EI-QQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-15]+ +RECORD_TITLE: Malic acid; GC-EI-QQQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-15]+ DATE: 2021.10.19 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY BJEPYKJPYRNKOW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:525 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00733.txt b/MSSJ/MSBNK-MSSJ-MSJ00733.txt index f393809732b..f1ea0b0e0f5 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00733.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00733.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00733 -RECORD_TITLE: Malic acid-[1-13C]; GC-EI-QQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-15]+ +RECORD_TITLE: Malic acid-[1-13C]; GC-EI-QQQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-15]+ DATE: 2021.10.19 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BJEPYKJPYRNKOW-AZXPZELESA-N CH$LINK: PUBCHEM CID:25214506 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00734.txt b/MSSJ/MSBNK-MSSJ-MSJ00734.txt index d4de6995a29..af58e4b99f8 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00734.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00734.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00734 -RECORD_TITLE: Malic acid-[3-13C]; GC-EI-QQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-15]+ +RECORD_TITLE: Malic acid-[3-13C]; GC-EI-QQQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-15]+ DATE: 2021.10.19 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BJEPYKJPYRNKOW-OUBTZVSYSA-N CH$LINK: PUBCHEM CID:153695700 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00735.txt b/MSSJ/MSBNK-MSSJ-MSJ00735.txt index b868935e091..446ff6c31d4 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00735.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00735.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00735 -RECORD_TITLE: Malic acid-[4-13C]; GC-EI-QQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-15]+ +RECORD_TITLE: Malic acid-[4-13C]; GC-EI-QQQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-15]+ DATE: 2021.10.19 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i3+1 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-LBPDFUHNSA-N CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00736.txt b/MSSJ/MSBNK-MSSJ-MSJ00736.txt index f815afdffca..e0a22a16b5d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00736.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00736.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00736 -RECORD_TITLE: Malic acid-[1,2,3,4-13C4]; GC-EI-QQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-15]+ +RECORD_TITLE: Malic acid-[1,2,3,4-13C4]; GC-EI-QQQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-15]+ DATE: 2021.10.19 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BJEPYKJPYRNKOW-JCDJMFQYSA-N CH$LINK: PUBCHEM CID:71749880 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00737.txt b/MSSJ/MSBNK-MSSJ-MSJ00737.txt index c9285a4a042..f2f599491fb 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00737.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00737.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00737 -RECORD_TITLE: Malic acid; GC-EI-QQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-117]+ +RECORD_TITLE: Malic acid; GC-EI-QQQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-117]+ DATE: 2021.10.27 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY BJEPYKJPYRNKOW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:525 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00738.txt b/MSSJ/MSBNK-MSSJ-MSJ00738.txt index 9d906b5df70..e7c1baf121f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00738.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00738.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00738 -RECORD_TITLE: Malic acid-[1-13C]; GC-EI-QQ; MS2; CID 40 V; POSITIVE; 3 TMS-derivative; [M-118]+ +RECORD_TITLE: Malic acid-[1-13C]; GC-EI-QQQ; MS2; CID 40 V; POSITIVE; 3 TMS-derivative; [M-118]+ DATE: 2021.10.25 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BJEPYKJPYRNKOW-AZXPZELESA-N CH$LINK: PUBCHEM CID:25214506 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00739.txt b/MSSJ/MSBNK-MSSJ-MSJ00739.txt index a22e6353e03..5ebce417063 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00739.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00739.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00739 -RECORD_TITLE: Malic acid-[2-13C]; GC-EI-QQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-117]+ +RECORD_TITLE: Malic acid-[2-13C]; GC-EI-QQQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-117]+ DATE: 2021.10.25 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BJEPYKJPYRNKOW-VQEHIDDOSA-N CH$LINK: PUBCHEM CID:71309137 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00740.txt b/MSSJ/MSBNK-MSSJ-MSJ00740.txt index 85edc7db7cc..d375a023a28 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00740.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00740.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00740 -RECORD_TITLE: Malic acid-[3-13C]; GC-EI-QQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-117]+ +RECORD_TITLE: Malic acid-[3-13C]; GC-EI-QQQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-117]+ DATE: 2021.10.27 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BJEPYKJPYRNKOW-OUBTZVSYSA-N CH$LINK: PUBCHEM CID:153695700 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00741.txt b/MSSJ/MSBNK-MSSJ-MSJ00741.txt index 705eb5a8468..fbf4cb1946c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00741.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00741.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00741 -RECORD_TITLE: Malic acid-[4-13C]; GC-EI-QQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-118]+ +RECORD_TITLE: Malic acid-[4-13C]; GC-EI-QQQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-118]+ DATE: 2021.10.27 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i3+1 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-LBPDFUHNSA-N CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00742.txt b/MSSJ/MSBNK-MSSJ-MSJ00742.txt index 9b5ec57c275..eeff2c4d533 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00742.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00742.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00742 -RECORD_TITLE: Malic acid-[1,2,3,4-13C4]; GC-EI-QQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-118]+ +RECORD_TITLE: Malic acid-[1,2,3,4-13C4]; GC-EI-QQQ; MS2; CID 5 V; POSITIVE; 3 TMS-derivative; [M-118]+ DATE: 2021.10.25 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BJEPYKJPYRNKOW-JCDJMFQYSA-N CH$LINK: PUBCHEM CID:71749880 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00743.txt b/MSSJ/MSBNK-MSSJ-MSJ00743.txt index 2b4dd301b92..9980fbf3d6f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00743.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00743.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00743 -RECORD_TITLE: Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-189]+ +RECORD_TITLE: Citric acid; GC-EI-QQQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-189]+ DATE: 2021.10.27 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY KRKNYBCHXYNGOX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:311 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00744.txt b/MSSJ/MSBNK-MSSJ-MSJ00744.txt index 299c2b3fd20..35cc47808a8 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00744.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00744.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00744 -RECORD_TITLE: Citric acid-[1-13C]; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-189]+ +RECORD_TITLE: Citric acid-[1-13C]; GC-EI-QQQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-189]+ DATE: 2021.10.27 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KRKNYBCHXYNGOX-LBPDFUHNSA-N CH$LINK: PUBCHEM CID:9990172 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00745.txt b/MSSJ/MSBNK-MSSJ-MSJ00745.txt index 3d702b2f0b3..75c885569d6 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00745.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00745.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00745 -RECORD_TITLE: Citric acid-[1-13C]; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-189]+ +RECORD_TITLE: Citric acid-[1-13C]; GC-EI-QQQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-189]+ DATE: 2021.10.19 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KRKNYBCHXYNGOX-LBPDFUHNSA-N CH$LINK: PUBCHEM CID:9990172 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00746.txt b/MSSJ/MSBNK-MSSJ-MSJ00746.txt index baf98de987a..786729fcfe0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00746.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00746.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00746 -RECORD_TITLE: Citric acid-[6-13C]; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-189]+ +RECORD_TITLE: Citric acid-[6-13C]; GC-EI-QQQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-189]+ DATE: 2021.10.25 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9, CH$LINK: INCHIKEY KRKNYBCHXYNGOX-HOSYLAQJSA-N CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00747.txt b/MSSJ/MSBNK-MSSJ-MSJ00747.txt index fc6622b4ef9..46ae0e6ff50 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00747.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00747.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00747 -RECORD_TITLE: Citric acid-[1,5-13C2]; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-189]+ +RECORD_TITLE: Citric acid-[1,5-13C2]; GC-EI-QQQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-189]+ DATE: 2021.10.28 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KRKNYBCHXYNGOX-CQDYUVAPSA-N CH$LINK: PUBCHEM CID:10313505 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00748.txt b/MSSJ/MSBNK-MSSJ-MSJ00748.txt index d40cb2dd12c..e5c47051ee0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00748.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00748.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00748 -RECORD_TITLE: Citric acid-[1,2,3,4,5,6-13C6]; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-189]+ +RECORD_TITLE: Citric acid-[1,2,3,4,5,6-13C6]; GC-EI-QQQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-189]+ DATE: 2021.10.28 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KRKNYBCHXYNGOX-IDEBNGHGSA-N CH$LINK: PUBCHEM CID:16217547 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00749.txt b/MSSJ/MSBNK-MSSJ-MSJ00749.txt index 142b87903b3..98558becc1f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00749.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00749.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00749 -RECORD_TITLE: Citric acid; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-291]+ +RECORD_TITLE: Citric acid; GC-EI-QQQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-291]+ DATE: 2021.10.26 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY KRKNYBCHXYNGOX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:311 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00750.txt b/MSSJ/MSBNK-MSSJ-MSJ00750.txt index 5ba63def728..b5281b0eeac 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00750.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00750.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00750 -RECORD_TITLE: Citric acid-[1-13C]; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-291]+ +RECORD_TITLE: Citric acid-[1-13C]; GC-EI-QQQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-291]+ DATE: 2021.10.28 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KRKNYBCHXYNGOX-LBPDFUHNSA-N CH$LINK: PUBCHEM CID:9990172 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00751.txt b/MSSJ/MSBNK-MSSJ-MSJ00751.txt index 5070d328cce..aeee0404081 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00751.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00751.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00751 -RECORD_TITLE: Citric acid-[1-13C]; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-291]+ +RECORD_TITLE: Citric acid-[1-13C]; GC-EI-QQQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-291]+ DATE: 2021.09.30 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KRKNYBCHXYNGOX-LBPDFUHNSA-N CH$LINK: PUBCHEM CID:9990172 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00752.txt b/MSSJ/MSBNK-MSSJ-MSJ00752.txt index 850d866aada..9d5bd0b8ae2 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00752.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00752.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00752 -RECORD_TITLE: Citric acid-[6-13C]; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-292]+ +RECORD_TITLE: Citric acid-[6-13C]; GC-EI-QQQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-292]+ DATE: 2021.09.30 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9, CH$LINK: INCHIKEY KRKNYBCHXYNGOX-HOSYLAQJSA-N CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00753.txt b/MSSJ/MSBNK-MSSJ-MSJ00753.txt index 418942898d0..7080ec8b4f4 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00753.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00753.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00753 -RECORD_TITLE: Citric acid-[1,5-13C2]; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-291]+ +RECORD_TITLE: Citric acid-[1,5-13C2]; GC-EI-QQQ; MS2; POSITIVE; CID 10 V; 4 TBDMS-derivative; [M-291]+ DATE: 2021.09.30 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY KRKNYBCHXYNGOX-CQDYUVAPSA-N CH$LINK: PUBCHEM CID:10313505 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00755.txt b/MSSJ/MSBNK-MSSJ-MSJ00755.txt index e99b48a3905..b775a4f06e0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00755.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00755.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00755 -RECORD_TITLE: alpha-Ketoglutaric acid; GC-EI-QQ; MS2; positive; CID 10 V; MEOX,2TBDMS-derivative; [M-57]+ +RECORD_TITLE: alpha-Ketoglutaric acid; GC-EI-QQQ; MS2; positive; CID 10 V; MEOX,2TBDMS-derivative; [M-57]+ DATE: 2021.10.04 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY KPGXRSRHYNQIFN-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:51 CH$LINK: ChemOnt CHEMONTID:0001115; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Gamma-keto acids and derivatives AC$INSTRUMENT: GCMS-QP2010 Ultra (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00756.txt b/MSSJ/MSBNK-MSSJ-MSJ00756.txt index 5a542acf2a9..defd5946730 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00756.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00756.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00756 -RECORD_TITLE: alpha-Ketoglutaric acid-[1,2,3,4-13C4]; GC-EI-QQ; MS2; positive; CID 10 V; MEOX,2TBDMS-derivative; [M-57]+ +RECORD_TITLE: alpha-Ketoglutaric acid-[1,2,3,4-13C4]; GC-EI-QQQ; MS2; positive; CID 10 V; MEOX,2TBDMS-derivative; [M-57]+ DATE: 2021.10.04 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KPGXRSRHYNQIFN-SAXDBNRNSA-N CH$LINK: PUBCHEM CID:91971603 CH$LINK: ChemOnt CHEMONTID:0001115; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Gamma-keto acids and derivatives AC$INSTRUMENT: GCMS-QP2010 Ultra (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00757.txt b/MSSJ/MSBNK-MSSJ-MSJ00757.txt index c0f158aebb4..b516075d933 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00757.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00757.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00757 -RECORD_TITLE: alpha-Ketoglutaric acid-[1,2,3,4,5-13C5]; GC-EI-QQ; MS2; positive; CID 10 V; MEOX,2TBDMS-derivative; [M-57]+ +RECORD_TITLE: alpha-Ketoglutaric acid-[1,2,3,4,5-13C5]; GC-EI-QQQ; MS2; positive; CID 10 V; MEOX,2TBDMS-derivative; [M-57]+ DATE: 2021.10.04 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KPGXRSRHYNQIFN-CVMUNTFWSA-N CH$LINK: PUBCHEM CID:131801545 CH$LINK: ChemOnt CHEMONTID:0001115; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Gamma-keto acids and derivatives AC$INSTRUMENT: GCMS-QP2010 Ultra (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00758.txt b/MSSJ/MSBNK-MSSJ-MSJ00758.txt index 35f8d166040..55d3cdd73a9 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00758.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00758.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00758 -RECORD_TITLE: alpha-Ketoglutaric acid; GC-EI-QQ; MS2; positive; CID 10 V; MEOX,2TBDMS-derivative; [M-247]+ +RECORD_TITLE: alpha-Ketoglutaric acid; GC-EI-QQQ; MS2; positive; CID 10 V; MEOX,2TBDMS-derivative; [M-247]+ DATE: 2021.10.06 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY KPGXRSRHYNQIFN-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:51 CH$LINK: ChemOnt CHEMONTID:0001115; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Gamma-keto acids and derivatives AC$INSTRUMENT: GCMS-QP2010 Ultra (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00759.txt b/MSSJ/MSBNK-MSSJ-MSJ00759.txt index 87b4b65d906..a4d1e0655cd 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00759.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00759.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00759 -RECORD_TITLE: alpha-Ketoglutaric acid-[1,2,3,4-13C4]; GC-EI-QQ; MS2; positive; CID 10 V; MEOX,2TBDMS-derivative; [M-247]+ +RECORD_TITLE: alpha-Ketoglutaric acid-[1,2,3,4-13C4]; GC-EI-QQQ; MS2; positive; CID 10 V; MEOX,2TBDMS-derivative; [M-247]+ DATE: 2021.10.06 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KPGXRSRHYNQIFN-SAXDBNRNSA-N CH$LINK: PUBCHEM CID:91971603 CH$LINK: ChemOnt CHEMONTID:0001115; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Gamma-keto acids and derivatives AC$INSTRUMENT: GCMS-QP2010 Ultra (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00760.txt b/MSSJ/MSBNK-MSSJ-MSJ00760.txt index 780793f6c10..a9f2dc66c7d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00760.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00760.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00760 -RECORD_TITLE: alpha-Ketoglutaric acid-[1,2,3,4,5-13C5]; GC-EI-QQ; MS2; positive; CID 10 V; MEOX,2TBDMS-derivative; [M-248]+ +RECORD_TITLE: alpha-Ketoglutaric acid-[1,2,3,4,5-13C5]; GC-EI-QQQ; MS2; positive; CID 10 V; MEOX,2TBDMS-derivative; [M-248]+ DATE: 2021.10.06 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY KPGXRSRHYNQIFN-CVMUNTFWSA-N CH$LINK: PUBCHEM CID:131801545 CH$LINK: ChemOnt CHEMONTID:0001115; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Gamma-keto acids and derivatives AC$INSTRUMENT: GCMS-QP2010 Ultra (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00761.txt b/MSSJ/MSBNK-MSSJ-MSJ00761.txt index f84cd9cad6e..fc40aed6fc1 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00761.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00761.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00761 -RECORD_TITLE: Succinic acid; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 2 TBDMS-derivative; [M-57]+ +RECORD_TITLE: Succinic acid; GC-EI-QQQ; MS2; POSITIVE; CID 10 V; 2 TBDMS-derivative; [M-57]+ DATE: 2021.10.07 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -21,7 +21,7 @@ CH$LINK: KEGG C00042 CH$LINK: PUBCHEM CID:1110 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00762.txt b/MSSJ/MSBNK-MSSJ-MSJ00762.txt index 19791d6e97e..ea77922c6c5 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00762.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00762.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00762 -RECORD_TITLE: Succinic acid-[1,2,3,4-13C4]; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 2 TBDMS-derivative; [M-57]+ +RECORD_TITLE: Succinic acid-[1,2,3,4-13C4]; GC-EI-QQQ; MS2; POSITIVE; CID 10 V; 2 TBDMS-derivative; [M-57]+ DATE: 2021.10.07 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY KDYFGRWQOYBRFD-JCDJMFQYSA-N CH$LINK: PUBCHEM CID:16213533 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00763.txt b/MSSJ/MSBNK-MSSJ-MSJ00763.txt index 2dcb71f0056..6a36523db65 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00763.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00763.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00763 -RECORD_TITLE: Fumaric acid; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 2 TBDMS-derivative; [M-57]+ +RECORD_TITLE: Fumaric acid; GC-EI-QQQ; MS2; POSITIVE; CID 10 V; 2 TBDMS-derivative; [M-57]+ DATE: 2021.10.11 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY VZCYOOQTPOCHFL-OWOJBTEDSA-N CH$LINK: PUBCHEM CID:444972 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00764.txt b/MSSJ/MSBNK-MSSJ-MSJ00764.txt index f4aff68c9e6..964836d48aa 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00764.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00764.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00764 -RECORD_TITLE: Fumaric acid-[1,2,3,4-13C4]; GC-EI-QQ; MS2; POSITIVE; CID 10 V; 2 TBDMS-derivative; [M-57]+ +RECORD_TITLE: Fumaric acid-[1,2,3,4-13C4]; GC-EI-QQQ; MS2; POSITIVE; CID 10 V; 2 TBDMS-derivative; [M-57]+ DATE: 2021.10.11 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY VZCYOOQTPOCHFL-BHBLSLFXSA-N CH$LINK: PUBCHEM CID:71309144 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00765.txt b/MSSJ/MSBNK-MSSJ-MSJ00765.txt index d48156c879b..7d00ca27570 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00765.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00765.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00765 -RECORD_TITLE: Malic acid; GC-EI-QQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-57]+ +RECORD_TITLE: Malic acid; GC-EI-QQQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-57]+ DATE: 2021.10.12 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY BJEPYKJPYRNKOW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:525 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00766.txt b/MSSJ/MSBNK-MSSJ-MSJ00766.txt index 673e9a4832c..66a52679f83 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00766.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00766.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00766 -RECORD_TITLE: Malic acid-[1-13C]; GC-EI-QQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-57]+ +RECORD_TITLE: Malic acid-[1-13C]; GC-EI-QQQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-57]+ DATE: 2021.10.12 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BJEPYKJPYRNKOW-AZXPZELESA-N CH$LINK: PUBCHEM CID:25214506 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00767.txt b/MSSJ/MSBNK-MSSJ-MSJ00767.txt index 68e130b7629..0ee7985c3eb 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00767.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00767.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00767 -RECORD_TITLE: Malic acid-[2-13C]; GC-EI-QQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-57]+ +RECORD_TITLE: Malic acid-[2-13C]; GC-EI-QQQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-57]+ DATE: 2021.10.12 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY BJEPYKJPYRNKOW-VQEHIDDOSA-N CH$LINK: PUBCHEM CID:71309137 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00768.txt b/MSSJ/MSBNK-MSSJ-MSJ00768.txt index 11c15bf87f0..4bb892774e7 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00768.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00768.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00768 -RECORD_TITLE: Malic acid-[3-13C]; GC-EI-QQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-57]+ +RECORD_TITLE: Malic acid-[3-13C]; GC-EI-QQQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-57]+ DATE: 2021.10.12 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BJEPYKJPYRNKOW-OUBTZVSYSA-N CH$LINK: PUBCHEM CID:153695700 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00769.txt b/MSSJ/MSBNK-MSSJ-MSJ00769.txt index c7461c93ad2..3d0e51156c7 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00769.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00769.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00769 -RECORD_TITLE: Malic acid-[4-13C]; GC-EI-QQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-57]+ +RECORD_TITLE: Malic acid-[4-13C]; GC-EI-QQQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-57]+ DATE: 2021.10.12 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i3+1 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-LBPDFUHNSA-N CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00770.txt b/MSSJ/MSBNK-MSSJ-MSJ00770.txt index 7f1e7f5e977..4343895cc76 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00770.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00770.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00770 -RECORD_TITLE: Malic acid-[1,2,3,4-13C4]; GC-EI-QQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-57]+ +RECORD_TITLE: Malic acid-[1,2,3,4-13C4]; GC-EI-QQQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-57]+ DATE: 2021.10.12 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BJEPYKJPYRNKOW-JCDJMFQYSA-N CH$LINK: PUBCHEM CID:71749880 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00771.txt b/MSSJ/MSBNK-MSSJ-MSJ00771.txt index a2c2c52c219..1252ac2b527 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00771.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00771.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00771 -RECORD_TITLE: Malic acid; GC-EI-QQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-159]+ +RECORD_TITLE: Malic acid; GC-EI-QQQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-159]+ DATE: 2021.10.13 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY BJEPYKJPYRNKOW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:525 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00772.txt b/MSSJ/MSBNK-MSSJ-MSJ00772.txt index 973fd788527..dbbdc399fba 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00772.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00772.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00772 -RECORD_TITLE: Malic acid-[1-13C]; GC-EI-QQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-160]+ +RECORD_TITLE: Malic acid-[1-13C]; GC-EI-QQQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-160]+ DATE: 2021.10.15 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BJEPYKJPYRNKOW-AZXPZELESA-N CH$LINK: PUBCHEM CID:25214506 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00773.txt b/MSSJ/MSBNK-MSSJ-MSJ00773.txt index d9ce7ee0b01..903928b05f3 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00773.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00773.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00773 -RECORD_TITLE: Malic acid-[2-13C]; GC-EI-QQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-159]+ +RECORD_TITLE: Malic acid-[2-13C]; GC-EI-QQQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-159]+ DATE: 2021.10.13 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY BJEPYKJPYRNKOW-VQEHIDDOSA-N CH$LINK: PUBCHEM CID:71309137 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00774.txt b/MSSJ/MSBNK-MSSJ-MSJ00774.txt index c8744165ec4..dadcc3daa66 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00774.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00774.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00774 -RECORD_TITLE: Malic acid-[3-13C]; GC-EI-QQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-159]+ +RECORD_TITLE: Malic acid-[3-13C]; GC-EI-QQQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-159]+ DATE: 2021.10.13 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BJEPYKJPYRNKOW-OUBTZVSYSA-N CH$LINK: PUBCHEM CID:153695700 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00775.txt b/MSSJ/MSBNK-MSSJ-MSJ00775.txt index a0ccb281637..0351809b204 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00775.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00775.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00775 -RECORD_TITLE: Malic acid-[4-13C]; GC-EI-QQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-159]+ +RECORD_TITLE: Malic acid-[4-13C]; GC-EI-QQQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-159]+ DATE: 2021.10.13 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -17,7 +17,7 @@ CH$IUPAC: InChI=1S/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)/i3+1 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-LBPDFUHNSA-N CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ00776.txt b/MSSJ/MSBNK-MSSJ-MSJ00776.txt index 3c5fe37aedb..8fcbbad472f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ00776.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ00776.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ00776 -RECORD_TITLE: Malic acid-[1,2,3,4-13C4]; GC-EI-QQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-159]+ +RECORD_TITLE: Malic acid-[1,2,3,4-13C4]; GC-EI-QQQ; MS2; POSITIVE; CID 5 V; 3 TBDMS-derivative; [M-159]+ DATE: 2021.10.13 AUTHORS: Nobuyuki Okahashi and Fumio Matsuda, Osaka University LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY BJEPYKJPYRNKOW-JCDJMFQYSA-N CH$LINK: PUBCHEM CID:71749880 CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: GCMS-TQ8040 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01500.txt b/MSSJ/MSBNK-MSSJ-MSJ01500.txt index 94884db9eec..6570c8208c1 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01500.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01500.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01500 -RECORD_TITLE: 3,8-Diamino-6-phenylphenanthridine; ESI-QQ; MS2; [M+H]+, CID, CE 50 V +RECORD_TITLE: 3,8-Diamino-6-phenylphenanthridine; ESI-QQQ; MS2; [M+H]+, CID, CE 50 V DATE: 2022.07.06 AUTHORS: Kaori Shintani, Department of Forensic Medicine, Graduate School of Medical Science, Kyoto Prefectural University of Medicine, 465 Kajii-cho, Kamigyo-ku, Kyoto 602-8566, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CPNAVTYCORRLMH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:104052 CH$LINK: ChemOnt CHEMONTID:0002348; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines AC$INSTRUMENT: LCMS-8045 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01501.txt b/MSSJ/MSBNK-MSSJ-MSJ01501.txt index 9cacd472a3d..18f429a7567 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01501.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01501 -RECORD_TITLE: 3,8-Diamino-6-phenylphenanthridine; ESI-QQ; MS2; [M+H]+, CID, CE 40 V +RECORD_TITLE: 3,8-Diamino-6-phenylphenanthridine; ESI-QQQ; MS2; [M+H]+, CID, CE 40 V DATE: 2022.07.06 AUTHORS: Kaori Shintani, Department of Forensic Medicine, Graduate School of Medical Science, Kyoto Prefectural University of Medicine, 465 Kajii-cho, Kamigyo-ku, Kyoto 602-8566, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CPNAVTYCORRLMH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:104052 CH$LINK: ChemOnt CHEMONTID:0002348; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines AC$INSTRUMENT: LCMS-8045 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01502.txt b/MSSJ/MSBNK-MSSJ-MSJ01502.txt index bbb2b977aca..abfbf56d2c1 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01502.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01502 -RECORD_TITLE: 3,8-Diamino-6-phenylphenanthridine; ESI-QQ; MS2; [M+H]+, CID, CE 35 V +RECORD_TITLE: 3,8-Diamino-6-phenylphenanthridine; ESI-QQQ; MS2; [M+H]+, CID, CE 35 V DATE: 2022.07.06 AUTHORS: Kaori Shintani, Department of Forensic Medicine, Graduate School of Medical Science, Kyoto Prefectural University of Medicine, 465 Kajii-cho, Kamigyo-ku, Kyoto 602-8566, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CPNAVTYCORRLMH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:104052 CH$LINK: ChemOnt CHEMONTID:0002348; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines AC$INSTRUMENT: LCMS-8045 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01503.txt b/MSSJ/MSBNK-MSSJ-MSJ01503.txt index e56360c9078..3380bdf78c9 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01503.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01503 -RECORD_TITLE: 3,8-Diamino-6-phenylphenanthridine; ESI-QQ; MS2; [M+H]+, CID, CE 15 V +RECORD_TITLE: 3,8-Diamino-6-phenylphenanthridine; ESI-QQQ; MS2; [M+H]+, CID, CE 15 V DATE: 2022.07.06 AUTHORS: Kaori Shintani, Department of Forensic Medicine, Graduate School of Medical Science, Kyoto Prefectural University of Medicine, 465 Kajii-cho, Kamigyo-ku, Kyoto 602-8566, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CPNAVTYCORRLMH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:104052 CH$LINK: ChemOnt CHEMONTID:0002348; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines AC$INSTRUMENT: LCMS-8045 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01504.txt b/MSSJ/MSBNK-MSSJ-MSJ01504.txt index c705257c8af..8f71e9d28d8 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01504.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01504 -RECORD_TITLE: 2-Hydroxyethidium; ESI-QQ; MS2; [M]+, CID, CE 45 V +RECORD_TITLE: 2-Hydroxyethidium; ESI-QQQ; MS2; [M]+, CID, CE 45 V DATE: 2022.07.06 AUTHORS: Kaori Shintani, Department of Forensic Medicine, Graduate School of Medical Science, Kyoto Prefectural University of Medicine, 465 Kajii-cho, Kamigyo-ku, Kyoto 602-8566, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QZGDUYKVUMMZQQ-UHFFFAOYSA-O CH$LINK: PUBCHEM CID:71414207 CH$LINK: ChemOnt CHEMONTID:0002348; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines AC$INSTRUMENT: LCMS-8045 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 45 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01505.txt b/MSSJ/MSBNK-MSSJ-MSJ01505.txt index 4613b6251ce..73bd83e7e54 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01505.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01505 -RECORD_TITLE: 2-Hydroxyethidium; ESI-QQ; MS2; [M]+, CID, CE 35 V +RECORD_TITLE: 2-Hydroxyethidium; ESI-QQQ; MS2; [M]+, CID, CE 35 V DATE: 2022.07.06 AUTHORS: Kaori Shintani, Department of Forensic Medicine, Graduate School of Medical Science, Kyoto Prefectural University of Medicine, 465 Kajii-cho, Kamigyo-ku, Kyoto 602-8566, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QZGDUYKVUMMZQQ-UHFFFAOYSA-O CH$LINK: PUBCHEM CID:71414207 CH$LINK: ChemOnt CHEMONTID:0002348; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines AC$INSTRUMENT: LCMS-8045 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01506.txt b/MSSJ/MSBNK-MSSJ-MSJ01506.txt index acf2bc72be6..cbbc86152fd 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01506.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01506 -RECORD_TITLE: 2-Hydroxyethidium; ESI-QQ; MS2; [M]+, CID, CE 30 V +RECORD_TITLE: 2-Hydroxyethidium; ESI-QQQ; MS2; [M]+, CID, CE 30 V DATE: 2022.07.06 AUTHORS: Kaori Shintani, Department of Forensic Medicine, Graduate School of Medical Science, Kyoto Prefectural University of Medicine, 465 Kajii-cho, Kamigyo-ku, Kyoto 602-8566, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QZGDUYKVUMMZQQ-UHFFFAOYSA-O CH$LINK: PUBCHEM CID:71414207 CH$LINK: ChemOnt CHEMONTID:0002348; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines AC$INSTRUMENT: LCMS-8045 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01507.txt b/MSSJ/MSBNK-MSSJ-MSJ01507.txt index 390f49ea2aa..21162ebf23a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01507.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01507 -RECORD_TITLE: Ethidium; ESI-QQ; MS2; [M]+, CID, CE 40 V +RECORD_TITLE: Ethidium; ESI-QQQ; MS2; [M]+, CID, CE 40 V DATE: 2022.07.06 AUTHORS: Kaori Shintani, Department of Forensic Medicine, Graduate School of Medical Science, Kyoto Prefectural University of Medicine, 465 Kajii-cho, Kamigyo-ku, Kyoto 602-8566, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QTANTQQOYSUMLC-UHFFFAOYSA-O CH$LINK: PUBCHEM CID:3624 CH$LINK: ChemOnt CHEMONTID:0002348; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines AC$INSTRUMENT: LCMS-8045 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01508.txt b/MSSJ/MSBNK-MSSJ-MSJ01508.txt index 5fa4b692b11..be777327330 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01508.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01508 -RECORD_TITLE: Ethidium; ESI-QQ; MS2; [M]+, CID, CE 30 V +RECORD_TITLE: Ethidium; ESI-QQQ; MS2; [M]+, CID, CE 30 V DATE: 2022.07.06 AUTHORS: Kaori Shintani, Department of Forensic Medicine, Graduate School of Medical Science, Kyoto Prefectural University of Medicine, 465 Kajii-cho, Kamigyo-ku, Kyoto 602-8566, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QTANTQQOYSUMLC-UHFFFAOYSA-O CH$LINK: PUBCHEM CID:3624 CH$LINK: ChemOnt CHEMONTID:0002348; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines AC$INSTRUMENT: LCMS-8045 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01509.txt b/MSSJ/MSBNK-MSSJ-MSJ01509.txt index 65a4abbaac4..62651cdfa67 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01509.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01509.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01509 -RECORD_TITLE: Ethidium; ESI-QQ; MS2; [M]+, CID, CE 25 V +RECORD_TITLE: Ethidium; ESI-QQQ; MS2; [M]+, CID, CE 25 V DATE: 2022.07.06 AUTHORS: Kaori Shintani, Department of Forensic Medicine, Graduate School of Medical Science, Kyoto Prefectural University of Medicine, 465 Kajii-cho, Kamigyo-ku, Kyoto 602-8566, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QTANTQQOYSUMLC-UHFFFAOYSA-O CH$LINK: PUBCHEM CID:3624 CH$LINK: ChemOnt CHEMONTID:0002348; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Phenylquinolines AC$INSTRUMENT: LCMS-8045 (Shimadzu, Kyoto, Japan) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01510.txt b/MSSJ/MSBNK-MSSJ-MSJ01510.txt index b3f35f5ac99..d019e32c45c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01510.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01510.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01510 -RECORD_TITLE: Alprazolam; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Alprazolam; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VREFGVBLTWBCJP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2118 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01511.txt b/MSSJ/MSBNK-MSSJ-MSJ01511.txt index dab8cf8fcb5..ff0a5d25d3e 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01511.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01511.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01511 -RECORD_TITLE: Alprazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+ +RECORD_TITLE: Alprazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VREFGVBLTWBCJP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2118 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01512.txt b/MSSJ/MSBNK-MSSJ-MSJ01512.txt index 06e08ef0964..80194ae60c0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01512.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01512.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01512 -RECORD_TITLE: Alprazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+ +RECORD_TITLE: Alprazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VREFGVBLTWBCJP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2118 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01513.txt b/MSSJ/MSBNK-MSSJ-MSJ01513.txt index 55f0a89c7f2..d8b9f8aaa0a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01513.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01513.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01513 -RECORD_TITLE: Alprazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+ +RECORD_TITLE: Alprazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VREFGVBLTWBCJP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2118 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01514.txt b/MSSJ/MSBNK-MSSJ-MSJ01514.txt index 63cce1959f2..da33ed49884 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01514.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01514.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01514 -RECORD_TITLE: Alprazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+ +RECORD_TITLE: Alprazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VREFGVBLTWBCJP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2118 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01515.txt b/MSSJ/MSBNK-MSSJ-MSJ01515.txt index 322a7b982e6..86f7895c7c2 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01515.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01515.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01515 -RECORD_TITLE: Alprazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+ +RECORD_TITLE: Alprazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VREFGVBLTWBCJP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2118 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01516.txt b/MSSJ/MSBNK-MSSJ-MSJ01516.txt index 2cc41733a6d..9c1043b8800 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01516.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01516.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01516 -RECORD_TITLE: Estazolam; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Estazolam; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CDCHDCWJMGXXRH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3261 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01517.txt b/MSSJ/MSBNK-MSSJ-MSJ01517.txt index 66d64ec09ca..bb8afbbbc1e 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01517.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01517.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01517 -RECORD_TITLE: Estazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+ +RECORD_TITLE: Estazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CDCHDCWJMGXXRH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3261 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01518.txt b/MSSJ/MSBNK-MSSJ-MSJ01518.txt index d84a2cd9edf..6b19c02c5a5 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01518.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01518.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01518 -RECORD_TITLE: Estazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+ +RECORD_TITLE: Estazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CDCHDCWJMGXXRH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3261 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01519.txt b/MSSJ/MSBNK-MSSJ-MSJ01519.txt index c91734658c2..e4c0530f7c7 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01519.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01519.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01519 -RECORD_TITLE: Estazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+ +RECORD_TITLE: Estazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CDCHDCWJMGXXRH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3261 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01520.txt b/MSSJ/MSBNK-MSSJ-MSJ01520.txt index 17b0f9c8cfe..0e12430a5ae 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01520.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01520.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01520 -RECORD_TITLE: Estazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+ +RECORD_TITLE: Estazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CDCHDCWJMGXXRH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3261 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01521.txt b/MSSJ/MSBNK-MSSJ-MSJ01521.txt index b54d05e7f92..e5fa780adb8 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01521.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01521.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01521 -RECORD_TITLE: Estazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+ +RECORD_TITLE: Estazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CDCHDCWJMGXXRH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3261 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01522.txt b/MSSJ/MSBNK-MSSJ-MSJ01522.txt index dae5b635077..50977af3c75 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01522.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01522.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01522 -RECORD_TITLE: Etizolam; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Etizolam; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VMZUTJCNQWMAGF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3307 CH$LINK: ChemOnt CHEMONTID:0002313; Organic compounds; Organoheterocyclic compounds; Thienodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01523.txt b/MSSJ/MSBNK-MSSJ-MSJ01523.txt index a8ea89160fd..493438c5a8c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01523.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01523.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01523 -RECORD_TITLE: Etizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+ +RECORD_TITLE: Etizolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VMZUTJCNQWMAGF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3307 CH$LINK: ChemOnt CHEMONTID:0002313; Organic compounds; Organoheterocyclic compounds; Thienodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01524.txt b/MSSJ/MSBNK-MSSJ-MSJ01524.txt index 5a554e10d61..e7fdc10ba69 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01524.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01524.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01524 -RECORD_TITLE: Etizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+ +RECORD_TITLE: Etizolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VMZUTJCNQWMAGF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3307 CH$LINK: ChemOnt CHEMONTID:0002313; Organic compounds; Organoheterocyclic compounds; Thienodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01525.txt b/MSSJ/MSBNK-MSSJ-MSJ01525.txt index 5a64787784c..44e26d1cd8a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01525.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01525.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01525 -RECORD_TITLE: Etizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+ +RECORD_TITLE: Etizolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VMZUTJCNQWMAGF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3307 CH$LINK: ChemOnt CHEMONTID:0002313; Organic compounds; Organoheterocyclic compounds; Thienodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01526.txt b/MSSJ/MSBNK-MSSJ-MSJ01526.txt index f9a428cccab..e9d214b0349 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01526.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01526.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01526 -RECORD_TITLE: Etizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+ +RECORD_TITLE: Etizolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VMZUTJCNQWMAGF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3307 CH$LINK: ChemOnt CHEMONTID:0002313; Organic compounds; Organoheterocyclic compounds; Thienodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01527.txt b/MSSJ/MSBNK-MSSJ-MSJ01527.txt index 2998e4e2c65..b315c825caa 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01527.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01527.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01527 -RECORD_TITLE: Etizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+ +RECORD_TITLE: Etizolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VMZUTJCNQWMAGF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3307 CH$LINK: ChemOnt CHEMONTID:0002313; Organic compounds; Organoheterocyclic compounds; Thienodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01528.txt b/MSSJ/MSBNK-MSSJ-MSJ01528.txt index 9b7599ea1d6..057671ad0e0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01528.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01528.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01528 -RECORD_TITLE: Oxazepam; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Oxazepam; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ADIMAYPTOBDMTL-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4616 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01529.txt b/MSSJ/MSBNK-MSSJ-MSJ01529.txt index b632c6a5f0d..4cbe7c8e145 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01529.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01529.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01529 -RECORD_TITLE: Oxazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+ +RECORD_TITLE: Oxazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ADIMAYPTOBDMTL-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4616 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01530.txt b/MSSJ/MSBNK-MSSJ-MSJ01530.txt index 902ff8ee166..39923f3c53c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01530.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01530.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01530 -RECORD_TITLE: Oxazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+ +RECORD_TITLE: Oxazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ADIMAYPTOBDMTL-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4616 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01531.txt b/MSSJ/MSBNK-MSSJ-MSJ01531.txt index ef81c8843dd..5e7368e3962 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01531.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01531.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01531 -RECORD_TITLE: Oxazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+ +RECORD_TITLE: Oxazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ADIMAYPTOBDMTL-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4616 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR, Shimadzu, Kyoto, Japan. -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01532.txt b/MSSJ/MSBNK-MSSJ-MSJ01532.txt index 6700ddd5177..9bd7e7e2d3f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01532.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01532.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01532 -RECORD_TITLE: Oxazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+ +RECORD_TITLE: Oxazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ADIMAYPTOBDMTL-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4616 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01533.txt b/MSSJ/MSBNK-MSSJ-MSJ01533.txt index e9e427591bf..820643aed11 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01533.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01533.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01533 -RECORD_TITLE: Oxazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+ +RECORD_TITLE: Oxazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ADIMAYPTOBDMTL-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4616 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoro, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01534.txt b/MSSJ/MSBNK-MSSJ-MSJ01534.txt index 80e2ad76249..9092d45dee8 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01534.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01534.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01534 -RECORD_TITLE: Oxazepam; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Oxazepam; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ADIMAYPTOBDMTL-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4616 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01535.txt b/MSSJ/MSBNK-MSSJ-MSJ01535.txt index 5dbcc718a50..8f6287b5949 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01535.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01535.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01535 -RECORD_TITLE: Oxazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 10 V; [M-H]- +RECORD_TITLE: Oxazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 10 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ADIMAYPTOBDMTL-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4616 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01536.txt b/MSSJ/MSBNK-MSSJ-MSJ01536.txt index 1eae8cce4bc..cda5360c2e6 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01536.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01536.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01536 -RECORD_TITLE: Oxazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 20 V; [M-H]- +RECORD_TITLE: Oxazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 20 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ADIMAYPTOBDMTL-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4616 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01537.txt b/MSSJ/MSBNK-MSSJ-MSJ01537.txt index 355b52e6b9c..6f3335fd4f7 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01537.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01537.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01537 -RECORD_TITLE: Oxazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 30 V; [M-H]- +RECORD_TITLE: Oxazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 30 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ADIMAYPTOBDMTL-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4616 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01538.txt b/MSSJ/MSBNK-MSSJ-MSJ01538.txt index 118ae00ab5d..7f8668d100f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01538.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01538.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01538 -RECORD_TITLE: Oxazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 40 V; [M-H]- +RECORD_TITLE: Oxazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 40 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ADIMAYPTOBDMTL-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4616 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01539.txt b/MSSJ/MSBNK-MSSJ-MSJ01539.txt index 97a9e1aca4b..23a39645fc4 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01539.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01539.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01539 -RECORD_TITLE: Oxazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 50 V; [M-H]- +RECORD_TITLE: Oxazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 50 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ADIMAYPTOBDMTL-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4616 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01540.txt b/MSSJ/MSBNK-MSSJ-MSJ01540.txt index 11b5ef6d4aa..73282d8c912 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01540.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01540.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01540 -RECORD_TITLE: Oxazolam; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Oxazolam; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VCCZBYPHZRWKFY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4617 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01541.txt b/MSSJ/MSBNK-MSSJ-MSJ01541.txt index e5fda02ec97..721f02ddd19 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01541.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01541.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01541 -RECORD_TITLE: Oxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+ +RECORD_TITLE: Oxazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VCCZBYPHZRWKFY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4617 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01542.txt b/MSSJ/MSBNK-MSSJ-MSJ01542.txt index 418a7039c51..6e1552c0a07 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01542.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01542.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01542 -RECORD_TITLE: Oxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+ +RECORD_TITLE: Oxazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VCCZBYPHZRWKFY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4617 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01543.txt b/MSSJ/MSBNK-MSSJ-MSJ01543.txt index fa70c725f08..fee52b94710 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01543.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01543.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01543 -RECORD_TITLE: Oxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+ +RECORD_TITLE: Oxazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VCCZBYPHZRWKFY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4617 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01544.txt b/MSSJ/MSBNK-MSSJ-MSJ01544.txt index b1c99b54855..a90ca741610 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01544.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01544.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01544 -RECORD_TITLE: Oxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+ +RECORD_TITLE: Oxazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VCCZBYPHZRWKFY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4617 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01545.txt b/MSSJ/MSBNK-MSSJ-MSJ01545.txt index 8ec4fe7112b..fc11a95398b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01545.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01545.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01545 -RECORD_TITLE: Oxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+ +RECORD_TITLE: Oxazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VCCZBYPHZRWKFY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4617 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01546.txt b/MSSJ/MSBNK-MSSJ-MSJ01546.txt index 1fec39e74a5..9b6f3fbf26c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01546.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01546.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01546 -RECORD_TITLE: Oxazolam; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Oxazolam; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VCCZBYPHZRWKFY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4617 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01547.txt b/MSSJ/MSBNK-MSSJ-MSJ01547.txt index 5a4cc678705..8391b4d526e 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01547.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01547.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01547 -RECORD_TITLE: Oxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 10 V; [M-H]- +RECORD_TITLE: Oxazolam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 10 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VCCZBYPHZRWKFY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4617 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01548.txt b/MSSJ/MSBNK-MSSJ-MSJ01548.txt index 8e34d7595c5..c4e2ae46e67 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01548.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01548.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01548 -RECORD_TITLE: Oxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 20 V; [M-H]- +RECORD_TITLE: Oxazolam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 20 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VCCZBYPHZRWKFY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4617 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01549.txt b/MSSJ/MSBNK-MSSJ-MSJ01549.txt index 83e66627d87..30c40ac6229 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01549.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01549.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01549 -RECORD_TITLE: Oxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 30 V; [M-H]- +RECORD_TITLE: Oxazolam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 30 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VCCZBYPHZRWKFY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4617 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01550.txt b/MSSJ/MSBNK-MSSJ-MSJ01550.txt index cb29a7b0d25..6de3338052a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01550.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01550.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01550 -RECORD_TITLE: Oxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 40 V; [M-H]- +RECORD_TITLE: Oxazolam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 40 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VCCZBYPHZRWKFY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4617 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01551.txt b/MSSJ/MSBNK-MSSJ-MSJ01551.txt index 4c117b096d1..8c379836d7c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01551.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01551.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01551 -RECORD_TITLE: Oxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 50 V; [M-H]- +RECORD_TITLE: Oxazolam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 50 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VCCZBYPHZRWKFY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4617 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01552.txt b/MSSJ/MSBNK-MSSJ-MSJ01552.txt index 318f5790b96..5b2925846b0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01552.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01552.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01552 -RECORD_TITLE: Quazepam; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Quazepam; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IKMPWMZBZSAONZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4999 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01553.txt b/MSSJ/MSBNK-MSSJ-MSJ01553.txt index 94e46e72351..001b443c4d4 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01553.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01553.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01553 -RECORD_TITLE: Quazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+ +RECORD_TITLE: Quazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IKMPWMZBZSAONZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4999 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01554.txt b/MSSJ/MSBNK-MSSJ-MSJ01554.txt index 6c3fd21f6ee..c6c257968a5 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01554.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01554.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01554 -RECORD_TITLE: Quazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+ +RECORD_TITLE: Quazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IKMPWMZBZSAONZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4999 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01555.txt b/MSSJ/MSBNK-MSSJ-MSJ01555.txt index d7ef6cbbb38..c0d44ae0cf0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01555.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01555.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01555 -RECORD_TITLE: Quazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+ +RECORD_TITLE: Quazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IKMPWMZBZSAONZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4999 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01556.txt b/MSSJ/MSBNK-MSSJ-MSJ01556.txt index 06eded3559c..1603dc40c04 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01556.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01556.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01556 -RECORD_TITLE: Quazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+ +RECORD_TITLE: Quazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IKMPWMZBZSAONZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4999 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01557.txt b/MSSJ/MSBNK-MSSJ-MSJ01557.txt index 58d0e7e2650..f5b7ce5e3a4 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01557.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01557.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01557 -RECORD_TITLE: Quazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+ +RECORD_TITLE: Quazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IKMPWMZBZSAONZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4999 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01558.txt b/MSSJ/MSBNK-MSSJ-MSJ01558.txt index 41671b2ef04..c8492ecc9a0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01558.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01558.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01558 -RECORD_TITLE: Quazepam; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Quazepam; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IKMPWMZBZSAONZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4999 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01559.txt b/MSSJ/MSBNK-MSSJ-MSJ01559.txt index 66d0be43b89..299832bfa95 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01559.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01559.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01559 -RECORD_TITLE: Quazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 10 V; [M-H]- +RECORD_TITLE: Quazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 10 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IKMPWMZBZSAONZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4999 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01560.txt b/MSSJ/MSBNK-MSSJ-MSJ01560.txt index 5ade5a80c03..bb88bd2056f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01560.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01560.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01560 -RECORD_TITLE: Quazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 20 V; [M-H]- +RECORD_TITLE: Quazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 20 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IKMPWMZBZSAONZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4999 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01561.txt b/MSSJ/MSBNK-MSSJ-MSJ01561.txt index c0c9a8aa433..a1694bfeb07 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01561.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01561.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01561 -RECORD_TITLE: Quazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 30 V; [M-H]- +RECORD_TITLE: Quazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 30 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IKMPWMZBZSAONZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4999 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01562.txt b/MSSJ/MSBNK-MSSJ-MSJ01562.txt index fd340f6f7b0..09e32005fb9 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01562.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01562.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01562 -RECORD_TITLE: Quazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 40 V; [M-H]- +RECORD_TITLE: Quazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 40 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IKMPWMZBZSAONZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4999 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01563.txt b/MSSJ/MSBNK-MSSJ-MSJ01563.txt index 64d3ed066bf..e9803424e69 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01563.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01563.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01563 -RECORD_TITLE: Quazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 50 V; [M-H]- +RECORD_TITLE: Quazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 50 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IKMPWMZBZSAONZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4999 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01564.txt b/MSSJ/MSBNK-MSSJ-MSJ01564.txt index 6032ca393eb..058d44b8551 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01564.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01564.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01564 -RECORD_TITLE: Cloxazolam; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Cloxazolam; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZIXNZOBDFKSQTC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2816 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01565.txt b/MSSJ/MSBNK-MSSJ-MSJ01565.txt index 043be72505c..612a297220a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01565.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01565.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01565 -RECORD_TITLE: Cloxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+ +RECORD_TITLE: Cloxazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZIXNZOBDFKSQTC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2816 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01566.txt b/MSSJ/MSBNK-MSSJ-MSJ01566.txt index 25b830005d1..a34366d7f0a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01566.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01566.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01566 -RECORD_TITLE: Cloxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+ +RECORD_TITLE: Cloxazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZIXNZOBDFKSQTC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2816 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01567.txt b/MSSJ/MSBNK-MSSJ-MSJ01567.txt index 3d211f794c6..392b32ec616 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01567.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01567.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01567 -RECORD_TITLE: Cloxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+ +RECORD_TITLE: Cloxazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZIXNZOBDFKSQTC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2816 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01568.txt b/MSSJ/MSBNK-MSSJ-MSJ01568.txt index e78a41ac786..85cfdec83a8 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01568.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01568.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01568 -RECORD_TITLE: Cloxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+ +RECORD_TITLE: Cloxazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZIXNZOBDFKSQTC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2816 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01569.txt b/MSSJ/MSBNK-MSSJ-MSJ01569.txt index 8d9ce12b8a0..82f40fdfad4 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01569.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01569.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01569 -RECORD_TITLE: Cloxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+ +RECORD_TITLE: Cloxazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZIXNZOBDFKSQTC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2816 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01570.txt b/MSSJ/MSBNK-MSSJ-MSJ01570.txt index 2ec912b73c6..b1356c3a9bc 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01570.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01570.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01570 -RECORD_TITLE: Cloxazolam; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Cloxazolam; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZIXNZOBDFKSQTC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2816 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01571.txt b/MSSJ/MSBNK-MSSJ-MSJ01571.txt index 145696536d1..3fbb583b68c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01571.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01571.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01571 -RECORD_TITLE: Cloxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 10 V; [M-H]- +RECORD_TITLE: Cloxazolam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 10 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZIXNZOBDFKSQTC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2816 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01572.txt b/MSSJ/MSBNK-MSSJ-MSJ01572.txt index 85d2dafb5ea..6c64dc101e2 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01572.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01572.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01572 -RECORD_TITLE: Cloxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 20 V; [M-H]- +RECORD_TITLE: Cloxazolam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 20 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZIXNZOBDFKSQTC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2816 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01573.txt b/MSSJ/MSBNK-MSSJ-MSJ01573.txt index 906d223c48f..cf75aa768eb 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01573.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01573.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01573 -RECORD_TITLE: Cloxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 30 V; [M-H]- +RECORD_TITLE: Cloxazolam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 30 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZIXNZOBDFKSQTC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2816 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01574.txt b/MSSJ/MSBNK-MSSJ-MSJ01574.txt index 16f123c4c80..0faf68920f7 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01574.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01574.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01574 -RECORD_TITLE: Cloxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 40 V; [M-H]- +RECORD_TITLE: Cloxazolam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 40 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZIXNZOBDFKSQTC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2816 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01575.txt b/MSSJ/MSBNK-MSSJ-MSJ01575.txt index 42230f513f3..26d4068caee 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01575.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01575.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01575 -RECORD_TITLE: Cloxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 50 V; [M-H]- +RECORD_TITLE: Cloxazolam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 50 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZIXNZOBDFKSQTC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2816 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01576.txt b/MSSJ/MSBNK-MSSJ-MSJ01576.txt index 14ec552badc..09247a34c83 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01576.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01576.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01576 -RECORD_TITLE: Clotiazepam; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Clotiazepam; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CHBRHODLKOZEPZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2811 CH$LINK: ChemOnt CHEMONTID:0002313; Organic compounds; Organoheterocyclic compounds; Thienodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01577.txt b/MSSJ/MSBNK-MSSJ-MSJ01577.txt index 6f5762c6911..934df13ca19 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01577.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01577.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01577 -RECORD_TITLE: Clotiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+ +RECORD_TITLE: Clotiazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CHBRHODLKOZEPZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2811 CH$LINK: ChemOnt CHEMONTID:0002313; Organic compounds; Organoheterocyclic compounds; Thienodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01578.txt b/MSSJ/MSBNK-MSSJ-MSJ01578.txt index 63a07bb8b91..eed282fb47e 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01578.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01578.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01578 -RECORD_TITLE: Clotiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+ +RECORD_TITLE: Clotiazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CHBRHODLKOZEPZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2811 CH$LINK: ChemOnt CHEMONTID:0002313; Organic compounds; Organoheterocyclic compounds; Thienodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01579.txt b/MSSJ/MSBNK-MSSJ-MSJ01579.txt index 74748546e8d..ae90a4db20f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01579.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01579.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01579 -RECORD_TITLE: Clotiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+ +RECORD_TITLE: Clotiazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CHBRHODLKOZEPZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2811 CH$LINK: ChemOnt CHEMONTID:0002313; Organic compounds; Organoheterocyclic compounds; Thienodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01580.txt b/MSSJ/MSBNK-MSSJ-MSJ01580.txt index a9178ec8fa9..a1807b9ed83 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01580.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01580.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01580 -RECORD_TITLE: Clotiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+ +RECORD_TITLE: Clotiazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CHBRHODLKOZEPZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2811 CH$LINK: ChemOnt CHEMONTID:0002313; Organic compounds; Organoheterocyclic compounds; Thienodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01581.txt b/MSSJ/MSBNK-MSSJ-MSJ01581.txt index 70d22578898..a4cec15b18f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01581.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01581.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01581 -RECORD_TITLE: Clotiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+ +RECORD_TITLE: Clotiazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CHBRHODLKOZEPZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2811 CH$LINK: ChemOnt CHEMONTID:0002313; Organic compounds; Organoheterocyclic compounds; Thienodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01582.txt b/MSSJ/MSBNK-MSSJ-MSJ01582.txt index 1ff62b62bff..c538d3b1ac4 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01582.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01582.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01582 -RECORD_TITLE: Clonazepam; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Clonazepam; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DGBIGWXXNGSACT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2802 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01583.txt b/MSSJ/MSBNK-MSSJ-MSJ01583.txt index 2ee94f60ae3..b9ef70cd985 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01583.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01583.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01583 -RECORD_TITLE: Clonazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+ +RECORD_TITLE: Clonazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DGBIGWXXNGSACT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2802 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01584.txt b/MSSJ/MSBNK-MSSJ-MSJ01584.txt index ea662886de7..036107261e0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01584.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01584.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01584 -RECORD_TITLE: Clonazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+ +RECORD_TITLE: Clonazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DGBIGWXXNGSACT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2802 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01585.txt b/MSSJ/MSBNK-MSSJ-MSJ01585.txt index 89e477fb3db..0713641677f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01585.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01585.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01585 -RECORD_TITLE: Clonazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+ +RECORD_TITLE: Clonazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DGBIGWXXNGSACT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2802 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01586.txt b/MSSJ/MSBNK-MSSJ-MSJ01586.txt index 79d53747378..cebca89f4e2 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01586.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01586.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01586 -RECORD_TITLE: Clonazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+ +RECORD_TITLE: Clonazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DGBIGWXXNGSACT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2802 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01587.txt b/MSSJ/MSBNK-MSSJ-MSJ01587.txt index 9c3362441ab..dbee8fa7b29 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01587.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01587.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01587 -RECORD_TITLE: Clonazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+ +RECORD_TITLE: Clonazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DGBIGWXXNGSACT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2802 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01588.txt b/MSSJ/MSBNK-MSSJ-MSJ01588.txt index d060e21b085..1fe7a23e6be 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01588.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01588.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01588 -RECORD_TITLE: Clonazepam; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Clonazepam; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DGBIGWXXNGSACT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2802 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01589.txt b/MSSJ/MSBNK-MSSJ-MSJ01589.txt index 1270741b08d..e896fe059ec 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01589.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01589.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01589 -RECORD_TITLE: Clonazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 10 V; [M-H]- +RECORD_TITLE: Clonazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 10 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DGBIGWXXNGSACT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2802 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01590.txt b/MSSJ/MSBNK-MSSJ-MSJ01590.txt index aaa3a2ee353..05e5da593db 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01590.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01590.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01590 -RECORD_TITLE: Clonazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 20 V; [M-H]- +RECORD_TITLE: Clonazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 20 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DGBIGWXXNGSACT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2802 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01591.txt b/MSSJ/MSBNK-MSSJ-MSJ01591.txt index 4f06a86a0fe..e5c8b6e3cfb 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01591.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01591.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01591 -RECORD_TITLE: Clonazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 30 V; [M-H]- +RECORD_TITLE: Clonazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 30 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DGBIGWXXNGSACT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2802 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01592.txt b/MSSJ/MSBNK-MSSJ-MSJ01592.txt index 1556a5cad81..a7ffe103d83 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01592.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01592.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01592 -RECORD_TITLE: Clonazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 40 V; [M-H]- +RECORD_TITLE: Clonazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 40 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DGBIGWXXNGSACT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2802 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01593.txt b/MSSJ/MSBNK-MSSJ-MSJ01593.txt index b39f3411bfd..aabb176fb44 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01593.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01593.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01593 -RECORD_TITLE: Clonazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 50 V; [M-H]- +RECORD_TITLE: Clonazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 50 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DGBIGWXXNGSACT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2802 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01594.txt b/MSSJ/MSBNK-MSSJ-MSJ01594.txt index f59c80480b4..09959a95c14 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01594.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01594.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01594 -RECORD_TITLE: Clobazam; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Clobazam; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CXOXHMZGEKVPMT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2789 CH$LINK: ChemOnt CHEMONTID:0000295; Organic compounds; Organoheterocyclic compounds; Benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01595.txt b/MSSJ/MSBNK-MSSJ-MSJ01595.txt index eff42388600..c4331ad763a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01595.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01595.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01595 -RECORD_TITLE: Clobazam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+ +RECORD_TITLE: Clobazam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CXOXHMZGEKVPMT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2789 CH$LINK: ChemOnt CHEMONTID:0000295; Organic compounds; Organoheterocyclic compounds; Benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01596.txt b/MSSJ/MSBNK-MSSJ-MSJ01596.txt index 151bf87f55d..7cafd96af17 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01596.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01596.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01596 -RECORD_TITLE: Clobazam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+ +RECORD_TITLE: Clobazam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CXOXHMZGEKVPMT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2789 CH$LINK: ChemOnt CHEMONTID:0000295; Organic compounds; Organoheterocyclic compounds; Benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01597.txt b/MSSJ/MSBNK-MSSJ-MSJ01597.txt index 2d2ad30d93d..3dc37db11bf 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01597.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01597.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01597 -RECORD_TITLE: Clobazam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+ +RECORD_TITLE: Clobazam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CXOXHMZGEKVPMT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2789 CH$LINK: ChemOnt CHEMONTID:0000295; Organic compounds; Organoheterocyclic compounds; Benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01598.txt b/MSSJ/MSBNK-MSSJ-MSJ01598.txt index 0cfa91d0fc8..7bd7373c759 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01598.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01598.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01598 -RECORD_TITLE: Clobazam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+ +RECORD_TITLE: Clobazam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CXOXHMZGEKVPMT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2789 CH$LINK: ChemOnt CHEMONTID:0000295; Organic compounds; Organoheterocyclic compounds; Benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01599.txt b/MSSJ/MSBNK-MSSJ-MSJ01599.txt index 355e59f95b3..eeef0120750 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01599.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01599.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01599 -RECORD_TITLE: Clobazam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+ +RECORD_TITLE: Clobazam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CXOXHMZGEKVPMT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2789 CH$LINK: ChemOnt CHEMONTID:0000295; Organic compounds; Organoheterocyclic compounds; Benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01600.txt b/MSSJ/MSBNK-MSSJ-MSJ01600.txt index 32f9ef1d27f..e43e7b0076d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01600.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01600.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01600 -RECORD_TITLE: Clobazam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 10 V; [M+NH4]+ +RECORD_TITLE: Clobazam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 10 V; [M+NH4]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CXOXHMZGEKVPMT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2789 CH$LINK: ChemOnt CHEMONTID:0000295; Organic compounds; Organoheterocyclic compounds; Benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01601.txt b/MSSJ/MSBNK-MSSJ-MSJ01601.txt index fa95ef950e0..28eaba769f3 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01601.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01601 -RECORD_TITLE: Clobazam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 20 V; [M+NH4]+ +RECORD_TITLE: Clobazam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 20 V; [M+NH4]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CXOXHMZGEKVPMT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2789 CH$LINK: ChemOnt CHEMONTID:0000295; Organic compounds; Organoheterocyclic compounds; Benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01602.txt b/MSSJ/MSBNK-MSSJ-MSJ01602.txt index c3b0ff8d18a..cf7f5bbf41b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01602.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01602 -RECORD_TITLE: Clobazam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+NH4]+ +RECORD_TITLE: Clobazam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 30 V; [M+NH4]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CXOXHMZGEKVPMT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2789 CH$LINK: ChemOnt CHEMONTID:0000295; Organic compounds; Organoheterocyclic compounds; Benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01603.txt b/MSSJ/MSBNK-MSSJ-MSJ01603.txt index a3eebfa8e2d..b832b8d296b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01603.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01603 -RECORD_TITLE: Clobazam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 40 V; [M+NH4]+ +RECORD_TITLE: Clobazam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 40 V; [M+NH4]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CXOXHMZGEKVPMT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2789 CH$LINK: ChemOnt CHEMONTID:0000295; Organic compounds; Organoheterocyclic compounds; Benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01604.txt b/MSSJ/MSBNK-MSSJ-MSJ01604.txt index 92380e326e3..c7020e61310 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01604.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01604 -RECORD_TITLE: Clobazam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+NH4]+ +RECORD_TITLE: Clobazam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 50 V; [M+NH4]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CXOXHMZGEKVPMT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2789 CH$LINK: ChemOnt CHEMONTID:0000295; Organic compounds; Organoheterocyclic compounds; Benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01605.txt b/MSSJ/MSBNK-MSSJ-MSJ01605.txt index f68e6ec2a1e..2d847d9c166 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01605.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01605 -RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BUCORZSTKDOEKQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2712 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01606.txt b/MSSJ/MSBNK-MSSJ-MSJ01606.txt index 06809217945..93e07ecfb0a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01606.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01606.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01606 -RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+ +RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 10 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BUCORZSTKDOEKQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2712 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01607.txt b/MSSJ/MSBNK-MSSJ-MSJ01607.txt index 88128faefae..f2a3600c972 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01607.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01607 -RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+ +RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 20 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BUCORZSTKDOEKQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2712 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01608.txt b/MSSJ/MSBNK-MSSJ-MSJ01608.txt index 144d056715c..e2067cf57d3 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01608.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01608 -RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+ +RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 30 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BUCORZSTKDOEKQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2712 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01609.txt b/MSSJ/MSBNK-MSSJ-MSJ01609.txt index 5bd4b094706..1752adb1ce9 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01609.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01609.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01609 -RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+ +RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 40 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BUCORZSTKDOEKQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2712 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01610.txt b/MSSJ/MSBNK-MSSJ-MSJ01610.txt index 475c30f6c40..998d1cf22af 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01610.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01610.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01610 -RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+ +RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BUCORZSTKDOEKQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2712 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01611.txt b/MSSJ/MSBNK-MSSJ-MSJ01611.txt index e6a42dbc262..12b6f900fb2 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01611.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01611.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01611 -RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BUCORZSTKDOEKQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2712 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01612.txt b/MSSJ/MSBNK-MSSJ-MSJ01612.txt index adc7a056acc..c71fd24c57c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01612.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01612.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01612 -RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 10 V; [M-H]- +RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 10 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BUCORZSTKDOEKQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2712 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01613.txt b/MSSJ/MSBNK-MSSJ-MSJ01613.txt index 7c84d1a4a84..f9fcab0bb4a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01613.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01613.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01613 -RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 20 V; [M-H]- +RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 20 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BUCORZSTKDOEKQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2712 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01614.txt b/MSSJ/MSBNK-MSSJ-MSJ01614.txt index e63e8474efc..44a843b7382 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01614.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01614.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01614 -RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 30 V; [M-H]- +RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 30 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BUCORZSTKDOEKQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2712 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01615.txt b/MSSJ/MSBNK-MSSJ-MSJ01615.txt index cf69219e7e7..f9fb2169c92 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01615.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01615.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01615 -RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 40 V; [M-H]- +RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 40 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BUCORZSTKDOEKQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2712 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01616.txt b/MSSJ/MSBNK-MSSJ-MSJ01616.txt index ebc236b52b7..42f832b91ce 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01616.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01616.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01616 -RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CE 50 V; [M-H]- +RECORD_TITLE: Chlordiazepoxide; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CE 50 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BUCORZSTKDOEKQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2712 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01617.txt b/MSSJ/MSBNK-MSSJ-MSJ01617.txt index a80ab39e59c..9a721f60706 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01617.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01617.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01617 -RECORD_TITLE: Bromazepam; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Bromazepam; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VMIYHDSEFNYJSL-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2441 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01618.txt b/MSSJ/MSBNK-MSSJ-MSJ01618.txt index eb619964d67..4ffee901d3f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01618.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01618.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01618 -RECORD_TITLE: Bromazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Bromazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VMIYHDSEFNYJSL-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2441 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01619.txt b/MSSJ/MSBNK-MSSJ-MSJ01619.txt index 57d0617df0e..eb37ff44430 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01619.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01619.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01619 -RECORD_TITLE: Bromazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID: CE 20 V; [M+H]+ +RECORD_TITLE: Bromazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID: CE 20 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VMIYHDSEFNYJSL-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2441 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01620.txt b/MSSJ/MSBNK-MSSJ-MSJ01620.txt index 2c710c1751d..fbd93b7a1c4 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01620.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01620.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01620 -RECORD_TITLE: Bromazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID: CE 30 V; [M+H]+ +RECORD_TITLE: Bromazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID: CE 30 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VMIYHDSEFNYJSL-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2441 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01621.txt b/MSSJ/MSBNK-MSSJ-MSJ01621.txt index 356e2f7bfdf..f2a46bd6399 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01621.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01621.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01621 -RECORD_TITLE: Bromazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID: CE 40 V; [M+H]+ +RECORD_TITLE: Bromazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID: CE 40 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VMIYHDSEFNYJSL-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2441 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01622.txt b/MSSJ/MSBNK-MSSJ-MSJ01622.txt index f4fbaf66783..c4a3d0459b0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01622.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01622.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01622 -RECORD_TITLE: Bromazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID: CE 50 V; [M+H]+ +RECORD_TITLE: Bromazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID: CE 50 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VMIYHDSEFNYJSL-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2441 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01623.txt b/MSSJ/MSBNK-MSSJ-MSJ01623.txt index cdba3382e2c..840e13c8343 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01623.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01623.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01623 -RECORD_TITLE: Bromazepam; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Bromazepam; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VMIYHDSEFNYJSL-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2441 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01624.txt b/MSSJ/MSBNK-MSSJ-MSJ01624.txt index 2cc9c6dad58..690f47691ba 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01624.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01624.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01624 -RECORD_TITLE: Bromazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Bromazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VMIYHDSEFNYJSL-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2441 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01625.txt b/MSSJ/MSBNK-MSSJ-MSJ01625.txt index adb32c81e3a..6a85f63eb9c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01625.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01625.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01625 -RECORD_TITLE: Bromazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Bromazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VMIYHDSEFNYJSL-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2441 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01626.txt b/MSSJ/MSBNK-MSSJ-MSJ01626.txt index 32726eb9076..d78b5e857a9 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01626.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01626.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01626 -RECORD_TITLE: Bromazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Bromazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VMIYHDSEFNYJSL-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2441 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01627.txt b/MSSJ/MSBNK-MSSJ-MSJ01627.txt index 080e2a60e12..c794e829a65 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01627.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01627.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01627 -RECORD_TITLE: Bromazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Bromazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VMIYHDSEFNYJSL-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2441 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01628.txt b/MSSJ/MSBNK-MSSJ-MSJ01628.txt index 3db7e65df76..98cd234d931 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01628.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01628.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01628 -RECORD_TITLE: Bromazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Bromazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.24 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VMIYHDSEFNYJSL-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2441 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01629.txt b/MSSJ/MSBNK-MSSJ-MSJ01629.txt index b7b59a7cd36..af8584abad3 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01629.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01629.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01629 -RECORD_TITLE: Temazepam; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Temazepam; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SEQDDYPDSLOBDC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5391 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01630.txt b/MSSJ/MSBNK-MSSJ-MSJ01630.txt index 734cb91b6d2..b1b4a75d4de 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01630.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01630.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01630 -RECORD_TITLE: Temazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Temazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SEQDDYPDSLOBDC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5391 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01631.txt b/MSSJ/MSBNK-MSSJ-MSJ01631.txt index 63812e945fb..50ad743042b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01631.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01631.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01631 -RECORD_TITLE: Temazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Temazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SEQDDYPDSLOBDC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5391 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01632.txt b/MSSJ/MSBNK-MSSJ-MSJ01632.txt index c95ef3b9364..42286b7e0cc 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01632.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01632.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01632 -RECORD_TITLE: Temazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Temazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SEQDDYPDSLOBDC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5391 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01633.txt b/MSSJ/MSBNK-MSSJ-MSJ01633.txt index 0a84acd5422..49fb2298842 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01633.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01633.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01633 -RECORD_TITLE: Temazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Temazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SEQDDYPDSLOBDC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5391 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01634.txt b/MSSJ/MSBNK-MSSJ-MSJ01634.txt index 5026b456aa4..9c9e8eca314 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01634.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01634.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01634 -RECORD_TITLE: Temazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Temazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SEQDDYPDSLOBDC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5391 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01635.txt b/MSSJ/MSBNK-MSSJ-MSJ01635.txt index 87fcaccced5..50b30dce84f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01635.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01635.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01635 -RECORD_TITLE: Triazolam; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Triazolam; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JOFWLTCLBGQGBO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5556 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01636.txt b/MSSJ/MSBNK-MSSJ-MSJ01636.txt index be6d01c7d65..2a93122261a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01636.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01636.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01636 -RECORD_TITLE: Triazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Triazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JOFWLTCLBGQGBO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5556 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01637.txt b/MSSJ/MSBNK-MSSJ-MSJ01637.txt index ef897d4c4e7..445918a40dd 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01637.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01637.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01637 -RECORD_TITLE: Triazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Triazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JOFWLTCLBGQGBO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5556 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01638.txt b/MSSJ/MSBNK-MSSJ-MSJ01638.txt index 52b092ec358..0cc7e789067 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01638.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01638.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01638 -RECORD_TITLE: Triazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Triazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JOFWLTCLBGQGBO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5556 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01639.txt b/MSSJ/MSBNK-MSSJ-MSJ01639.txt index dd46392888a..ebd0b731b0f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01639.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01639.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01639 -RECORD_TITLE: Triazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Triazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JOFWLTCLBGQGBO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5556 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01640.txt b/MSSJ/MSBNK-MSSJ-MSJ01640.txt index af1ee0c1470..ece9f81955c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01640.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01640.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01640 -RECORD_TITLE: Triazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Triazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JOFWLTCLBGQGBO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5556 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01641.txt b/MSSJ/MSBNK-MSSJ-MSJ01641.txt index b09e50b0027..6c8bab9330d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01641.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01641.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01641 -RECORD_TITLE: Nitrazepam; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Nitrazepam; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KJONHKAYOJNZEC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4506 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01642.txt b/MSSJ/MSBNK-MSSJ-MSJ01642.txt index e8ce72bec15..3a39dc5f177 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01642.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01642.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01642 -RECORD_TITLE: Nitrazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Nitrazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KJONHKAYOJNZEC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4506 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01643.txt b/MSSJ/MSBNK-MSSJ-MSJ01643.txt index 5297c9d6baa..39fb28ba71a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01643.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01643.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01643 -RECORD_TITLE: Nitrazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID: CE 20 V; [M+H]+ +RECORD_TITLE: Nitrazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID: CE 20 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KJONHKAYOJNZEC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4506 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01644.txt b/MSSJ/MSBNK-MSSJ-MSJ01644.txt index 2f43a2fd543..d7a0c5a868e 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01644.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01644.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01644 -RECORD_TITLE: Nitrazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Nitrazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KJONHKAYOJNZEC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4506 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01645.txt b/MSSJ/MSBNK-MSSJ-MSJ01645.txt index 977a217c9f8..ee76453baf4 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01645.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01645.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01645 -RECORD_TITLE: Nitrazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Nitrazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KJONHKAYOJNZEC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4506 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01646.txt b/MSSJ/MSBNK-MSSJ-MSJ01646.txt index a35bd96ff7b..353d8c91eae 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01646.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01646.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01646 -RECORD_TITLE: Nitrazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Nitrazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KJONHKAYOJNZEC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4506 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01647.txt b/MSSJ/MSBNK-MSSJ-MSJ01647.txt index 17c14fdf612..d15e5371513 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01647.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01647.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01647 -RECORD_TITLE: Nitrazepam; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Nitrazepam; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KJONHKAYOJNZEC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4506 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01648.txt b/MSSJ/MSBNK-MSSJ-MSJ01648.txt index 359b31f7ddf..383e3eb28e5 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01648.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01648.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01648 -RECORD_TITLE: Nitrazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Nitrazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KJONHKAYOJNZEC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4506 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01649.txt b/MSSJ/MSBNK-MSSJ-MSJ01649.txt index fdbcdb63335..17e9fef97aa 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01649.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01649.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01649 -RECORD_TITLE: Nitrazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Nitrazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KJONHKAYOJNZEC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4506 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01650.txt b/MSSJ/MSBNK-MSSJ-MSJ01650.txt index 753914b18bf..35c5248d824 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01650.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01650.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01650 -RECORD_TITLE: Nitrazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Nitrazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KJONHKAYOJNZEC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4506 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01651.txt b/MSSJ/MSBNK-MSSJ-MSJ01651.txt index bb6c25d2e82..fb225413509 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01651.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01651.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01651 -RECORD_TITLE: Nitrazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Nitrazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KJONHKAYOJNZEC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4506 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01652.txt b/MSSJ/MSBNK-MSSJ-MSJ01652.txt index b67d9315074..cf397d864f7 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01652.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01652.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01652 -RECORD_TITLE: Nitrazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID: CE 50 V; [M-H]- +RECORD_TITLE: Nitrazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID: CE 50 V; [M-H]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KJONHKAYOJNZEC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4506 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01653.txt b/MSSJ/MSBNK-MSSJ-MSJ01653.txt index 47141ab0f00..4ee3f4bff6d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01653.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01653.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01653 -RECORD_TITLE: Nimetazepam; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Nimetazepam; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GWUSZQUVEVMBPI-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4496 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01654.txt b/MSSJ/MSBNK-MSSJ-MSJ01654.txt index e6180f6369b..efe8e1fda4d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01654.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01654.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01654 -RECORD_TITLE: Nimetazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Nimetazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GWUSZQUVEVMBPI-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4496 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01655.txt b/MSSJ/MSBNK-MSSJ-MSJ01655.txt index 01c7c566b24..b72e5f76994 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01655.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01655.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01655 -RECORD_TITLE: Nimetazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Nimetazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GWUSZQUVEVMBPI-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4496 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01656.txt b/MSSJ/MSBNK-MSSJ-MSJ01656.txt index 2ed228409ba..a8010414063 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01656.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01656.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01656 -RECORD_TITLE: Nimetazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Nimetazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GWUSZQUVEVMBPI-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4496 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01657.txt b/MSSJ/MSBNK-MSSJ-MSJ01657.txt index 3224b792427..f9fe9968d10 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01657.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01657.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01657 -RECORD_TITLE: Nimetazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Nimetazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GWUSZQUVEVMBPI-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4496 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01658.txt b/MSSJ/MSBNK-MSSJ-MSJ01658.txt index d9510a26938..f44104c2237 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01658.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01658.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01658 -RECORD_TITLE: Nimetazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Nimetazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GWUSZQUVEVMBPI-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4496 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01659.txt b/MSSJ/MSBNK-MSSJ-MSJ01659.txt index 4b3ed8e758f..8df53a9df13 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01659.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01659.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01659 -RECORD_TITLE: Brotizolam; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Brotizolam; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UMSGKTJDUHERQW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2451 CH$LINK: ChemOnt CHEMONTID:0002313; Organic compounds; Organoheterocyclic compounds; Thienodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01660.txt b/MSSJ/MSBNK-MSSJ-MSJ01660.txt index 26442753543..e0f22509f8f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01660.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01660.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01660 -RECORD_TITLE: Brotizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Brotizolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UMSGKTJDUHERQW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2451 CH$LINK: ChemOnt CHEMONTID:0002313; Organic compounds; Organoheterocyclic compounds; Thienodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01661.txt b/MSSJ/MSBNK-MSSJ-MSJ01661.txt index 5cb44ff1eab..972ed01f6d2 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01661.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01661.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01661 -RECORD_TITLE: Brotizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Brotizolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UMSGKTJDUHERQW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2451 CH$LINK: ChemOnt CHEMONTID:0002313; Organic compounds; Organoheterocyclic compounds; Thienodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01662.txt b/MSSJ/MSBNK-MSSJ-MSJ01662.txt index 8e4bbae42df..39a43d6a5e3 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01662.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01662.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01662 -RECORD_TITLE: Brotizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Brotizolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UMSGKTJDUHERQW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2451 CH$LINK: ChemOnt CHEMONTID:0002313; Organic compounds; Organoheterocyclic compounds; Thienodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01663.txt b/MSSJ/MSBNK-MSSJ-MSJ01663.txt index 3a6d44c1b49..ecae151b1f6 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01663.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01663.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01663 -RECORD_TITLE: Brotizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Brotizolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UMSGKTJDUHERQW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2451 CH$LINK: ChemOnt CHEMONTID:0002313; Organic compounds; Organoheterocyclic compounds; Thienodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01664.txt b/MSSJ/MSBNK-MSSJ-MSJ01664.txt index 155f9b2737f..0241ca09725 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01664.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01664.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01664 -RECORD_TITLE: Brotizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Brotizolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UMSGKTJDUHERQW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2451 CH$LINK: ChemOnt CHEMONTID:0002313; Organic compounds; Organoheterocyclic compounds; Thienodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01665.txt b/MSSJ/MSBNK-MSSJ-MSJ01665.txt index 964de84cdf8..5b13550e08b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01665.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01665.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01665 -RECORD_TITLE: Brotizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ Isotopolog ion +RECORD_TITLE: Brotizolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ Isotopolog ion DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UMSGKTJDUHERQW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2451 CH$LINK: ChemOnt CHEMONTID:0002313; Organic compounds; Organoheterocyclic compounds; Thienodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01666.txt b/MSSJ/MSBNK-MSSJ-MSJ01666.txt index c2c3af98051..31fa61583aa 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01666.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01666.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01666 -RECORD_TITLE: Brotizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ Isotopolog ion +RECORD_TITLE: Brotizolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ Isotopolog ion DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UMSGKTJDUHERQW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2451 CH$LINK: ChemOnt CHEMONTID:0002313; Organic compounds; Organoheterocyclic compounds; Thienodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01667.txt b/MSSJ/MSBNK-MSSJ-MSJ01667.txt index 52b9b520e30..4aa883933f4 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01667.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01667.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01667 -RECORD_TITLE: Brotizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ Isotopolog ion +RECORD_TITLE: Brotizolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ Isotopolog ion DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UMSGKTJDUHERQW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2451 CH$LINK: ChemOnt CHEMONTID:0002313; Organic compounds; Organoheterocyclic compounds; Thienodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01668.txt b/MSSJ/MSBNK-MSSJ-MSJ01668.txt index 75c20cd69aa..301bbb88219 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01668.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01668.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01668 -RECORD_TITLE: Brotizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ Isotopolog ion +RECORD_TITLE: Brotizolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ Isotopolog ion DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UMSGKTJDUHERQW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2451 CH$LINK: ChemOnt CHEMONTID:0002313; Organic compounds; Organoheterocyclic compounds; Thienodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01669.txt b/MSSJ/MSBNK-MSSJ-MSJ01669.txt index edca1a45f77..f7ed3e5e147 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01669.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01669.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01669 -RECORD_TITLE: Brotizolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ Isotopolog ion +RECORD_TITLE: Brotizolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ Isotopolog ion DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UMSGKTJDUHERQW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2451 CH$LINK: ChemOnt CHEMONTID:0002313; Organic compounds; Organoheterocyclic compounds; Thienodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01670.txt b/MSSJ/MSBNK-MSSJ-MSJ01670.txt index d5695c85945..f321d3d286d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01670.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01670.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01670 -RECORD_TITLE: Flunitrazepam; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Flunitrazepam; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PPTYJKAXVCCBDU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3380 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01671.txt b/MSSJ/MSBNK-MSSJ-MSJ01671.txt index b1b670b9b98..1fc7e3ef137 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01671.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01671.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01671 -RECORD_TITLE: Flunitrazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Flunitrazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PPTYJKAXVCCBDU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3380 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01672.txt b/MSSJ/MSBNK-MSSJ-MSJ01672.txt index 0beece8ab4a..a1e548fbfc4 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01672.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01672.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01672 -RECORD_TITLE: Flunitrazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Flunitrazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PPTYJKAXVCCBDU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3380 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01673.txt b/MSSJ/MSBNK-MSSJ-MSJ01673.txt index 4eea7f93653..8183a88fb09 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01673.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01673.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01673 -RECORD_TITLE: Flunitrazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Flunitrazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PPTYJKAXVCCBDU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3380 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01674.txt b/MSSJ/MSBNK-MSSJ-MSJ01674.txt index 4b23f10c507..379a531050e 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01674.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01674.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01674 -RECORD_TITLE: Flunitrazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Flunitrazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PPTYJKAXVCCBDU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3380 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01675.txt b/MSSJ/MSBNK-MSSJ-MSJ01675.txt index b29b3ca651f..3795e8c0c55 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01675.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01675.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01675 -RECORD_TITLE: Flunitrazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Flunitrazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PPTYJKAXVCCBDU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3380 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01676.txt b/MSSJ/MSBNK-MSSJ-MSJ01676.txt index 651a57735aa..9ddd2576604 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01676.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01676.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01676 -RECORD_TITLE: Flutoprazepam; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Flutoprazepam; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY OFVXPDXXVSGEPX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3400 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01677.txt b/MSSJ/MSBNK-MSSJ-MSJ01677.txt index bb8d7eedde6..86d5be6bd06 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01677.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01677.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01677 -RECORD_TITLE: Flutoprazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Flutoprazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY OFVXPDXXVSGEPX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3400 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01678.txt b/MSSJ/MSBNK-MSSJ-MSJ01678.txt index 092d57b7616..507b66edd17 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01678.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01678.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01678 -RECORD_TITLE: Flutoprazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Flutoprazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY OFVXPDXXVSGEPX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3400 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01679.txt b/MSSJ/MSBNK-MSSJ-MSJ01679.txt index 9c669c21b5a..5a8713174e5 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01679.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01679.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01679 -RECORD_TITLE: Flutoprazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Flutoprazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY OFVXPDXXVSGEPX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3400 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01680.txt b/MSSJ/MSBNK-MSSJ-MSJ01680.txt index 14d3b3b13b1..ac99f19aab5 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01680.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01680.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01680 -RECORD_TITLE: Flutoprazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Flutoprazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY OFVXPDXXVSGEPX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3400 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01681.txt b/MSSJ/MSBNK-MSSJ-MSJ01681.txt index 1943aa43088..8b1573dcc9d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01681.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01681.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01681 -RECORD_TITLE: Flutoprazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Flutoprazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY OFVXPDXXVSGEPX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3400 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01682.txt b/MSSJ/MSBNK-MSSJ-MSJ01682.txt index c38a46fa9f9..bf5541739d9 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01682.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01682.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01682 -RECORD_TITLE: Fludiazepam; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Fludiazepam; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ROYOYTLGDLIGBX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3369 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01683.txt b/MSSJ/MSBNK-MSSJ-MSJ01683.txt index 288a289479f..698e274d3e1 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01683.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01683.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01683 -RECORD_TITLE: Fludiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Fludiazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ROYOYTLGDLIGBX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3369 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01684.txt b/MSSJ/MSBNK-MSSJ-MSJ01684.txt index e5f196f110c..0007ae97dc6 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01684.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01684.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01684 -RECORD_TITLE: Fludiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Fludiazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ROYOYTLGDLIGBX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3369 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01685.txt b/MSSJ/MSBNK-MSSJ-MSJ01685.txt index 302f1014b6c..2d11241af6a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01685.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01685.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01685 -RECORD_TITLE: Fludiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Fludiazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ROYOYTLGDLIGBX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3369 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01686.txt b/MSSJ/MSBNK-MSSJ-MSJ01686.txt index 637ebe74781..26d3496ca47 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01686.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01686.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01686 -RECORD_TITLE: Fludiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Fludiazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ROYOYTLGDLIGBX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3369 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01687.txt b/MSSJ/MSBNK-MSSJ-MSJ01687.txt index d00cc82acdd..5a41a55cb51 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01687.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01687.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01687 -RECORD_TITLE: Fludiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Fludiazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ROYOYTLGDLIGBX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3369 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01688.txt b/MSSJ/MSBNK-MSSJ-MSJ01688.txt index c223621f2c0..16ab0974d15 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01688.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01688.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01688 -RECORD_TITLE: Haloxazolam; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Haloxazolam; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XDKCGKQHVBOOHC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3563 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01689.txt b/MSSJ/MSBNK-MSSJ-MSJ01689.txt index 0777ae1256d..f4a41f4c86f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01689.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01689.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01689 -RECORD_TITLE: Haloxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Haloxazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XDKCGKQHVBOOHC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3563 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01690.txt b/MSSJ/MSBNK-MSSJ-MSJ01690.txt index d1f1f4dff1b..b4b9a0b4b7e 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01690.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01690.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01690 -RECORD_TITLE: Haloxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Haloxazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XDKCGKQHVBOOHC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3563 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01691.txt b/MSSJ/MSBNK-MSSJ-MSJ01691.txt index c19e17a9ccd..f5213c6e83c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01691.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01691.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01691 -RECORD_TITLE: Haloxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Haloxazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XDKCGKQHVBOOHC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3563 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01692.txt b/MSSJ/MSBNK-MSSJ-MSJ01692.txt index 867d781cfce..9570ce4840b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01692.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01692.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01692 -RECORD_TITLE: Haloxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Haloxazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XDKCGKQHVBOOHC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3563 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01693.txt b/MSSJ/MSBNK-MSSJ-MSJ01693.txt index c77bc4e4f07..98952768d44 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01693.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01693.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01693 -RECORD_TITLE: Haloxazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Haloxazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XDKCGKQHVBOOHC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3563 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01694.txt b/MSSJ/MSBNK-MSSJ-MSJ01694.txt index 553a4d5d99d..046221cc950 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01694.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01694.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01694 -RECORD_TITLE: Haloxazolam; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Haloxazolam; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XDKCGKQHVBOOHC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3563 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01695.txt b/MSSJ/MSBNK-MSSJ-MSJ01695.txt index 17ac8fd76ea..91f15b6ca6a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01695.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01695.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01695 -RECORD_TITLE: Haloxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Haloxazolam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XDKCGKQHVBOOHC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3563 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01696.txt b/MSSJ/MSBNK-MSSJ-MSJ01696.txt index 7aff7f29eb6..48f17c25c8c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01696.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01696.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01696 -RECORD_TITLE: Haloxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Haloxazolam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XDKCGKQHVBOOHC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3563 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01697.txt b/MSSJ/MSBNK-MSSJ-MSJ01697.txt index db5997457b8..e3a8fab39dd 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01697.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01697.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01697 -RECORD_TITLE: Haloxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Haloxazolam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XDKCGKQHVBOOHC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3563 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01698.txt b/MSSJ/MSBNK-MSSJ-MSJ01698.txt index fc7733cc2c7..343ade3ccb1 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01698.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01698.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01698 -RECORD_TITLE: Haloxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Haloxazolam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XDKCGKQHVBOOHC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3563 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01699.txt b/MSSJ/MSBNK-MSSJ-MSJ01699.txt index 6ff2f585f08..b612cb3079d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01699.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01699.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01699 -RECORD_TITLE: Haloxazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Haloxazolam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XDKCGKQHVBOOHC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3563 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01700.txt b/MSSJ/MSBNK-MSSJ-MSJ01700.txt index fb29dbe498a..fbc3f074182 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01700.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01700.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01700 -RECORD_TITLE: Nordiazepam; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Nordiazepam; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY AKPLHCDWDRPJGD-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2997 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01701.txt b/MSSJ/MSBNK-MSSJ-MSJ01701.txt index e935ae26852..61c731f7c7c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01701.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01701 -RECORD_TITLE: Nordiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Nordiazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY AKPLHCDWDRPJGD-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2997 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01702.txt b/MSSJ/MSBNK-MSSJ-MSJ01702.txt index 5d0bf6c0093..61c83571b21 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01702.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01702 -RECORD_TITLE: Nordiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Nordiazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY AKPLHCDWDRPJGD-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2997 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01703.txt b/MSSJ/MSBNK-MSSJ-MSJ01703.txt index 830d3a83dac..fab5ff755ea 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01703.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01703 -RECORD_TITLE: Nordiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Nordiazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY AKPLHCDWDRPJGD-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2997 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01704.txt b/MSSJ/MSBNK-MSSJ-MSJ01704.txt index 212f98ee40d..c2e659b8cd0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01704.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01704 -RECORD_TITLE: Nordiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Nordiazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY AKPLHCDWDRPJGD-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2997 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01705.txt b/MSSJ/MSBNK-MSSJ-MSJ01705.txt index 94840ea4531..d305dcb0b91 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01705.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01705 -RECORD_TITLE: Nordiazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Nordiazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY AKPLHCDWDRPJGD-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2997 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01706.txt b/MSSJ/MSBNK-MSSJ-MSJ01706.txt index 45fd0f4fd95..50eed06cfb8 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01706.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01706.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01706 -RECORD_TITLE: Nordiazepam; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Nordiazepam; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY AKPLHCDWDRPJGD-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2997 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01707.txt b/MSSJ/MSBNK-MSSJ-MSJ01707.txt index 88a08f266fa..c92d4499f99 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01707.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01707 -RECORD_TITLE: Nordiazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Nordiazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY AKPLHCDWDRPJGD-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2997 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01708.txt b/MSSJ/MSBNK-MSSJ-MSJ01708.txt index 5c29793603b..cd51a4b3d5c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01708.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01708 -RECORD_TITLE: Nordiazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Nordiazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY AKPLHCDWDRPJGD-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2997 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01709.txt b/MSSJ/MSBNK-MSSJ-MSJ01709.txt index a5043672b25..628eebbd5e7 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01709.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01709.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01709 -RECORD_TITLE: Nordiazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Nordiazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY AKPLHCDWDRPJGD-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2997 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01710.txt b/MSSJ/MSBNK-MSSJ-MSJ01710.txt index c02f1ec19cf..36763f86a79 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01710.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01710.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01710 -RECORD_TITLE: Nordiazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Nordiazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY AKPLHCDWDRPJGD-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2997 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01711.txt b/MSSJ/MSBNK-MSSJ-MSJ01711.txt index 41a717fda15..c6a95f1b739 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01711.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01711.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01711 -RECORD_TITLE: Nordiazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Nordiazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY AKPLHCDWDRPJGD-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2997 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01712.txt b/MSSJ/MSBNK-MSSJ-MSJ01712.txt index d6b4567110b..ac73a67daea 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01712.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01712.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01712 -RECORD_TITLE: Midazolam; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Midazolam; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DDLIGBOFAVUZHB-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4192 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01713.txt b/MSSJ/MSBNK-MSSJ-MSJ01713.txt index c309d9ea33b..5ce46b44991 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01713.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01713.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01713 -RECORD_TITLE: Midazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Midazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DDLIGBOFAVUZHB-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4192 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01714.txt b/MSSJ/MSBNK-MSSJ-MSJ01714.txt index 750713288de..0acf3af21bf 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01714.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01714.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01714 -RECORD_TITLE: Midazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Midazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DDLIGBOFAVUZHB-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4192 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01715.txt b/MSSJ/MSBNK-MSSJ-MSJ01715.txt index 2732a7460e1..30dab1f5e57 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01715.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01715.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01715 -RECORD_TITLE: Midazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Midazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DDLIGBOFAVUZHB-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4192 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01716.txt b/MSSJ/MSBNK-MSSJ-MSJ01716.txt index b8ff85c67cb..0a3fc14dd72 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01716.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01716.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01716 -RECORD_TITLE: Midazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Midazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DDLIGBOFAVUZHB-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4192 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01717.txt b/MSSJ/MSBNK-MSSJ-MSJ01717.txt index 91c0e2e2523..fd5745cd1de 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01717.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01717.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01717 -RECORD_TITLE: Midazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Midazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DDLIGBOFAVUZHB-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4192 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01718.txt b/MSSJ/MSBNK-MSSJ-MSJ01718.txt index b46bd13244d..5f69cdfbb93 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01718.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01718.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01718 -RECORD_TITLE: Mexazolam; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Mexazolam; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ANUCDXCTICZJRH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4177 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01719.txt b/MSSJ/MSBNK-MSSJ-MSJ01719.txt index 84c815e4375..d3cabf43ea0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01719.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01719.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01719 -RECORD_TITLE: Mexazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Mexazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ANUCDXCTICZJRH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4177 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01720.txt b/MSSJ/MSBNK-MSSJ-MSJ01720.txt index 1db6320d534..28cd77cc65c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01720.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01720.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01720 -RECORD_TITLE: Mexazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Mexazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ANUCDXCTICZJRH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4177 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01721.txt b/MSSJ/MSBNK-MSSJ-MSJ01721.txt index a48e2db89fa..01dd92c881f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01721.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01721.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01721 -RECORD_TITLE: Mexazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Mexazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ANUCDXCTICZJRH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4177 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01722.txt b/MSSJ/MSBNK-MSSJ-MSJ01722.txt index 53c2d958844..af2c5689c95 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01722.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01722.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01722 -RECORD_TITLE: Mexazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Mexazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ANUCDXCTICZJRH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4177 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01723.txt b/MSSJ/MSBNK-MSSJ-MSJ01723.txt index 43c8f81b60c..45543d36d6b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01723.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01723.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01723 -RECORD_TITLE: Mexazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Mexazolam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ANUCDXCTICZJRH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4177 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01724.txt b/MSSJ/MSBNK-MSSJ-MSJ01724.txt index 95d77da1c0c..1d8acecb083 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01724.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01724.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01724 -RECORD_TITLE: Mexazolam; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Mexazolam; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ANUCDXCTICZJRH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4177 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01725.txt b/MSSJ/MSBNK-MSSJ-MSJ01725.txt index e7c7dedb827..065860ca84f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01725.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01725.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01725 -RECORD_TITLE: Mexazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Mexazolam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ANUCDXCTICZJRH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4177 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01726.txt b/MSSJ/MSBNK-MSSJ-MSJ01726.txt index 2bdffa50dc9..45872fec6dd 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01726.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01726.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01726 -RECORD_TITLE: Mexazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Mexazolam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ANUCDXCTICZJRH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4177 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01727.txt b/MSSJ/MSBNK-MSSJ-MSJ01727.txt index d93045283eb..22dd36447a1 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01727.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01727.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01727 -RECORD_TITLE: Mexazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Mexazolam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ANUCDXCTICZJRH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4177 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01728.txt b/MSSJ/MSBNK-MSSJ-MSJ01728.txt index 9e47dd876a1..e2bb9b3dc7b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01728.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01728.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01728 -RECORD_TITLE: Mexazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Mexazolam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ANUCDXCTICZJRH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4177 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01729.txt b/MSSJ/MSBNK-MSSJ-MSJ01729.txt index cadac2e9f93..647cb80e2b5 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01729.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01729.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01729 -RECORD_TITLE: Mexazolam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Mexazolam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ANUCDXCTICZJRH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4177 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01730.txt b/MSSJ/MSBNK-MSSJ-MSJ01730.txt index ff445c335f3..eb93176414c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01730.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01730.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01730 -RECORD_TITLE: Medazepam; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Medazepam; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YLCXGBZIZBEVPZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4041 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01731.txt b/MSSJ/MSBNK-MSSJ-MSJ01731.txt index b3d007e78fb..1d4874ff82b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01731.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01731.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01731 -RECORD_TITLE: Medazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Medazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YLCXGBZIZBEVPZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4041 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01732.txt b/MSSJ/MSBNK-MSSJ-MSJ01732.txt index 735a0bb04e0..10713144898 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01732.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01732.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01732 -RECORD_TITLE: Medazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Medazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YLCXGBZIZBEVPZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4041 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01733.txt b/MSSJ/MSBNK-MSSJ-MSJ01733.txt index b0ba4d1a2d8..002aa9b1921 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01733.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01733.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01733 -RECORD_TITLE: Medazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Medazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YLCXGBZIZBEVPZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4041 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01734.txt b/MSSJ/MSBNK-MSSJ-MSJ01734.txt index 2c9a2d6e58a..98490f2d758 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01734.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01734.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01734 -RECORD_TITLE: Medazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Medazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YLCXGBZIZBEVPZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4041 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01735.txt b/MSSJ/MSBNK-MSSJ-MSJ01735.txt index 3c9bf16575c..f92d8370fdd 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01735.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01735.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01735 -RECORD_TITLE: Medazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Medazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YLCXGBZIZBEVPZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4041 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01736.txt b/MSSJ/MSBNK-MSSJ-MSJ01736.txt index b82373343a9..fd2f72b4575 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01736.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01736.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01736 -RECORD_TITLE: Lormetazepam; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Lormetazepam; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FJIKWRGCXUCUIG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:13314 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01737.txt b/MSSJ/MSBNK-MSSJ-MSJ01737.txt index be387e3584b..c9605710c41 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01737.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01737.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01737 -RECORD_TITLE: Lormetazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Lormetazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FJIKWRGCXUCUIG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:13314 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01738.txt b/MSSJ/MSBNK-MSSJ-MSJ01738.txt index d49ff0bee3d..96f143148cb 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01738.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01738.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01738 -RECORD_TITLE: Lormetazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Lormetazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FJIKWRGCXUCUIG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:13314 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01739.txt b/MSSJ/MSBNK-MSSJ-MSJ01739.txt index fd772a3d2ab..305bdd423b8 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01739.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01739.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01739 -RECORD_TITLE: Lormetazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Lormetazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FJIKWRGCXUCUIG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:13314 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01740.txt b/MSSJ/MSBNK-MSSJ-MSJ01740.txt index b8f22092c8a..4cd25d174cf 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01740.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01740.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01740 -RECORD_TITLE: Lormetazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Lormetazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FJIKWRGCXUCUIG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:13314 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01741.txt b/MSSJ/MSBNK-MSSJ-MSJ01741.txt index 1f413ec6541..484d982426c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01741.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01741.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01741 -RECORD_TITLE: Lormetazepam; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Lormetazepam; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FJIKWRGCXUCUIG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:13314 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01742.txt b/MSSJ/MSBNK-MSSJ-MSJ01742.txt index f6f7c5598c9..d8201d584fb 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01742.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01742.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01742 -RECORD_TITLE: Lormetazepam; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Lormetazepam; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FJIKWRGCXUCUIG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:13314 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01743.txt b/MSSJ/MSBNK-MSSJ-MSJ01743.txt index 6131cda614f..4a87e5549fe 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01743.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01743.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01743 -RECORD_TITLE: Lormetazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Lormetazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FJIKWRGCXUCUIG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:13314 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01744.txt b/MSSJ/MSBNK-MSSJ-MSJ01744.txt index 1768e5abb9c..cfb76758bf8 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01744.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01744.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01744 -RECORD_TITLE: Lormetazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Lormetazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FJIKWRGCXUCUIG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:13314 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01745.txt b/MSSJ/MSBNK-MSSJ-MSJ01745.txt index eade1a6deb4..a9d15fd6d68 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01745.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01745.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01745 -RECORD_TITLE: Lormetazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Lormetazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FJIKWRGCXUCUIG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:13314 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01746.txt b/MSSJ/MSBNK-MSSJ-MSJ01746.txt index 27a07db9ca1..b5bd5f53c2c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01746.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01746.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01746 -RECORD_TITLE: Lormetazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Lormetazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FJIKWRGCXUCUIG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:13314 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01747.txt b/MSSJ/MSBNK-MSSJ-MSJ01747.txt index 44dea3f82d5..6b61cab3530 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01747.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01747.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01747 -RECORD_TITLE: Lormetazepam; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Lormetazepam; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FJIKWRGCXUCUIG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:13314 CH$LINK: ChemOnt CHEMONTID:0004097; Organic compounds; Organoheterocyclic compounds; Benzodiazepines; 1,4-benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01748.txt b/MSSJ/MSBNK-MSSJ-MSJ01748.txt index 517914a0eb9..1d0b9bcd36f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01748.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01748.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01748 -RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Rilmazafone; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5069 CH$LINK: ChemOnt CHEMONTID:0000120; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01749.txt b/MSSJ/MSBNK-MSSJ-MSJ01749.txt index 436cd63c38e..113672f5efe 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01749.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01749.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01749 -RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Rilmazafone; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5069 CH$LINK: ChemOnt CHEMONTID:0000120; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01750.txt b/MSSJ/MSBNK-MSSJ-MSJ01750.txt index 0626f4605e6..1dcb4f1d339 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01750.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01750.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01750 -RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Rilmazafone; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5069 CH$LINK: ChemOnt CHEMONTID:0000120; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01751.txt b/MSSJ/MSBNK-MSSJ-MSJ01751.txt index d66cd44fb3d..a0bb57fe2eb 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01751.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01751.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01751 -RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Rilmazafone; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5069 CH$LINK: ChemOnt CHEMONTID:0000120; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01752.txt b/MSSJ/MSBNK-MSSJ-MSJ01752.txt index ab7d108f58b..70d25cc03a2 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01752.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01752.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01752 -RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Rilmazafone; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5069 CH$LINK: ChemOnt CHEMONTID:0000120; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01753.txt b/MSSJ/MSBNK-MSSJ-MSJ01753.txt index 25cb9c790ec..13619805e8c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01753.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01753.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01753 -RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Rilmazafone; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5069 CH$LINK: ChemOnt CHEMONTID:0000120; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01754.txt b/MSSJ/MSBNK-MSSJ-MSJ01754.txt index 2e186c6bc94..c3cc717473b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01754.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01754.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01754 -RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Rilmazafone; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5069 CH$LINK: ChemOnt CHEMONTID:0000120; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01755.txt b/MSSJ/MSBNK-MSSJ-MSJ01755.txt index 51b6408857d..272b80dc30f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01755.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01755.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01755 -RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Rilmazafone; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5069 CH$LINK: ChemOnt CHEMONTID:0000120; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01756.txt b/MSSJ/MSBNK-MSSJ-MSJ01756.txt index 1efdb1062a6..9a11d033393 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01756.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01756.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01756 -RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Rilmazafone; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5069 CH$LINK: ChemOnt CHEMONTID:0000120; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01757.txt b/MSSJ/MSBNK-MSSJ-MSJ01757.txt index 4ccfc2da2d2..8e60d153576 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01757.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01757.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01757 -RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Rilmazafone; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5069 CH$LINK: ChemOnt CHEMONTID:0000120; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01758.txt b/MSSJ/MSBNK-MSSJ-MSJ01758.txt index 985db7729af..313f38dfcc6 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01758.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01758.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01758 -RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Rilmazafone; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5069 CH$LINK: ChemOnt CHEMONTID:0000120; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01759.txt b/MSSJ/MSBNK-MSSJ-MSJ01759.txt index 4f8e626f66b..b91845ec781 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01759.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01759.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01759 -RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Rilmazafone; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5069 CH$LINK: ChemOnt CHEMONTID:0000120; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01760.txt b/MSSJ/MSBNK-MSSJ-MSJ01760.txt index 0425f77409d..ff96db111dd 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01760.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01760.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01760 -RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M+HCO2-]- +RECORD_TITLE: Rilmazafone; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M+HCO2-]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5069 CH$LINK: ChemOnt CHEMONTID:0000120; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01761.txt b/MSSJ/MSBNK-MSSJ-MSJ01761.txt index a2976f12c69..12cfcb7e2e8 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01761.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01761.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01761 -RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M+HCO2-]- +RECORD_TITLE: Rilmazafone; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M+HCO2-]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5069 CH$LINK: ChemOnt CHEMONTID:0000120; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01762.txt b/MSSJ/MSBNK-MSSJ-MSJ01762.txt index cff5cd22075..c7b7d69c544 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01762.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01762.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01762 -RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M+HCO2-]- +RECORD_TITLE: Rilmazafone; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M+HCO2-]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5069 CH$LINK: ChemOnt CHEMONTID:0000120; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01763.txt b/MSSJ/MSBNK-MSSJ-MSJ01763.txt index 8a82cb048ab..99b36559bfe 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01763.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01763.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01763 -RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M+HCO2-]- +RECORD_TITLE: Rilmazafone; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M+HCO2-]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5069 CH$LINK: ChemOnt CHEMONTID:0000120; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01764.txt b/MSSJ/MSBNK-MSSJ-MSJ01764.txt index 49abecd9789..e1d01e7bf0b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01764.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01764.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01764 -RECORD_TITLE: Rilmazafone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M+HCO2-]- +RECORD_TITLE: Rilmazafone; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M+HCO2-]- DATE: 2023.03.27 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KYHFRCPLIGODFH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5069 CH$LINK: ChemOnt CHEMONTID:0000120; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzophenones AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01765.txt b/MSSJ/MSBNK-MSSJ-MSJ01765.txt index 6a6f0a278d8..1272629cbd4 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01765.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01765.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01765 -RECORD_TITLE: Acetazolamide; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Acetazolamide; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BZKPWHYZMXOIDC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1986 CH$LINK: ChemOnt CHEMONTID:0000093; Organic compounds; Organoheterocyclic compounds; Azoles; Thiadiazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01766.txt b/MSSJ/MSBNK-MSSJ-MSJ01766.txt index ead5bf32ef3..fac1d65961c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01766.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01766.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01766 -RECORD_TITLE: Acetazolamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Acetazolamide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BZKPWHYZMXOIDC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1986 CH$LINK: ChemOnt CHEMONTID:0000093; Organic compounds; Organoheterocyclic compounds; Azoles; Thiadiazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01767.txt b/MSSJ/MSBNK-MSSJ-MSJ01767.txt index bf9fa646340..8c35ec2a9b7 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01767.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01767.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01767 -RECORD_TITLE: Acetazolamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Acetazolamide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BZKPWHYZMXOIDC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1986 CH$LINK: ChemOnt CHEMONTID:0000093; Organic compounds; Organoheterocyclic compounds; Azoles; Thiadiazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01768.txt b/MSSJ/MSBNK-MSSJ-MSJ01768.txt index 564d254e4f0..e2222d06c5b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01768.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01768.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01768 -RECORD_TITLE: Acetazolamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Acetazolamide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BZKPWHYZMXOIDC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1986 CH$LINK: ChemOnt CHEMONTID:0000093; Organic compounds; Organoheterocyclic compounds; Azoles; Thiadiazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01769.txt b/MSSJ/MSBNK-MSSJ-MSJ01769.txt index 22be6e3d13d..920a92b0c4b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01769.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01769.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01769 -RECORD_TITLE: Acetazolamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Acetazolamide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BZKPWHYZMXOIDC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1986 CH$LINK: ChemOnt CHEMONTID:0000093; Organic compounds; Organoheterocyclic compounds; Azoles; Thiadiazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01770.txt b/MSSJ/MSBNK-MSSJ-MSJ01770.txt index 19575ecef79..eec08d7ec70 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01770.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01770.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01770 -RECORD_TITLE: Acetazolamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Acetazolamide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BZKPWHYZMXOIDC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1986 CH$LINK: ChemOnt CHEMONTID:0000093; Organic compounds; Organoheterocyclic compounds; Azoles; Thiadiazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01771.txt b/MSSJ/MSBNK-MSSJ-MSJ01771.txt index 123d3cae33c..666e1bb1dca 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01771.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01771.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01771 -RECORD_TITLE: Acetazolamide; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Acetazolamide; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BZKPWHYZMXOIDC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1986 CH$LINK: ChemOnt CHEMONTID:0000093; Organic compounds; Organoheterocyclic compounds; Azoles; Thiadiazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01772.txt b/MSSJ/MSBNK-MSSJ-MSJ01772.txt index 42b13270e99..4000ac46bfa 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01772.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01772.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01772 -RECORD_TITLE: Acetazolamide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Acetazolamide; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BZKPWHYZMXOIDC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1986 CH$LINK: ChemOnt CHEMONTID:0000093; Organic compounds; Organoheterocyclic compounds; Azoles; Thiadiazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01773.txt b/MSSJ/MSBNK-MSSJ-MSJ01773.txt index 54206c1b4e6..6da17b8681b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01773.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01773.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01773 -RECORD_TITLE: Acetazolamide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Acetazolamide; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BZKPWHYZMXOIDC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1986 CH$LINK: ChemOnt CHEMONTID:0000093; Organic compounds; Organoheterocyclic compounds; Azoles; Thiadiazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01774.txt b/MSSJ/MSBNK-MSSJ-MSJ01774.txt index c97f11081f0..6daf8178076 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01774.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01774.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01774 -RECORD_TITLE: Acetazolamide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Acetazolamide; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BZKPWHYZMXOIDC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1986 CH$LINK: ChemOnt CHEMONTID:0000093; Organic compounds; Organoheterocyclic compounds; Azoles; Thiadiazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01775.txt b/MSSJ/MSBNK-MSSJ-MSJ01775.txt index b5280bf1109..af116f98ce9 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01775.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01775.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01775 -RECORD_TITLE: Acetazolamide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Acetazolamide; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BZKPWHYZMXOIDC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1986 CH$LINK: ChemOnt CHEMONTID:0000093; Organic compounds; Organoheterocyclic compounds; Azoles; Thiadiazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01776.txt b/MSSJ/MSBNK-MSSJ-MSJ01776.txt index 8de06dc753a..5b22df07562 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01776.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01776.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01776 -RECORD_TITLE: Acetazolamide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Acetazolamide; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BZKPWHYZMXOIDC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1986 CH$LINK: ChemOnt CHEMONTID:0000093; Organic compounds; Organoheterocyclic compounds; Azoles; Thiadiazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01777.txt b/MSSJ/MSBNK-MSSJ-MSJ01777.txt index 0c40a9d9731..c9403e50657 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01777.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01777.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01777 -RECORD_TITLE: Acetylpheneturide; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Acetylpheneturide; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GBPZSCQLDXUGNO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1999 CH$LINK: ChemOnt CHEMONTID:0000517; Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Ureas AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01778.txt b/MSSJ/MSBNK-MSSJ-MSJ01778.txt index 102a0e0b596..e68ad28fec7 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01778.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01778.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01778 -RECORD_TITLE: Acetylpheneturide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Acetylpheneturide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GBPZSCQLDXUGNO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1999 CH$LINK: ChemOnt CHEMONTID:0000517; Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Ureas AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01779.txt b/MSSJ/MSBNK-MSSJ-MSJ01779.txt index a952a4995e5..8a3f6996713 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01779.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01779.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01779 -RECORD_TITLE: Acetylpheneturide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Acetylpheneturide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GBPZSCQLDXUGNO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1999 CH$LINK: ChemOnt CHEMONTID:0000517; Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Ureas AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01780.txt b/MSSJ/MSBNK-MSSJ-MSJ01780.txt index f563d78c0b4..2ed38a2fb2f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01780.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01780.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01780 -RECORD_TITLE: Acetylpheneturide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Acetylpheneturide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GBPZSCQLDXUGNO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1999 CH$LINK: ChemOnt CHEMONTID:0000517; Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Ureas AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01781.txt b/MSSJ/MSBNK-MSSJ-MSJ01781.txt index 33b04a658fc..543297b5a79 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01781.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01781.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01781 -RECORD_TITLE: Acetylpheneturide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Acetylpheneturide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GBPZSCQLDXUGNO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1999 CH$LINK: ChemOnt CHEMONTID:0000517; Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Ureas AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01782.txt b/MSSJ/MSBNK-MSSJ-MSJ01782.txt index f80addfbc5b..d7859f87195 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01782.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01782.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01782 -RECORD_TITLE: Acetylpheneturide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Acetylpheneturide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GBPZSCQLDXUGNO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1999 CH$LINK: ChemOnt CHEMONTID:0000517; Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Ureas AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01783.txt b/MSSJ/MSBNK-MSSJ-MSJ01783.txt index ecfd003d7f1..b91d4a6efaf 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01783.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01783.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01783 -RECORD_TITLE: Acetylpheneturide; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Acetylpheneturide; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GBPZSCQLDXUGNO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1999 CH$LINK: ChemOnt CHEMONTID:0000517; Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Ureas AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01784.txt b/MSSJ/MSBNK-MSSJ-MSJ01784.txt index f8c33ec561e..878da8fa814 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01784.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01784.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01784 -RECORD_TITLE: Acetylpheneturide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Acetylpheneturide; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GBPZSCQLDXUGNO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1999 CH$LINK: ChemOnt CHEMONTID:0000517; Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Ureas AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01785.txt b/MSSJ/MSBNK-MSSJ-MSJ01785.txt index c6c6d3f636f..900519411b8 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01785.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01785.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01785 -RECORD_TITLE: Acetylpheneturide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Acetylpheneturide; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GBPZSCQLDXUGNO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1999 CH$LINK: ChemOnt CHEMONTID:0000517; Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Ureas AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01786.txt b/MSSJ/MSBNK-MSSJ-MSJ01786.txt index c08da313067..e6a7b7c9141 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01786.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01786.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01786 -RECORD_TITLE: Acetylpheneturide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Acetylpheneturide; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GBPZSCQLDXUGNO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1999 CH$LINK: ChemOnt CHEMONTID:0000517; Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Ureas AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01787.txt b/MSSJ/MSBNK-MSSJ-MSJ01787.txt index fe9b8f58f42..c55db667646 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01787.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01787.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01787 -RECORD_TITLE: Acetylpheneturide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Acetylpheneturide; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GBPZSCQLDXUGNO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1999 CH$LINK: ChemOnt CHEMONTID:0000517; Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Ureas AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01788.txt b/MSSJ/MSBNK-MSSJ-MSJ01788.txt index 1f12ae944f9..b3e33e80bf0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01788.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01788.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01788 -RECORD_TITLE: Acetylpheneturide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Acetylpheneturide; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GBPZSCQLDXUGNO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1999 CH$LINK: ChemOnt CHEMONTID:0000517; Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Ureas AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01789.txt b/MSSJ/MSBNK-MSSJ-MSJ01789.txt index bc00e7fa798..1a4c503b056 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01789.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01789.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01789 -RECORD_TITLE: Acetaminophen; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Acetaminophen; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1983 CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01790.txt b/MSSJ/MSBNK-MSSJ-MSJ01790.txt index 81400a97fe4..968821c97b1 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01790.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01790.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01790 -RECORD_TITLE: Acetaminophen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Acetaminophen; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1983 CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01791.txt b/MSSJ/MSBNK-MSSJ-MSJ01791.txt index 020c42decd3..a4f36d58ba3 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01791.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01791.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01791 -RECORD_TITLE: Acetaminophen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Acetaminophen; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1983 CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01792.txt b/MSSJ/MSBNK-MSSJ-MSJ01792.txt index a35cac19961..26ab347ec83 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01792.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01792.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01792 -RECORD_TITLE: Acetaminophen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Acetaminophen; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1983 CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01793.txt b/MSSJ/MSBNK-MSSJ-MSJ01793.txt index 9ba7ffd80ef..efa74ca50ed 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01793.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01793.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01793 -RECORD_TITLE: Acetaminophen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Acetaminophen; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1983 CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01794.txt b/MSSJ/MSBNK-MSSJ-MSJ01794.txt index a9758de7656..9f2d800435e 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01794.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01794.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01794 -RECORD_TITLE: Acetaminophen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Acetaminophen; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1983 CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01795.txt b/MSSJ/MSBNK-MSSJ-MSJ01795.txt index f1b8de90b67..a5df2beb83b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01795.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01795.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01795 -RECORD_TITLE: Acetaminophen; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Acetaminophen; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1983 CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01796.txt b/MSSJ/MSBNK-MSSJ-MSJ01796.txt index c0971fc6b75..3cc4bd69d33 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01796.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01796.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01796 -RECORD_TITLE: Acetaminophen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Acetaminophen; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1983 CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01797.txt b/MSSJ/MSBNK-MSSJ-MSJ01797.txt index b410e2f37d9..8f91f4c0874 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01797.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01797.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01797 -RECORD_TITLE: Acetaminophen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Acetaminophen; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1983 CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01798.txt b/MSSJ/MSBNK-MSSJ-MSJ01798.txt index 4a472688dc9..ab8b0a99012 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01798.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01798.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01798 -RECORD_TITLE: Acetaminophen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Acetaminophen; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1983 CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01799.txt b/MSSJ/MSBNK-MSSJ-MSJ01799.txt index b90a62cd7d0..6a820c611fa 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01799.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01799.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01799 -RECORD_TITLE: Acetaminophen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Acetaminophen; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1983 CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01800.txt b/MSSJ/MSBNK-MSSJ-MSJ01800.txt index 921c076f969..16838ace80d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01800.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01800.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01800 -RECORD_TITLE: Acetaminophen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Acetaminophen; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1983 CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01801.txt b/MSSJ/MSBNK-MSSJ-MSJ01801.txt index 9597d276769..9de96f9ce9f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01801.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01801 -RECORD_TITLE: Acemetacin; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Acemetacin; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FSQKKOOTNAMONP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1981 CH$LINK: ChemOnt CHEMONTID:0001753; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01802.txt b/MSSJ/MSBNK-MSSJ-MSJ01802.txt index b98d5ba69b8..3913b5e88ff 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01802.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01802 -RECORD_TITLE: Acemetacin; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Acemetacin; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FSQKKOOTNAMONP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1981 CH$LINK: ChemOnt CHEMONTID:0001753; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01803.txt b/MSSJ/MSBNK-MSSJ-MSJ01803.txt index 47c464d4894..93b63f110e2 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01803.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01803 -RECORD_TITLE: Acemetacin; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Acemetacin; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FSQKKOOTNAMONP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1981 CH$LINK: ChemOnt CHEMONTID:0001753; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01804.txt b/MSSJ/MSBNK-MSSJ-MSJ01804.txt index 2a74b626add..ed35ad1e05d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01804.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01804 -RECORD_TITLE: Acemetacin; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Acemetacin; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FSQKKOOTNAMONP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1981 CH$LINK: ChemOnt CHEMONTID:0001753; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01805.txt b/MSSJ/MSBNK-MSSJ-MSJ01805.txt index de391a1e9b9..087f6537373 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01805.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01805 -RECORD_TITLE: Acemetacin; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Acemetacin; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FSQKKOOTNAMONP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1981 CH$LINK: ChemOnt CHEMONTID:0001753; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01806.txt b/MSSJ/MSBNK-MSSJ-MSJ01806.txt index e38221c89b9..278c99f7d06 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01806.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01806.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01806 -RECORD_TITLE: Acemetacin; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Acemetacin; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FSQKKOOTNAMONP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1981 CH$LINK: ChemOnt CHEMONTID:0001753; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01807.txt b/MSSJ/MSBNK-MSSJ-MSJ01807.txt index ad527836639..d78f2dde464 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01807.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01807 -RECORD_TITLE: Acemetacin; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Acemetacin; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FSQKKOOTNAMONP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1981 CH$LINK: ChemOnt CHEMONTID:0001753; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01808.txt b/MSSJ/MSBNK-MSSJ-MSJ01808.txt index d15afa9746d..d866dd38dff 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01808.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01808 -RECORD_TITLE: Acemetacin; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Acemetacin; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FSQKKOOTNAMONP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1981 CH$LINK: ChemOnt CHEMONTID:0001753; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01809.txt b/MSSJ/MSBNK-MSSJ-MSJ01809.txt index df7d0608272..9320f2cb580 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01809.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01809.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01809 -RECORD_TITLE: Acemetacin; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Acemetacin; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FSQKKOOTNAMONP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1981 CH$LINK: ChemOnt CHEMONTID:0001753; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01810.txt b/MSSJ/MSBNK-MSSJ-MSJ01810.txt index 5c391e08cd7..a6c64cbfd21 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01810.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01810.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01810 -RECORD_TITLE: Acemetacin; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Acemetacin; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FSQKKOOTNAMONP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1981 CH$LINK: ChemOnt CHEMONTID:0001753; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01811.txt b/MSSJ/MSBNK-MSSJ-MSJ01811.txt index 467a7ab6c75..4d58b4b0bc0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01811.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01811.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01811 -RECORD_TITLE: Acemetacin; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Acemetacin; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FSQKKOOTNAMONP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1981 CH$LINK: ChemOnt CHEMONTID:0001753; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01812.txt b/MSSJ/MSBNK-MSSJ-MSJ01812.txt index d56b09a64ba..3fd0da103fb 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01812.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01812.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01812 -RECORD_TITLE: Acemetacin; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Acemetacin; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FSQKKOOTNAMONP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:1981 CH$LINK: ChemOnt CHEMONTID:0001753; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01813.txt b/MSSJ/MSBNK-MSSJ-MSJ01813.txt index d0249195c30..20bead03b85 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01813.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01813.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01813 -RECORD_TITLE: Azelnidipine; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Azelnidipine; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZKFQEACEUNWPMT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:65948 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01814.txt b/MSSJ/MSBNK-MSSJ-MSJ01814.txt index d19f11b790e..f0b46032ce2 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01814.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01814.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01814 -RECORD_TITLE: Azelnidipine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Azelnidipine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZKFQEACEUNWPMT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:65948 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01815.txt b/MSSJ/MSBNK-MSSJ-MSJ01815.txt index e1d8dac6d9d..526bebf195f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01815.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01815.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01815 -RECORD_TITLE: Azelnidipine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Azelnidipine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZKFQEACEUNWPMT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:65948 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01816.txt b/MSSJ/MSBNK-MSSJ-MSJ01816.txt index 90ecec29c13..7896180da7f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01816.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01816.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01816 -RECORD_TITLE: Azelnidipine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Azelnidipine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZKFQEACEUNWPMT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:65948 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01817.txt b/MSSJ/MSBNK-MSSJ-MSJ01817.txt index 0bacceb5ba2..0852c1d72a5 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01817.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01817.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01817 -RECORD_TITLE: Azelnidipine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Azelnidipine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZKFQEACEUNWPMT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:65948 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01818.txt b/MSSJ/MSBNK-MSSJ-MSJ01818.txt index b24040d9a10..d15507ff6c5 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01818.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01818.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01818 -RECORD_TITLE: Azelnidipine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Azelnidipine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZKFQEACEUNWPMT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:65948 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01819.txt b/MSSJ/MSBNK-MSSJ-MSJ01819.txt index 395789abb19..c422d8bc8b3 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01819.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01819.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01819 -RECORD_TITLE: Azelnidipine; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Azelnidipine; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZKFQEACEUNWPMT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:65948 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01820.txt b/MSSJ/MSBNK-MSSJ-MSJ01820.txt index 94b1f8afafd..34036ccb393 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01820.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01820.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01820 -RECORD_TITLE: Azelnidipine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Azelnidipine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZKFQEACEUNWPMT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:65948 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01821.txt b/MSSJ/MSBNK-MSSJ-MSJ01821.txt index 93e89d7e0ae..dee470b3247 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01821.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01821.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01821 -RECORD_TITLE: Azelnidipine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Azelnidipine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZKFQEACEUNWPMT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:65948 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01822.txt b/MSSJ/MSBNK-MSSJ-MSJ01822.txt index 0298448a766..6c6fc572cf4 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01822.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01822.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01822 -RECORD_TITLE: Azelnidipine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Azelnidipine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZKFQEACEUNWPMT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:65948 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01823.txt b/MSSJ/MSBNK-MSSJ-MSJ01823.txt index dbf66010bae..1855ce2e95e 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01823.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01823.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01823 -RECORD_TITLE: Azelnidipine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Azelnidipine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZKFQEACEUNWPMT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:65948 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01824.txt b/MSSJ/MSBNK-MSSJ-MSJ01824.txt index 60907858d47..a913efffcc1 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01824.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01824.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01824 -RECORD_TITLE: Azelnidipine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Azelnidipine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZKFQEACEUNWPMT-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:65948 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01825.txt b/MSSJ/MSBNK-MSSJ-MSJ01825.txt index b4b9c3fbdfc..5468575881d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01825.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01825.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01825 -RECORD_TITLE: Amantadine; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Amantadine; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2130 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01826.txt b/MSSJ/MSBNK-MSSJ-MSJ01826.txt index aea7c81fbb9..f55843d4e30 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01826.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01826.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01826 -RECORD_TITLE: Amantadine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Amantadine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2130 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01827.txt b/MSSJ/MSBNK-MSSJ-MSJ01827.txt index 64091b6ba0d..e69a9ced145 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01827.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01827.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01827 -RECORD_TITLE: Amantadine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Amantadine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2130 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01828.txt b/MSSJ/MSBNK-MSSJ-MSJ01828.txt index 547e7d5740c..eeb77f88d0e 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01828.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01828.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01828 -RECORD_TITLE: Amantadine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Amantadine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2130 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01829.txt b/MSSJ/MSBNK-MSSJ-MSJ01829.txt index 4b254394d13..6c4905ab6aa 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01829.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01829.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01829 -RECORD_TITLE: Amantadine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Amantadine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2130 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01830.txt b/MSSJ/MSBNK-MSSJ-MSJ01830.txt index aa65df0756f..0c432c289cf 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01830.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01830.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01830 -RECORD_TITLE: Amantadine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Amantadine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2130 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01831.txt b/MSSJ/MSBNK-MSSJ-MSJ01831.txt index 8b7a9abe989..1d35783dcad 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01831.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01831.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01831 -RECORD_TITLE: Amlodipine; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Amlodipine; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HTIQEAQVCYTUBX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2162 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01832.txt b/MSSJ/MSBNK-MSSJ-MSJ01832.txt index 90c29fdee97..a6fe13c5d3b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01832.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01832.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01832 -RECORD_TITLE: Amlodipine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Amlodipine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HTIQEAQVCYTUBX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2162 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01833.txt b/MSSJ/MSBNK-MSSJ-MSJ01833.txt index 8c882d88e9d..6ddda2f329c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01833.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01833.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01833 -RECORD_TITLE: Amlodipine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Amlodipine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HTIQEAQVCYTUBX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2162 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01834.txt b/MSSJ/MSBNK-MSSJ-MSJ01834.txt index 810a76902ea..b5b8975a72e 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01834.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01834.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01834 -RECORD_TITLE: Amlodipine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Amlodipine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HTIQEAQVCYTUBX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2162 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01835.txt b/MSSJ/MSBNK-MSSJ-MSJ01835.txt index cb6e5a3b28b..c53d7114c41 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01835.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01835.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01835 -RECORD_TITLE: Amlodipine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Amlodipine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HTIQEAQVCYTUBX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2162 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01836.txt b/MSSJ/MSBNK-MSSJ-MSJ01836.txt index f0501f6e3d3..7ed0f6879a6 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01836.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01836.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01836 -RECORD_TITLE: Amlodipine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Amlodipine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HTIQEAQVCYTUBX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2162 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01837.txt b/MSSJ/MSBNK-MSSJ-MSJ01837.txt index 2b0e81019d5..a48d0177ccb 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01837.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01837.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01837 -RECORD_TITLE: Amlodipine; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Amlodipine; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HTIQEAQVCYTUBX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2162 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01838.txt b/MSSJ/MSBNK-MSSJ-MSJ01838.txt index 6154c710582..866b7081d79 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01838.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01838.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01838 -RECORD_TITLE: Amlodipine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Amlodipine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HTIQEAQVCYTUBX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2162 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01839.txt b/MSSJ/MSBNK-MSSJ-MSJ01839.txt index 2a847c2c468..c54fa31379d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01839.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01839.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01839 -RECORD_TITLE: Amlodipine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Amlodipine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HTIQEAQVCYTUBX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2162 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01840.txt b/MSSJ/MSBNK-MSSJ-MSJ01840.txt index 554a565e01a..18a7c8851a3 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01840.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01840.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01840 -RECORD_TITLE: Amlodipine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Amlodipine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HTIQEAQVCYTUBX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2162 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01841.txt b/MSSJ/MSBNK-MSSJ-MSJ01841.txt index 57c93a28f31..41eacad29a4 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01841.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01841.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01841 -RECORD_TITLE: Amlodipine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Amlodipine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HTIQEAQVCYTUBX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2162 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01842.txt b/MSSJ/MSBNK-MSSJ-MSJ01842.txt index 2e423a49bb3..890331e0468 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01842.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01842.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01842 -RECORD_TITLE: Amlodipine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Amlodipine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HTIQEAQVCYTUBX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2162 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01843.txt b/MSSJ/MSBNK-MSSJ-MSJ01843.txt index 40149d0435e..9b0429340e0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01843.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01843.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01843 -RECORD_TITLE: Amezinium; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Amezinium; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VXROHTDSRBRJLN-UHFFFAOYSA-O CH$LINK: PUBCHEM CID:71927 CH$LINK: ChemOnt CHEMONTID:0000074; Organic compounds; Organoheterocyclic compounds; Diazines; Pyridazines and derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01844.txt b/MSSJ/MSBNK-MSSJ-MSJ01844.txt index 16999f046d6..64b930704ba 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01844.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01844.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01844 -RECORD_TITLE: Amezinium; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M]+ +RECORD_TITLE: Amezinium; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VXROHTDSRBRJLN-UHFFFAOYSA-O CH$LINK: PUBCHEM CID:71927 CH$LINK: ChemOnt CHEMONTID:0000074; Organic compounds; Organoheterocyclic compounds; Diazines; Pyridazines and derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01845.txt b/MSSJ/MSBNK-MSSJ-MSJ01845.txt index 6b0b1cc2adf..57109936ead 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01845.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01845.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01845 -RECORD_TITLE: Amezinium; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M]+ +RECORD_TITLE: Amezinium; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VXROHTDSRBRJLN-UHFFFAOYSA-O CH$LINK: PUBCHEM CID:71927 CH$LINK: ChemOnt CHEMONTID:0000074; Organic compounds; Organoheterocyclic compounds; Diazines; Pyridazines and derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01846.txt b/MSSJ/MSBNK-MSSJ-MSJ01846.txt index a37aa1ca745..9e1f87383cc 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01846.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01846.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01846 -RECORD_TITLE: Amezinium; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M]+ +RECORD_TITLE: Amezinium; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VXROHTDSRBRJLN-UHFFFAOYSA-O CH$LINK: PUBCHEM CID:71927 CH$LINK: ChemOnt CHEMONTID:0000074; Organic compounds; Organoheterocyclic compounds; Diazines; Pyridazines and derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01847.txt b/MSSJ/MSBNK-MSSJ-MSJ01847.txt index 78a96ae13d6..98936bccd5c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01847.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01847.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01847 -RECORD_TITLE: Amezinium; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M]+ +RECORD_TITLE: Amezinium; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VXROHTDSRBRJLN-UHFFFAOYSA-O CH$LINK: PUBCHEM CID:71927 CH$LINK: ChemOnt CHEMONTID:0000074; Organic compounds; Organoheterocyclic compounds; Diazines; Pyridazines and derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01848.txt b/MSSJ/MSBNK-MSSJ-MSJ01848.txt index ca240436467..588a04836ba 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01848.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01848.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01848 -RECORD_TITLE: Amezinium; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M]+ +RECORD_TITLE: Amezinium; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VXROHTDSRBRJLN-UHFFFAOYSA-O CH$LINK: PUBCHEM CID:71927 CH$LINK: ChemOnt CHEMONTID:0000074; Organic compounds; Organoheterocyclic compounds; Diazines; Pyridazines and derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01849.txt b/MSSJ/MSBNK-MSSJ-MSJ01849.txt index d60f71dafc8..17d1d25ab38 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01849.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01849.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01849 -RECORD_TITLE: Amoxapine; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Amoxapine; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QWGDMFLQWFTERH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2170 CH$LINK: ChemOnt CHEMONTID:0000150; Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01850.txt b/MSSJ/MSBNK-MSSJ-MSJ01850.txt index 27a80b553d7..7d7cfbd2cc4 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01850.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01850.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01850 -RECORD_TITLE: Amoxapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Amoxapine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QWGDMFLQWFTERH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2170 CH$LINK: ChemOnt CHEMONTID:0000150; Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01851.txt b/MSSJ/MSBNK-MSSJ-MSJ01851.txt index c0473d5e5f0..2882875c4d2 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01851.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01851.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01851 -RECORD_TITLE: Amoxapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Amoxapine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QWGDMFLQWFTERH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2170 CH$LINK: ChemOnt CHEMONTID:0000150; Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01852.txt b/MSSJ/MSBNK-MSSJ-MSJ01852.txt index 218a4d1245c..7350aa831dd 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01852.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01852.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01852 -RECORD_TITLE: Amoxapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Amoxapine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QWGDMFLQWFTERH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2170 CH$LINK: ChemOnt CHEMONTID:0000150; Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01853.txt b/MSSJ/MSBNK-MSSJ-MSJ01853.txt index 7e9d8d29cb7..2341c870d31 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01853.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01853.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01853 -RECORD_TITLE: Amoxapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Amoxapine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QWGDMFLQWFTERH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2170 CH$LINK: ChemOnt CHEMONTID:0000150; Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01854.txt b/MSSJ/MSBNK-MSSJ-MSJ01854.txt index c705955de6e..dc95453a847 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01854.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01854.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01854 -RECORD_TITLE: Amoxapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Amoxapine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QWGDMFLQWFTERH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2170 CH$LINK: ChemOnt CHEMONTID:0000150; Organic compounds; Organoheterocyclic compounds; Benzoxazepines; Dibenzoxazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01855.txt b/MSSJ/MSBNK-MSSJ-MSJ01855.txt index f534828b4cc..6c57edfb139 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01855.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01855.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01855 -RECORD_TITLE: Amobarbital; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Amobarbital; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VIROVYVQCGLCII-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2164 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01856.txt b/MSSJ/MSBNK-MSSJ-MSJ01856.txt index f96a932a221..4eaab9afbc2 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01856.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01856.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01856 -RECORD_TITLE: Amobarbital; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Amobarbital; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VIROVYVQCGLCII-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2164 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01857.txt b/MSSJ/MSBNK-MSSJ-MSJ01857.txt index e7c24d04698..b1a93fb8e34 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01857.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01857.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01857 -RECORD_TITLE: Amobarbital; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Amobarbital; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VIROVYVQCGLCII-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2164 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01858.txt b/MSSJ/MSBNK-MSSJ-MSJ01858.txt index b84320e1afb..a4553620685 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01858.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01858.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01858 -RECORD_TITLE: Amobarbital; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Amobarbital; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VIROVYVQCGLCII-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2164 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01859.txt b/MSSJ/MSBNK-MSSJ-MSJ01859.txt index 7d7a66347a2..e9454bb557d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01859.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01859.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01859 -RECORD_TITLE: Amobarbital; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Amobarbital; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VIROVYVQCGLCII-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2164 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01860.txt b/MSSJ/MSBNK-MSSJ-MSJ01860.txt index 95a96322b0a..f19ad3dded1 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01860.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01860.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01860 -RECORD_TITLE: Amobarbital; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Amobarbital; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY VIROVYVQCGLCII-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2164 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01861.txt b/MSSJ/MSBNK-MSSJ-MSJ01861.txt index dcd18c7759b..2c335dd622a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01861.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01861.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01861 -RECORD_TITLE: Trimeprazine; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Trimeprazine; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZZHLYYDVIOPZBE-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5574 CH$LINK: ChemOnt CHEMONTID:0000310; Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01862.txt b/MSSJ/MSBNK-MSSJ-MSJ01862.txt index 7f3b70afcf8..557cb4a485b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01862.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01862.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01862 -RECORD_TITLE: Trimeprazine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Trimeprazine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZZHLYYDVIOPZBE-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5574 CH$LINK: ChemOnt CHEMONTID:0000310; Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01863.txt b/MSSJ/MSBNK-MSSJ-MSJ01863.txt index 9e0b344bc52..15d1bdf7cb5 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01863.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01863.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01863 -RECORD_TITLE: Trimeprazine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Trimeprazine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZZHLYYDVIOPZBE-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5574 CH$LINK: ChemOnt CHEMONTID:0000310; Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01864.txt b/MSSJ/MSBNK-MSSJ-MSJ01864.txt index e6bab71d6c1..3d701eabdee 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01864.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01864.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01864 -RECORD_TITLE: Trimeprazine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Trimeprazine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZZHLYYDVIOPZBE-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5574 CH$LINK: ChemOnt CHEMONTID:0000310; Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01865.txt b/MSSJ/MSBNK-MSSJ-MSJ01865.txt index 9aa6cfb2968..4a4d6af47bf 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01865.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01865.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01865 -RECORD_TITLE: Trimeprazine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Trimeprazine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZZHLYYDVIOPZBE-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5574 CH$LINK: ChemOnt CHEMONTID:0000310; Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01866.txt b/MSSJ/MSBNK-MSSJ-MSJ01866.txt index ad167923df7..687bdf538dc 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01866.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01866.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01866 -RECORD_TITLE: Trimeprazine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Trimeprazine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ZZHLYYDVIOPZBE-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5574 CH$LINK: ChemOnt CHEMONTID:0000310; Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01867.txt b/MSSJ/MSBNK-MSSJ-MSJ01867.txt index 5d4932486dc..b0729a09d21 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01867.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01867.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01867 -RECORD_TITLE: Propyphenazone; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Propyphenazone; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PXWLVJLKJGVOKE-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3778 CH$LINK: ChemOnt CHEMONTID:0000087; Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01868.txt b/MSSJ/MSBNK-MSSJ-MSJ01868.txt index 81744565233..48efb8a2e1c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01868.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01868.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01868 -RECORD_TITLE: Propyphenazone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Propyphenazone; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PXWLVJLKJGVOKE-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3778 CH$LINK: ChemOnt CHEMONTID:0000087; Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01869.txt b/MSSJ/MSBNK-MSSJ-MSJ01869.txt index f17a6396720..1fcc1181934 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01869.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01869.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01869 -RECORD_TITLE: Propyphenazone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Propyphenazone; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PXWLVJLKJGVOKE-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3778 CH$LINK: ChemOnt CHEMONTID:0000087; Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01870.txt b/MSSJ/MSBNK-MSSJ-MSJ01870.txt index c95206f8031..33481b9606a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01870.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01870.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01870 -RECORD_TITLE: Propyphenazone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Propyphenazone; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PXWLVJLKJGVOKE-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3778 CH$LINK: ChemOnt CHEMONTID:0000087; Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01871.txt b/MSSJ/MSBNK-MSSJ-MSJ01871.txt index 36634852a98..5e7e747982f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01871.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01871.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01871 -RECORD_TITLE: Propyphenazone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Propyphenazone; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PXWLVJLKJGVOKE-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3778 CH$LINK: ChemOnt CHEMONTID:0000087; Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01872.txt b/MSSJ/MSBNK-MSSJ-MSJ01872.txt index 7b2e9f61ebf..464fcf5c679 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01872.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01872.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01872 -RECORD_TITLE: Propyphenazone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Propyphenazone; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY PXWLVJLKJGVOKE-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3778 CH$LINK: ChemOnt CHEMONTID:0000087; Organic compounds; Organoheterocyclic compounds; Azoles; Pyrazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01873.txt b/MSSJ/MSBNK-MSSJ-MSJ01873.txt index 93d7dc37e98..702b5180f9b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01873.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01873.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01873 -RECORD_TITLE: Ibuprofen; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Ibuprofen; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3672 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01874.txt b/MSSJ/MSBNK-MSSJ-MSJ01874.txt index 73ee9bbeba1..b34eedaa940 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01874.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01874.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01874 -RECORD_TITLE: Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+NH4]+ +RECORD_TITLE: Ibuprofen; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+NH4]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3672 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01875.txt b/MSSJ/MSBNK-MSSJ-MSJ01875.txt index f36261f3927..aecb13b40d2 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01875.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01875.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01875 -RECORD_TITLE: Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+NH4]+ +RECORD_TITLE: Ibuprofen; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+NH4]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3672 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01876.txt b/MSSJ/MSBNK-MSSJ-MSJ01876.txt index 3cebec23624..4e71282336b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01876.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01876.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01876 -RECORD_TITLE: Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+NH4]+ +RECORD_TITLE: Ibuprofen; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+NH4]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3672 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01877.txt b/MSSJ/MSBNK-MSSJ-MSJ01877.txt index b91f41f5234..5273bc716d8 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01877.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01877.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01877 -RECORD_TITLE: Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+NH4]+ +RECORD_TITLE: Ibuprofen; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+NH4]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3672 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01878.txt b/MSSJ/MSBNK-MSSJ-MSJ01878.txt index 15dcc8298d4..63d32b25c99 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01878.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01878.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01878 -RECORD_TITLE: Ibuprofen; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+NH4]+ +RECORD_TITLE: Ibuprofen; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+NH4]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3672 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01879.txt b/MSSJ/MSBNK-MSSJ-MSJ01879.txt index 26978079f0f..7ca0b2511b3 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01879.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01879.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01879 -RECORD_TITLE: Ibuprofen; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Ibuprofen; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3672 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01880.txt b/MSSJ/MSBNK-MSSJ-MSJ01880.txt index 7262815607f..378efc8dc76 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01880.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01880.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01880 -RECORD_TITLE: Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Ibuprofen; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3672 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01881.txt b/MSSJ/MSBNK-MSSJ-MSJ01881.txt index bbe606a3920..1c231ad6b05 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01881.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01881.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01881 -RECORD_TITLE: Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Ibuprofen; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3672 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01882.txt b/MSSJ/MSBNK-MSSJ-MSJ01882.txt index 5e5a664dc41..279d19248c7 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01882.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01882.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01882 -RECORD_TITLE: Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Ibuprofen; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3672 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01883.txt b/MSSJ/MSBNK-MSSJ-MSJ01883.txt index a585c5d1e22..861aa6fd829 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01883.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01883.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01883 -RECORD_TITLE: Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Ibuprofen; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3672 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01884.txt b/MSSJ/MSBNK-MSSJ-MSJ01884.txt index 70e36b34770..a210a7d2e98 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01884.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01884.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01884 -RECORD_TITLE: Ibuprofen; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Ibuprofen; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3672 CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01885.txt b/MSSJ/MSBNK-MSSJ-MSJ01885.txt index aee70d44e76..300d46951e0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01885.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01885.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01885 -RECORD_TITLE: Imipramine; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Imipramine; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BCGWQEUPMDMJNV-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3696 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01886.txt b/MSSJ/MSBNK-MSSJ-MSJ01886.txt index e22f753f285..3beb105ee07 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01886.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01886.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01886 -RECORD_TITLE: Imipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Imipramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BCGWQEUPMDMJNV-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3696 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01887.txt b/MSSJ/MSBNK-MSSJ-MSJ01887.txt index c301c032ca9..8b5fa8f297e 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01887.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01887.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01887 -RECORD_TITLE: Imipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Imipramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BCGWQEUPMDMJNV-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3696 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01888.txt b/MSSJ/MSBNK-MSSJ-MSJ01888.txt index cfd5f5fff09..e95af023b35 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01888.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01888.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01888 -RECORD_TITLE: Imipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Imipramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BCGWQEUPMDMJNV-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3696 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01889.txt b/MSSJ/MSBNK-MSSJ-MSJ01889.txt index 3f51db736fd..47006a43aa6 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01889.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01889.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01889 -RECORD_TITLE: Imipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Imipramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BCGWQEUPMDMJNV-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3696 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01890.txt b/MSSJ/MSBNK-MSSJ-MSJ01890.txt index 4852978569b..178d42afa67 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01890.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01890.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01890 -RECORD_TITLE: Imipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Imipramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BCGWQEUPMDMJNV-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3696 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01891.txt b/MSSJ/MSBNK-MSSJ-MSJ01891.txt index 18c7c25184a..b0160a17756 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01891.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01891.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01891 -RECORD_TITLE: Indometacin; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Indometacin; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CGIGDMFJXJATDK-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3715 CH$LINK: ChemOnt CHEMONTID:0001753; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01892.txt b/MSSJ/MSBNK-MSSJ-MSJ01892.txt index 1bfd088f641..8e54349410e 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01892.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01892.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01892 -RECORD_TITLE: Indometacin; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Indometacin; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CGIGDMFJXJATDK-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3715 CH$LINK: ChemOnt CHEMONTID:0001753; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01893.txt b/MSSJ/MSBNK-MSSJ-MSJ01893.txt index cc2d426bc07..9491ad65107 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01893.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01893.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01893 -RECORD_TITLE: Indometacin; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Indometacin; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CGIGDMFJXJATDK-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3715 CH$LINK: ChemOnt CHEMONTID:0001753; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01894.txt b/MSSJ/MSBNK-MSSJ-MSJ01894.txt index beee3421f7e..20a589959de 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01894.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01894.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01894 -RECORD_TITLE: Indometacin; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Indometacin; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CGIGDMFJXJATDK-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3715 CH$LINK: ChemOnt CHEMONTID:0001753; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01895.txt b/MSSJ/MSBNK-MSSJ-MSJ01895.txt index 80fc776f47e..27ea954082c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01895.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01895.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01895 -RECORD_TITLE: Indometacin; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Indometacin; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CGIGDMFJXJATDK-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3715 CH$LINK: ChemOnt CHEMONTID:0001753; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01896.txt b/MSSJ/MSBNK-MSSJ-MSJ01896.txt index 89983fdff65..cba7f0409e7 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01896.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01896.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01896 -RECORD_TITLE: Indometacin; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Indometacin; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CGIGDMFJXJATDK-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3715 CH$LINK: ChemOnt CHEMONTID:0001753; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01897.txt b/MSSJ/MSBNK-MSSJ-MSJ01897.txt index aa7acc68a35..3b637e96240 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01897.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01897.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01897 -RECORD_TITLE: Indometacin; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Indometacin; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CGIGDMFJXJATDK-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3715 CH$LINK: ChemOnt CHEMONTID:0001753; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01898.txt b/MSSJ/MSBNK-MSSJ-MSJ01898.txt index 38f47f42a0b..e453b5965eb 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01898.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01898.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01898 -RECORD_TITLE: Indometacin; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Indometacin; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CGIGDMFJXJATDK-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3715 CH$LINK: ChemOnt CHEMONTID:0001753; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01899.txt b/MSSJ/MSBNK-MSSJ-MSJ01899.txt index 02e1df3ce00..c802de931c0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01899.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01899.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01899 -RECORD_TITLE: Indometacin; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Indometacin; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CGIGDMFJXJATDK-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3715 CH$LINK: ChemOnt CHEMONTID:0001753; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01900.txt b/MSSJ/MSBNK-MSSJ-MSJ01900.txt index 803a3dbc8e8..bf962eb9e8e 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01900.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01900.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01900 -RECORD_TITLE: Indometacin; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Indometacin; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CGIGDMFJXJATDK-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3715 CH$LINK: ChemOnt CHEMONTID:0001753; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01901.txt b/MSSJ/MSBNK-MSSJ-MSJ01901.txt index 7897ff9b832..adce5480fcf 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01901.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01901 -RECORD_TITLE: Indometacin; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Indometacin; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CGIGDMFJXJATDK-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3715 CH$LINK: ChemOnt CHEMONTID:0001753; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01902.txt b/MSSJ/MSBNK-MSSJ-MSJ01902.txt index 7ad12ee1ab4..d451e3c5dd5 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01902.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01902 -RECORD_TITLE: Indometacin; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Indometacin; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CGIGDMFJXJATDK-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3715 CH$LINK: ChemOnt CHEMONTID:0001753; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Benzoylindoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01903.txt b/MSSJ/MSBNK-MSSJ-MSJ01903.txt index 2b7f15a2aa3..37251f40ad8 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01903.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01903 -RECORD_TITLE: Oxybuprocaine; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Oxybuprocaine; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CMHHMUWAYWTMGS-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4633 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01904.txt b/MSSJ/MSBNK-MSSJ-MSJ01904.txt index c08e45c8cc3..b5bd1125a5f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01904.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01904 -RECORD_TITLE: Oxybuprocaine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Oxybuprocaine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CMHHMUWAYWTMGS-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4633 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01905.txt b/MSSJ/MSBNK-MSSJ-MSJ01905.txt index a2696093b98..dd8249b522f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01905.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01905 -RECORD_TITLE: Oxybuprocaine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Oxybuprocaine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CMHHMUWAYWTMGS-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4633 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01906.txt b/MSSJ/MSBNK-MSSJ-MSJ01906.txt index 02bfe2c58f6..9faba28bd82 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01906.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01906.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01906 -RECORD_TITLE: Oxybuprocaine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Oxybuprocaine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CMHHMUWAYWTMGS-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4633 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01907.txt b/MSSJ/MSBNK-MSSJ-MSJ01907.txt index 07ac436b2a7..9547bde20af 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01907.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01907 -RECORD_TITLE: Oxybuprocaine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Oxybuprocaine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CMHHMUWAYWTMGS-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4633 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01908.txt b/MSSJ/MSBNK-MSSJ-MSJ01908.txt index b4ebf9730cd..f3cb465046f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01908.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01908 -RECORD_TITLE: Oxybuprocaine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Oxybuprocaine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CMHHMUWAYWTMGS-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4633 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01909.txt b/MSSJ/MSBNK-MSSJ-MSJ01909.txt index f8ff8d74594..960c21af2a1 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01909.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01909 -RECORD_TITLE: Oxypertine; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Oxypertine; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XCWPUUGSGHNIDZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4640 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01910.txt b/MSSJ/MSBNK-MSSJ-MSJ01910.txt index 459f52e3e87..4eab6543064 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01910.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01910.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01910 -RECORD_TITLE: Oxypertine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Oxypertine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XCWPUUGSGHNIDZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4640 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01911.txt b/MSSJ/MSBNK-MSSJ-MSJ01911.txt index 840c8e1c262..85cb027d195 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01911.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01911.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01911 -RECORD_TITLE: Oxypertine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Oxypertine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XCWPUUGSGHNIDZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4640 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01912.txt b/MSSJ/MSBNK-MSSJ-MSJ01912.txt index c5ccb4df536..33dd8760c02 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01912.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01912.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01912 -RECORD_TITLE: Oxypertine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Oxypertine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XCWPUUGSGHNIDZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4640 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01913.txt b/MSSJ/MSBNK-MSSJ-MSJ01913.txt index 383657648d1..cbd6b78ce4d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01913.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01913.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01913 -RECORD_TITLE: Oxypertine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Oxypertine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XCWPUUGSGHNIDZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4640 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01914.txt b/MSSJ/MSBNK-MSSJ-MSJ01914.txt index caedb7d4369..4889088d74c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01914.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01914.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01914 -RECORD_TITLE: Oxypertine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Oxypertine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XCWPUUGSGHNIDZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4640 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01915.txt b/MSSJ/MSBNK-MSSJ-MSJ01915.txt index 731f21b532d..fcb9504628d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01915.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01915.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01915 -RECORD_TITLE: Oxypertine; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Oxypertine; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XCWPUUGSGHNIDZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4640 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01916.txt b/MSSJ/MSBNK-MSSJ-MSJ01916.txt index 84ed8484da6..dde958be0c0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01916.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01916.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01916 -RECORD_TITLE: Oxypertine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Oxypertine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XCWPUUGSGHNIDZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4640 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01917.txt b/MSSJ/MSBNK-MSSJ-MSJ01917.txt index c25ab663405..333479e448b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01917.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01917.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01917 -RECORD_TITLE: Oxypertine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Oxypertine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XCWPUUGSGHNIDZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4640 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01918.txt b/MSSJ/MSBNK-MSSJ-MSJ01918.txt index 5dc72fb2d36..0f80368fcdb 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01918.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01918.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01918 -RECORD_TITLE: Oxypertine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Oxypertine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XCWPUUGSGHNIDZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4640 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01919.txt b/MSSJ/MSBNK-MSSJ-MSJ01919.txt index d3bfc339ea2..ecdd20303a6 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01919.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01919.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01919 -RECORD_TITLE: Oxypertine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Oxypertine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XCWPUUGSGHNIDZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4640 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01920.txt b/MSSJ/MSBNK-MSSJ-MSJ01920.txt index e57daf60dce..9a29093ae26 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01920.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01920.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01920 -RECORD_TITLE: Oxypertine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Oxypertine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XCWPUUGSGHNIDZ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4640 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01921.txt b/MSSJ/MSBNK-MSSJ-MSJ01921.txt index fefadae99f6..960bd475225 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01921.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01921.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01921 -RECORD_TITLE: Olanzapine; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Olanzapine; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KVWDHTXUZHCGIO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:135398745 CH$LINK: ChemOnt CHEMONTID:0000295; Organic compounds; Organoheterocyclic compounds; Benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01922.txt b/MSSJ/MSBNK-MSSJ-MSJ01922.txt index e55e486c598..954aedcd916 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01922.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01922.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01922 -RECORD_TITLE: Olanzapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Olanzapine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KVWDHTXUZHCGIO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:135398745 CH$LINK: ChemOnt CHEMONTID:0000295; Organic compounds; Organoheterocyclic compounds; Benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01923.txt b/MSSJ/MSBNK-MSSJ-MSJ01923.txt index d87723c91c6..e8317cb8843 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01923.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01923.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01923 -RECORD_TITLE: Olanzapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Olanzapine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KVWDHTXUZHCGIO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:135398745 CH$LINK: ChemOnt CHEMONTID:0000295; Organic compounds; Organoheterocyclic compounds; Benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01924.txt b/MSSJ/MSBNK-MSSJ-MSJ01924.txt index 7f5e5cb99ce..62ab4d9ec8d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01924.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01924.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01924 -RECORD_TITLE: Olanzapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Olanzapine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KVWDHTXUZHCGIO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:135398745 CH$LINK: ChemOnt CHEMONTID:0000295; Organic compounds; Organoheterocyclic compounds; Benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01925.txt b/MSSJ/MSBNK-MSSJ-MSJ01925.txt index 9866e230fd4..420aa450699 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01925.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01925.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01925 -RECORD_TITLE: Olanzapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Olanzapine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KVWDHTXUZHCGIO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:135398745 CH$LINK: ChemOnt CHEMONTID:0000295; Organic compounds; Organoheterocyclic compounds; Benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01926.txt b/MSSJ/MSBNK-MSSJ-MSJ01926.txt index 5b1e5e0f1a1..76003b8e580 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01926.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01926.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01926 -RECORD_TITLE: Olanzapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Olanzapine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KVWDHTXUZHCGIO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:135398745 CH$LINK: ChemOnt CHEMONTID:0000295; Organic compounds; Organoheterocyclic compounds; Benzodiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01927.txt b/MSSJ/MSBNK-MSSJ-MSJ01927.txt index 08f4a30d9fa..c18b465ae19 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01927.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01927.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01927 -RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UQGKUQLKSCSZGY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:130881 CH$LINK: ChemOnt CHEMONTID:0000041; Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01928.txt b/MSSJ/MSBNK-MSSJ-MSJ01928.txt index 4ffaeecf2f1..deae1a29ebd 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01928.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01928.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01928 -RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UQGKUQLKSCSZGY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:130881 CH$LINK: ChemOnt CHEMONTID:0000041; Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01929.txt b/MSSJ/MSBNK-MSSJ-MSJ01929.txt index e23ea6382ab..7d3140189b1 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01929.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01929.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01929 -RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UQGKUQLKSCSZGY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:130881 CH$LINK: ChemOnt CHEMONTID:0000041; Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01930.txt b/MSSJ/MSBNK-MSSJ-MSJ01930.txt index 68ae0a28fed..ce5cad75079 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01930.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01930.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01930 -RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UQGKUQLKSCSZGY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:130881 CH$LINK: ChemOnt CHEMONTID:0000041; Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01931.txt b/MSSJ/MSBNK-MSSJ-MSJ01931.txt index 1a9d4c2bff9..897c61fd156 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01931.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01931.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01931 -RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UQGKUQLKSCSZGY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:130881 CH$LINK: ChemOnt CHEMONTID:0000041; Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01932.txt b/MSSJ/MSBNK-MSSJ-MSJ01932.txt index 5c2ca020ecd..4fafbed5ce9 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01932.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01932.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01932 -RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UQGKUQLKSCSZGY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:130881 CH$LINK: ChemOnt CHEMONTID:0000041; Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01933.txt b/MSSJ/MSBNK-MSSJ-MSJ01933.txt index f2c106f84e2..a67edf9ca98 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01933.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01933.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01933 -RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UQGKUQLKSCSZGY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:130881 CH$LINK: ChemOnt CHEMONTID:0000041; Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01934.txt b/MSSJ/MSBNK-MSSJ-MSJ01934.txt index 1fa014415d9..a46cf6305fb 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01934.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01934.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01934 -RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UQGKUQLKSCSZGY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:130881 CH$LINK: ChemOnt CHEMONTID:0000041; Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01935.txt b/MSSJ/MSBNK-MSSJ-MSJ01935.txt index 07f18434c93..df80b48fcee 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01935.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01935.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01935 -RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UQGKUQLKSCSZGY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:130881 CH$LINK: ChemOnt CHEMONTID:0000041; Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01936.txt b/MSSJ/MSBNK-MSSJ-MSJ01936.txt index 52976454ad2..8d3755e98c6 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01936.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01936.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01936 -RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UQGKUQLKSCSZGY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:130881 CH$LINK: ChemOnt CHEMONTID:0000041; Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01937.txt b/MSSJ/MSBNK-MSSJ-MSJ01937.txt index 69b2d25a02d..7b8a09119d0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01937.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01937.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01937 -RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UQGKUQLKSCSZGY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:130881 CH$LINK: ChemOnt CHEMONTID:0000041; Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01938.txt b/MSSJ/MSBNK-MSSJ-MSJ01938.txt index 79897f6ca68..f1594b9a0c9 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01938.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01938.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01938 -RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Olmesartan medoxomil; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UQGKUQLKSCSZGY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:130881 CH$LINK: ChemOnt CHEMONTID:0000041; Organic compounds; Benzenoids; Benzene and substituted derivatives; Biphenyls and derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01939.txt b/MSSJ/MSBNK-MSSJ-MSJ01939.txt index 104e6bad677..2d0cdd4a6e3 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01939.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01939.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01939 -RECORD_TITLE: Carbamazepine; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Carbamazepine; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FFGPTBGBLSHEPO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2554 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01940.txt b/MSSJ/MSBNK-MSSJ-MSJ01940.txt index c5ad8be2219..c5edc6b4b55 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01940.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01940.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01940 -RECORD_TITLE: Carbamazepine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Carbamazepine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FFGPTBGBLSHEPO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2554 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01941.txt b/MSSJ/MSBNK-MSSJ-MSJ01941.txt index 1be7808b1df..afe02f5deec 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01941.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01941.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01941 -RECORD_TITLE: Carbamazepine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Carbamazepine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FFGPTBGBLSHEPO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2554 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01942.txt b/MSSJ/MSBNK-MSSJ-MSJ01942.txt index e13e9d5071b..a947f4ddada 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01942.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01942.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01942 -RECORD_TITLE: Carbamazepine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Carbamazepine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FFGPTBGBLSHEPO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2554 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01943.txt b/MSSJ/MSBNK-MSSJ-MSJ01943.txt index 376c3c084ca..613ddd9909b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01943.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01943.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01943 -RECORD_TITLE: Carbamazepine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Carbamazepine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FFGPTBGBLSHEPO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2554 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01944.txt b/MSSJ/MSBNK-MSSJ-MSJ01944.txt index a4614860baf..87338fa9d9a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01944.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01944.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01944 -RECORD_TITLE: Carbamazepine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Carbamazepine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY FFGPTBGBLSHEPO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2554 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01945.txt b/MSSJ/MSBNK-MSSJ-MSJ01945.txt index ea3b9a2c5c3..119cc07fea4 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01945.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01945.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01945 -RECORD_TITLE: Carpipramine; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Carpipramine; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NWPJLRSCSQHPJV-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2580 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01946.txt b/MSSJ/MSBNK-MSSJ-MSJ01946.txt index 751bcd41538..ae42672dd6b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01946.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01946.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01946 -RECORD_TITLE: Carpipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Carpipramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NWPJLRSCSQHPJV-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2580 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01947.txt b/MSSJ/MSBNK-MSSJ-MSJ01947.txt index 6e6748a8899..e51b0558506 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01947.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01947.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01947 -RECORD_TITLE: Carpipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Carpipramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NWPJLRSCSQHPJV-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2580 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01948.txt b/MSSJ/MSBNK-MSSJ-MSJ01948.txt index d6fd372ca84..feb7715da2a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01948.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01948.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01948 -RECORD_TITLE: Carpipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Carpipramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NWPJLRSCSQHPJV-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2580 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01949.txt b/MSSJ/MSBNK-MSSJ-MSJ01949.txt index d57c07c2892..44125f21985 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01949.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01949.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01949 -RECORD_TITLE: Carpipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Carpipramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NWPJLRSCSQHPJV-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2580 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01950.txt b/MSSJ/MSBNK-MSSJ-MSJ01950.txt index 78d22e5d378..7373801add2 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01950.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01950.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01950 -RECORD_TITLE: Carpipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Carpipramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NWPJLRSCSQHPJV-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2580 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01951.txt b/MSSJ/MSBNK-MSSJ-MSJ01951.txt index becba78de46..aff37798f92 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01951.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01951.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01951 -RECORD_TITLE: Carpipramine; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Carpipramine; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NWPJLRSCSQHPJV-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2580 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01952.txt b/MSSJ/MSBNK-MSSJ-MSJ01952.txt index 2d08a2a2325..600dc52a007 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01952.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01952.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01952 -RECORD_TITLE: Carpipramine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Carpipramine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NWPJLRSCSQHPJV-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2580 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01953.txt b/MSSJ/MSBNK-MSSJ-MSJ01953.txt index 3f14ae5130e..b0482fa5894 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01953.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01953.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01953 -RECORD_TITLE: Carpipramine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Carpipramine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NWPJLRSCSQHPJV-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2580 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01954.txt b/MSSJ/MSBNK-MSSJ-MSJ01954.txt index cd125978a1e..743efd63eef 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01954.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01954.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01954 -RECORD_TITLE: Carpipramine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Carpipramine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NWPJLRSCSQHPJV-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2580 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01955.txt b/MSSJ/MSBNK-MSSJ-MSJ01955.txt index 005d57ffe46..c83065f7003 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01955.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01955.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01955 -RECORD_TITLE: Carpipramine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Carpipramine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NWPJLRSCSQHPJV-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2580 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01956.txt b/MSSJ/MSBNK-MSSJ-MSJ01956.txt index d3632209b0e..a1e59b14dfa 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01956.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01956.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01956 -RECORD_TITLE: Carpipramine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Carpipramine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY NWPJLRSCSQHPJV-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2580 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01957.txt b/MSSJ/MSBNK-MSSJ-MSJ01957.txt index 4a16880f525..517aa0c79e7 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01957.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01957.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01957 -RECORD_TITLE: Carvedilol; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Carvedilol; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY OGHNVEJMJSYVRP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2585 CH$LINK: ChemOnt CHEMONTID:0000210; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01958.txt b/MSSJ/MSBNK-MSSJ-MSJ01958.txt index 90ef8365e15..be0a099dd06 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01958.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01958.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01958 -RECORD_TITLE: Carvedilol; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Carvedilol; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY OGHNVEJMJSYVRP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2585 CH$LINK: ChemOnt CHEMONTID:0000210; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01959.txt b/MSSJ/MSBNK-MSSJ-MSJ01959.txt index fce610500a2..307ce354c4b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01959.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01959.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01959 -RECORD_TITLE: Carvedilol; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Carvedilol; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY OGHNVEJMJSYVRP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2585 CH$LINK: ChemOnt CHEMONTID:0000210; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01960.txt b/MSSJ/MSBNK-MSSJ-MSJ01960.txt index 69a88a15b87..bdf46a6d8eb 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01960.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01960.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01960 -RECORD_TITLE: Carvedilol; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Carvedilol; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY OGHNVEJMJSYVRP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2585 CH$LINK: ChemOnt CHEMONTID:0000210; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01961.txt b/MSSJ/MSBNK-MSSJ-MSJ01961.txt index 9eeb50a4f9d..7eb57ad8263 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01961.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01961.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01961 -RECORD_TITLE: Carvedilol; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Carvedilol; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY OGHNVEJMJSYVRP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2585 CH$LINK: ChemOnt CHEMONTID:0000210; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01962.txt b/MSSJ/MSBNK-MSSJ-MSJ01962.txt index 88965898156..d71b5c1342c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01962.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01962.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01962 -RECORD_TITLE: Carvedilol; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Carvedilol; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY OGHNVEJMJSYVRP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2585 CH$LINK: ChemOnt CHEMONTID:0000210; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01963.txt b/MSSJ/MSBNK-MSSJ-MSJ01963.txt index 511ddc3c328..e5a321d302e 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01963.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01963.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01963 -RECORD_TITLE: Carvedilol; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Carvedilol; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY OGHNVEJMJSYVRP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2585 CH$LINK: ChemOnt CHEMONTID:0000210; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01964.txt b/MSSJ/MSBNK-MSSJ-MSJ01964.txt index dbbcb113f39..4ea79b5f79f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01964.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01964.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01964 -RECORD_TITLE: Carvedilol; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Carvedilol; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY OGHNVEJMJSYVRP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2585 CH$LINK: ChemOnt CHEMONTID:0000210; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01965.txt b/MSSJ/MSBNK-MSSJ-MSJ01965.txt index 18f058863db..9f8041f6afe 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01965.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01965.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01965 -RECORD_TITLE: Carvedilol; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Carvedilol; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY OGHNVEJMJSYVRP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2585 CH$LINK: ChemOnt CHEMONTID:0000210; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01966.txt b/MSSJ/MSBNK-MSSJ-MSJ01966.txt index 9c9b84c82db..cb7aede99df 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01966.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01966.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01966 -RECORD_TITLE: Carvedilol; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Carvedilol; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY OGHNVEJMJSYVRP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2585 CH$LINK: ChemOnt CHEMONTID:0000210; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01967.txt b/MSSJ/MSBNK-MSSJ-MSJ01967.txt index 980c06a600e..dfaa1b554d9 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01967.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01967.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01967 -RECORD_TITLE: Carvedilol; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Carvedilol; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY OGHNVEJMJSYVRP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2585 CH$LINK: ChemOnt CHEMONTID:0000210; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01968.txt b/MSSJ/MSBNK-MSSJ-MSJ01968.txt index bdf39a087d6..7f5f7de87b1 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01968.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01968.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01968 -RECORD_TITLE: Carvedilol; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Carvedilol; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY OGHNVEJMJSYVRP-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2585 CH$LINK: ChemOnt CHEMONTID:0000210; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Carbazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01969.txt b/MSSJ/MSBNK-MSSJ-MSJ01969.txt index 97bcc667628..fff122153ee 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01969.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01969.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01969 -RECORD_TITLE: Quetiapine; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Quetiapine; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY URKOMYMAXPYINW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5002 CH$LINK: ChemOnt CHEMONTID:0000055; Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01970.txt b/MSSJ/MSBNK-MSSJ-MSJ01970.txt index f6f84f6567c..0c6cfd9236d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01970.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01970.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01970 -RECORD_TITLE: Quetiapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Quetiapine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY URKOMYMAXPYINW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5002 CH$LINK: ChemOnt CHEMONTID:0000055; Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01971.txt b/MSSJ/MSBNK-MSSJ-MSJ01971.txt index 49bb7ebe11a..b7aed870244 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01971.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01971.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01971 -RECORD_TITLE: Quetiapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Quetiapine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY URKOMYMAXPYINW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5002 CH$LINK: ChemOnt CHEMONTID:0000055; Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01972.txt b/MSSJ/MSBNK-MSSJ-MSJ01972.txt index f59f9b53c4b..318cd91458b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01972.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01972.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01972 -RECORD_TITLE: Quetiapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Quetiapine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY URKOMYMAXPYINW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5002 CH$LINK: ChemOnt CHEMONTID:0000055; Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01973.txt b/MSSJ/MSBNK-MSSJ-MSJ01973.txt index a2e6d524ee9..1d741bc5a59 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01973.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01973.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01973 -RECORD_TITLE: Quetiapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Quetiapine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY URKOMYMAXPYINW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5002 CH$LINK: ChemOnt CHEMONTID:0000055; Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01974.txt b/MSSJ/MSBNK-MSSJ-MSJ01974.txt index 7970728500c..e32a8303adf 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01974.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01974.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01974 -RECORD_TITLE: Quetiapine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Quetiapine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY URKOMYMAXPYINW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5002 CH$LINK: ChemOnt CHEMONTID:0000055; Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01975.txt b/MSSJ/MSBNK-MSSJ-MSJ01975.txt index 296bd190d5a..bde5086bfd1 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01975.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01975.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01975 -RECORD_TITLE: Quetiapine; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Quetiapine; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY URKOMYMAXPYINW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5002 CH$LINK: ChemOnt CHEMONTID:0000055; Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01976.txt b/MSSJ/MSBNK-MSSJ-MSJ01976.txt index f70c3586f1c..5102f2a24ea 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01976.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01976.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01976 -RECORD_TITLE: Quetiapine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Quetiapine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY URKOMYMAXPYINW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5002 CH$LINK: ChemOnt CHEMONTID:0000055; Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01977.txt b/MSSJ/MSBNK-MSSJ-MSJ01977.txt index ae2403f1d6d..292ae940db2 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01977.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01977.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01977 -RECORD_TITLE: Quetiapine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Quetiapine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY URKOMYMAXPYINW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5002 CH$LINK: ChemOnt CHEMONTID:0000055; Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01978.txt b/MSSJ/MSBNK-MSSJ-MSJ01978.txt index 4abaf607098..a011e348d5a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01978.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01978.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01978 -RECORD_TITLE: Quetiapine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Quetiapine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY URKOMYMAXPYINW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5002 CH$LINK: ChemOnt CHEMONTID:0000055; Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01979.txt b/MSSJ/MSBNK-MSSJ-MSJ01979.txt index dd9f96f571c..06195333746 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01979.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01979.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01979 -RECORD_TITLE: Quetiapine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Quetiapine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY URKOMYMAXPYINW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5002 CH$LINK: ChemOnt CHEMONTID:0000055; Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01980.txt b/MSSJ/MSBNK-MSSJ-MSJ01980.txt index ae412fac472..e8a26694c78 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01980.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01980.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01980 -RECORD_TITLE: Quetiapine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Quetiapine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY URKOMYMAXPYINW-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5002 CH$LINK: ChemOnt CHEMONTID:0000055; Organic compounds; Organoheterocyclic compounds; Benzothiazepines; Dibenzothiazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01981.txt b/MSSJ/MSBNK-MSSJ-MSJ01981.txt index a1f0de89a49..7a2cc6c74f0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01981.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01981.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01981 -RECORD_TITLE: Clemastine; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Clemastine; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YNNUSGIPVFPVBX-NHCUHLMSSA-N CH$LINK: PUBCHEM CID:26987 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01982.txt b/MSSJ/MSBNK-MSSJ-MSJ01982.txt index 2b6ab70dfee..a80f9832afd 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01982.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01982.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01982 -RECORD_TITLE: Clemastine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Clemastine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YNNUSGIPVFPVBX-NHCUHLMSSA-N CH$LINK: PUBCHEM CID:26987 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01983.txt b/MSSJ/MSBNK-MSSJ-MSJ01983.txt index ca90a8df369..3fbdfcf4fcc 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01983.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01983.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01983 -RECORD_TITLE: Clemastine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Clemastine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YNNUSGIPVFPVBX-NHCUHLMSSA-N CH$LINK: PUBCHEM CID:26987 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01984.txt b/MSSJ/MSBNK-MSSJ-MSJ01984.txt index 72b918f01bb..c630b21b002 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01984.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01984.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01984 -RECORD_TITLE: Clemastine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Clemastine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YNNUSGIPVFPVBX-NHCUHLMSSA-N CH$LINK: PUBCHEM CID:26987 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01985.txt b/MSSJ/MSBNK-MSSJ-MSJ01985.txt index 46262a6c26b..f96a2595be6 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01985.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01985.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01985 -RECORD_TITLE: Clemastine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Clemastine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YNNUSGIPVFPVBX-NHCUHLMSSA-N CH$LINK: PUBCHEM CID:26987 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01986.txt b/MSSJ/MSBNK-MSSJ-MSJ01986.txt index a5382af3406..a4f4eeffee9 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01986.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01986.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01986 -RECORD_TITLE: Clemastine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Clemastine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YNNUSGIPVFPVBX-NHCUHLMSSA-N CH$LINK: PUBCHEM CID:26987 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01987.txt b/MSSJ/MSBNK-MSSJ-MSJ01987.txt index 0c77b073590..7ce280f64ad 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01987.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01987.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01987 -RECORD_TITLE: Clocapramine; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Clocapramine; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QAZKXHSIKKNOHH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2793 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01988.txt b/MSSJ/MSBNK-MSSJ-MSJ01988.txt index b1f324a19c4..5c3634833de 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01988.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01988.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01988 -RECORD_TITLE: Clocapramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Clocapramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QAZKXHSIKKNOHH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2793 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01989.txt b/MSSJ/MSBNK-MSSJ-MSJ01989.txt index a8e1ae687ba..2200c450d8b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01989.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01989.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01989 -RECORD_TITLE: Clocapramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Clocapramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QAZKXHSIKKNOHH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2793 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01990.txt b/MSSJ/MSBNK-MSSJ-MSJ01990.txt index 3cd52566739..97060392ff7 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01990.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01990.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01990 -RECORD_TITLE: Clocapramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Clocapramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QAZKXHSIKKNOHH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2793 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01991.txt b/MSSJ/MSBNK-MSSJ-MSJ01991.txt index 55471a47f7f..e774b01ba0a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01991.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01991.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01991 -RECORD_TITLE: Clocapramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Clocapramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QAZKXHSIKKNOHH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2793 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01992.txt b/MSSJ/MSBNK-MSSJ-MSJ01992.txt index 990f491fccd..d3d7acdb92c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01992.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01992.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01992 -RECORD_TITLE: Clocapramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Clocapramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QAZKXHSIKKNOHH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2793 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01993.txt b/MSSJ/MSBNK-MSSJ-MSJ01993.txt index a6af4ae46b1..cc026b1071a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01993.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01993.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01993 -RECORD_TITLE: Clocapramine; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Clocapramine; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QAZKXHSIKKNOHH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2793 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ01994.txt b/MSSJ/MSBNK-MSSJ-MSJ01994.txt index 03844deace7..b5922e4a88d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01994.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01994.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01994 -RECORD_TITLE: Clocapramine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Clocapramine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QAZKXHSIKKNOHH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2793 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01995.txt b/MSSJ/MSBNK-MSSJ-MSJ01995.txt index caf99042135..fc76429f34c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01995.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01995.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01995 -RECORD_TITLE: Clocapramine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Clocapramine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QAZKXHSIKKNOHH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2793 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01996.txt b/MSSJ/MSBNK-MSSJ-MSJ01996.txt index 1e4fdbc42f5..aa64c78d5d9 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01996.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01996.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01996 -RECORD_TITLE: Clocapramine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Clocapramine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QAZKXHSIKKNOHH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2793 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01997.txt b/MSSJ/MSBNK-MSSJ-MSJ01997.txt index 06acc9031f4..7becc1d7049 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01997.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01997.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01997 -RECORD_TITLE: Clocapramine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Clocapramine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QAZKXHSIKKNOHH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2793 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ01998.txt b/MSSJ/MSBNK-MSSJ-MSJ01998.txt index a2ced783654..46247be7f8b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ01998.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ01998.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ01998 -RECORD_TITLE: Clocapramine; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Clocapramine; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.03.28 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY QAZKXHSIKKNOHH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2793 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ02388.txt b/MSSJ/MSBNK-MSSJ-MSJ02388.txt index 2ba3822c9b5..48d522f24c0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ02388.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ02388.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ02388 -RECORD_TITLE: Acarbose; ESI-QQ; MS2; POSITIVE; [M+H]+; CID; CE: 5 eV +RECORD_TITLE: Acarbose; ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; CE: 5 eV DATE: 2022.12.21 AUTHORS: Yoshinao Wada, Osaka Women's and Children's Hospital, Osaka Prefectural Hospital Organization, 840 Murodou, Izumi City, Osaka 594-1101, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY XUFXOAAUWZOOIT-SXARVLRPSA-N CH$LINK: PUBCHEM CID:444254 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: Triple Quad 4500 (AB Sciex Pte. Ltd., USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ02389.txt b/MSSJ/MSBNK-MSSJ-MSJ02389.txt index c4472cbef2d..f8404cd3c4b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ02389.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ02389.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ02389 -RECORD_TITLE: Acarbose; ESI-QQ; MS2; POSITIVE; [M+H]+; CID; CE: 15 eV +RECORD_TITLE: Acarbose; ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; CE: 15 eV DATE: 2022.12.21 AUTHORS: Yoshinao Wada, Osaka Women's and Children's Hospital, Osaka Prefectural Hospital Organization, 840 Murodou, Izumi City, Osaka 594-1101, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY XUFXOAAUWZOOIT-SXARVLRPSA-N CH$LINK: PUBCHEM CID:444254 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: Triple Quad 4500 (AB Sciex Pte. Ltd., USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ02390.txt b/MSSJ/MSBNK-MSSJ-MSJ02390.txt index 615070f90cc..ccc2b1f9882 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ02390.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ02390.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ02390 -RECORD_TITLE: Acarbose; ESI-QQ; MS2; POSITIVE; [M+H]+; CID; CE: 25 eV +RECORD_TITLE: Acarbose; ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; CE: 25 eV DATE: 2022.12.21 AUTHORS: Yoshinao Wada, Osaka Women's and Children's Hospital, Osaka Prefectural Hospital Organization, 840 Murodou, Izumi City, Osaka 594-1101, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY XUFXOAAUWZOOIT-SXARVLRPSA-N CH$LINK: PUBCHEM CID:444254 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: Triple Quad 4500 (AB Sciex Pte. Ltd., USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ02391.txt b/MSSJ/MSBNK-MSSJ-MSJ02391.txt index 3fba85ed4b9..3fd9179703e 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ02391.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ02391.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ02391 -RECORD_TITLE: Acarbose; ESI-QQ; MS2; POSITIVE; [M+H]+; CID; CE: 35 eV +RECORD_TITLE: Acarbose; ESI-QQQ; MS2; POSITIVE; [M+H]+; CID; CE: 35 eV DATE: 2022.12.21 AUTHORS: Yoshinao Wada, Osaka Women's and Children's Hospital, Osaka Prefectural Hospital Organization, 840 Murodou, Izumi City, Osaka 594-1101, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY XUFXOAAUWZOOIT-SXARVLRPSA-N CH$LINK: PUBCHEM CID:444254 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: Triple Quad 4500 (AB Sciex Pte. Ltd., USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ02392.txt b/MSSJ/MSBNK-MSSJ-MSJ02392.txt index ff1e1846f8e..4b573b646d5 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ02392.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ02392.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ02392 -RECORD_TITLE: Acarbose; ESI-QQ; MS2; NEGATIVE; [M-H]-; CID; CE: 5 eV +RECORD_TITLE: Acarbose; ESI-QQQ; MS2; NEGATIVE; [M-H]-; CID; CE: 5 eV DATE: 2022.12.21 AUTHORS: Yoshinao Wada, Osaka Women's and Children's Hospital, Osaka Prefectural Hospital Organization, 840 Murodou, Izumi City, Osaka 594-1101, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY XUFXOAAUWZOOIT-SXARVLRPSA-N CH$LINK: PUBCHEM CID:444254 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: Triple Quad 4500 (AB Sciex Pte. Ltd., USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ02393.txt b/MSSJ/MSBNK-MSSJ-MSJ02393.txt index 9473b236fcd..241a17b056d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ02393.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ02393.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ02393 -RECORD_TITLE: Acarbose; ESI-QQ; MS2; NEGATIVE; [M-H]-; CID; CE: 10 eV +RECORD_TITLE: Acarbose; ESI-QQQ; MS2; NEGATIVE; [M-H]-; CID; CE: 10 eV DATE: 2022.12.21 AUTHORS: Yoshinao Wada, Osaka Women's and Children's Hospital, Osaka Prefectural Hospital Organization, 840 Murodou, Izumi City, Osaka 594-1101, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY XUFXOAAUWZOOIT-SXARVLRPSA-N CH$LINK: PUBCHEM CID:444254 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: Triple Quad 4500 (AB Sciex Pte. Ltd., USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ02394.txt b/MSSJ/MSBNK-MSSJ-MSJ02394.txt index bd093bd23e2..b4b75133763 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ02394.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ02394.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ02394 -RECORD_TITLE: Acarbose; ESI-QQ; MS2; NEGATIVE; [M-H]-; CID; CE: 15 eV +RECORD_TITLE: Acarbose; ESI-QQQ; MS2; NEGATIVE; [M-H]-; CID; CE: 15 eV DATE: 2022.12.21 AUTHORS: Yoshinao Wada, Osaka Women's and Children's Hospital, Osaka Prefectural Hospital Organization, 840 Murodou, Izumi City, Osaka 594-1101, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY XUFXOAAUWZOOIT-SXARVLRPSA-N CH$LINK: PUBCHEM CID:444254 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: Triple Quad 4500 (AB Sciex Pte. Ltd., USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ02395.txt b/MSSJ/MSBNK-MSSJ-MSJ02395.txt index c88380ee607..058b63a5d2d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ02395.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ02395.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ02395 -RECORD_TITLE: Acarbose; ESI-QQ; MS2; NEGATIVE; [M-H]-; CID; CE: 25 eV +RECORD_TITLE: Acarbose; ESI-QQQ; MS2; NEGATIVE; [M-H]-; CID; CE: 25 eV DATE: 2022.12.21 AUTHORS: Yoshinao Wada, Osaka Women's and Children's Hospital, Osaka Prefectural Hospital Organization, 840 Murodou, Izumi City, Osaka 594-1101, Japan. LICENSE: CC BY @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY XUFXOAAUWZOOIT-SXARVLRPSA-N CH$LINK: PUBCHEM CID:444254 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: Triple Quad 4500 (AB Sciex Pte. Ltd., USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ02396.txt b/MSSJ/MSBNK-MSSJ-MSJ02396.txt index c239d2e1a6e..3b55f1bbc2e 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ02396.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ02396.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ02396 -RECORD_TITLE: Glc4; ESI-QQ; MS2; Positive; [M+H]+; CID; CE: 10 eV +RECORD_TITLE: Glc4; ESI-QQQ; MS2; Positive; [M+H]+; CID; CE: 10 eV DATE: 2023.01.30 AUTHORS: Yoshinao Wada, Osaka Women's and Children's Hospital, Osaka Prefectural Hospital Organization, 840 Murodou, Izumi City, Osaka 594-1101, Japan. LICENSE: CC BY @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FPBCRLIOSBQLHS-QVTSYAGHSA-N CH$LINK: PUBCHEM CID:53810987 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: Triple Quad 4500 (AB Sciex Pte. Ltd., USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ02397.txt b/MSSJ/MSBNK-MSSJ-MSJ02397.txt index b072af8e6a1..59b54f3b75c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ02397.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ02397.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ02397 -RECORD_TITLE: Glc4; ESI-QQ; MS2; Positive; [M+H]+; CID; CE: 20 eV +RECORD_TITLE: Glc4; ESI-QQQ; MS2; Positive; [M+H]+; CID; CE: 20 eV DATE: 2023.01.30 AUTHORS: Yoshinao Wada, Osaka Women's and Children's Hospital, Osaka Prefectural Hospital Organization, 840 Murodou, Izumi City, Osaka 594-1101, Japan. LICENSE: CC BY @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FPBCRLIOSBQLHS-QVTSYAGHSA-N CH$LINK: PUBCHEM CID:53810987 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: Triple Quad 4500 (AB Sciex Pte. Ltd., USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ02398.txt b/MSSJ/MSBNK-MSSJ-MSJ02398.txt index db6345f9421..27a2c5def0d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ02398.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ02398.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ02398 -RECORD_TITLE: Glc4; ESI-QQ; MS2; Positive; [M+H]+; CID; CE: 30 eV +RECORD_TITLE: Glc4; ESI-QQQ; MS2; Positive; [M+H]+; CID; CE: 30 eV DATE: 2023.01.30 AUTHORS: Yoshinao Wada, Osaka Women's and Children's Hospital, Osaka Prefectural Hospital Organization, 840 Murodou, Izumi City, Osaka 594-1101, Japan. LICENSE: CC BY @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FPBCRLIOSBQLHS-QVTSYAGHSA-N CH$LINK: PUBCHEM CID:53810987 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: Triple Quad 4500 (AB Sciex Pte. Ltd., USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ02399.txt b/MSSJ/MSBNK-MSSJ-MSJ02399.txt index 8609dadd5c6..7bd87cfb128 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ02399.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ02399.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ02399 -RECORD_TITLE: Glc4; ESI-QQ; MS2; Positive; [M+H]+; CID; CE: 40 eV +RECORD_TITLE: Glc4; ESI-QQQ; MS2; Positive; [M+H]+; CID; CE: 40 eV DATE: 2023.01.30 AUTHORS: Yoshinao Wada, Osaka Women's and Children's Hospital, Osaka Prefectural Hospital Organization, 840 Murodou, Izumi City, Osaka 594-1101, Japan. LICENSE: CC BY @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FPBCRLIOSBQLHS-QVTSYAGHSA-N CH$LINK: PUBCHEM CID:53810987 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: Triple Quad 4500 (AB Sciex Pte. Ltd., USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ02400.txt b/MSSJ/MSBNK-MSSJ-MSJ02400.txt index 84216e4ba3e..734672e14c7 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ02400.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ02400.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ02400 -RECORD_TITLE: Glc4; ESI-QQ; MS2; Positive; [M+H]+; CID; CE: 50 eV +RECORD_TITLE: Glc4; ESI-QQQ; MS2; Positive; [M+H]+; CID; CE: 50 eV DATE: 2023.01.30 AUTHORS: Yoshinao Wada, Osaka Women's and Children's Hospital, Osaka Prefectural Hospital Organization, 840 Murodou, Izumi City, Osaka 594-1101, Japan. LICENSE: CC BY @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FPBCRLIOSBQLHS-QVTSYAGHSA-N CH$LINK: PUBCHEM CID:53810987 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: Triple Quad 4500 (AB Sciex Pte. Ltd., USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ02401.txt b/MSSJ/MSBNK-MSSJ-MSJ02401.txt index 89cdd08c776..a2b0bcab33f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ02401.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ02401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ02401 -RECORD_TITLE: Glc4; ESI-QQ; MS2; Negative; [M-H]-; CID; CE: 10 eV +RECORD_TITLE: Glc4; ESI-QQQ; MS2; Negative; [M-H]-; CID; CE: 10 eV DATE: 2023.01.30 AUTHORS: Yoshinao Wada, Osaka Women's and Children's Hospital, Osaka Prefectural Hospital Organization, 840 Murodou, Izumi City, Osaka 594-1101, Japan. LICENSE: CC BY @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FPBCRLIOSBQLHS-QVTSYAGHSA-N CH$LINK: PUBCHEM CID:53810987 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: Triple Quad 4500 (AB Sciex Pte. Ltd., USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ02402.txt b/MSSJ/MSBNK-MSSJ-MSJ02402.txt index 89917389320..9821ee6ee7a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ02402.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ02402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ02402 -RECORD_TITLE: Glc4; ESI-QQ; MS2; Negative; [M-H]-; CID; CE: 15 eV +RECORD_TITLE: Glc4; ESI-QQQ; MS2; Negative; [M-H]-; CID; CE: 15 eV DATE: 2023.01.30 AUTHORS: Yoshinao Wada, Osaka Women's and Children's Hospital, Osaka Prefectural Hospital Organization, 840 Murodou, Izumi City, Osaka 594-1101, Japan. LICENSE: CC BY @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FPBCRLIOSBQLHS-QVTSYAGHSA-N CH$LINK: PUBCHEM CID:53810987 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: Triple Quad 4500 (AB Sciex Pte. Ltd., USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ02403.txt b/MSSJ/MSBNK-MSSJ-MSJ02403.txt index 294910bb81a..101633533f8 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ02403.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ02403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ02403 -RECORD_TITLE: Glc4; ESI-QQ; MS2; Negative; [M-H]-; CID; CE: 20 eV +RECORD_TITLE: Glc4; ESI-QQQ; MS2; Negative; [M-H]-; CID; CE: 20 eV DATE: 2023.01.30 AUTHORS: Yoshinao Wada, Osaka Women's and Children's Hospital, Osaka Prefectural Hospital Organization, 840 Murodou, Izumi City, Osaka 594-1101, Japan. LICENSE: CC BY @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FPBCRLIOSBQLHS-QVTSYAGHSA-N CH$LINK: PUBCHEM CID:53810987 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: Triple Quad 4500 (AB Sciex Pte. Ltd., USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ02404.txt b/MSSJ/MSBNK-MSSJ-MSJ02404.txt index 9ed926bd591..685ee91f516 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ02404.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ02404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ02404 -RECORD_TITLE: Glc4; ESI-QQ; MS2; Negative; [M-H]-; CID; CE: 30 eV +RECORD_TITLE: Glc4; ESI-QQQ; MS2; Negative; [M-H]-; CID; CE: 30 eV DATE: 2023.01.30 AUTHORS: Yoshinao Wada, Osaka Women's and Children's Hospital, Osaka Prefectural Hospital Organization, 840 Murodou, Izumi City, Osaka 594-1101, Japan. LICENSE: CC BY @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FPBCRLIOSBQLHS-QVTSYAGHSA-N CH$LINK: PUBCHEM CID:53810987 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: Triple Quad 4500 (AB Sciex Pte. Ltd., USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ02405.txt b/MSSJ/MSBNK-MSSJ-MSJ02405.txt index cce5b156bd7..380b1222e6c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ02405.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ02405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ02405 -RECORD_TITLE: Glc4; ESI-QQ; MS2; Negative; [M-H]-; CID; CE: 40 eV +RECORD_TITLE: Glc4; ESI-QQQ; MS2; Negative; [M-H]-; CID; CE: 40 eV DATE: 2023.01.30 AUTHORS: Yoshinao Wada, Osaka Women's and Children's Hospital, Osaka Prefectural Hospital Organization, 840 Murodou, Izumi City, Osaka 594-1101, Japan. LICENSE: CC BY @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FPBCRLIOSBQLHS-QVTSYAGHSA-N CH$LINK: PUBCHEM CID:53810987 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: Triple Quad 4500 (AB Sciex Pte. Ltd., USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ02406.txt b/MSSJ/MSBNK-MSSJ-MSJ02406.txt index d3f5b30beff..067e27817e4 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ02406.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ02406.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ02406 -RECORD_TITLE: GlcNAcAsn; ESI-QQ; MS2; Positive; [M+H]+; CID; CE: 10 eV +RECORD_TITLE: GlcNAcAsn; ESI-QQQ; MS2; Positive; [M+H]+; CID; CE: 10 eV DATE: 2023.02.22 AUTHORS: Yoshinao Wada, Osaka Women's and Children's Hospital, Osaka Prefectural Hospital Organization, 840 Murodou, Izumi City, Osaka 594-1101, Japan. LICENSE: CC BY @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY YTTRPBWEMMPYSW-HRRFRDKFSA-N CH$LINK: PUBCHEM CID:123826 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: Triple Quad 4500 (AB Sciex Pte. Ltd., USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ02407.txt b/MSSJ/MSBNK-MSSJ-MSJ02407.txt index 071f024024e..c3f502e011a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ02407.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ02407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ02407 -RECORD_TITLE: GlcNAcAsn; ESI-QQ; MS2; Positive; [M+H]+; CID; CE: 15 eV +RECORD_TITLE: GlcNAcAsn; ESI-QQQ; MS2; Positive; [M+H]+; CID; CE: 15 eV DATE: 2023.02.22 AUTHORS: Yoshinao Wada, Osaka Women's and Children's Hospital, Osaka Prefectural Hospital Organization, 840 Murodou, Izumi City, Osaka 594-1101, Japan. LICENSE: CC BY @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY YTTRPBWEMMPYSW-HRRFRDKFSA-N CH$LINK: PUBCHEM CID:123826 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: Triple Quad 4500 (AB Sciex Pte. Ltd., USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ02408.txt b/MSSJ/MSBNK-MSSJ-MSJ02408.txt index f864d4828c8..78cb22858fd 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ02408.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ02408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ02408 -RECORD_TITLE: GlcNAcAsn; ESI-QQ; MS2; Positive; [M+H]+; CID; CE: 20 eV +RECORD_TITLE: GlcNAcAsn; ESI-QQQ; MS2; Positive; [M+H]+; CID; CE: 20 eV DATE: 2023.02.22 AUTHORS: Yoshinao Wada, Osaka Women's and Children's Hospital, Osaka Prefectural Hospital Organization, 840 Murodou, Izumi City, Osaka 594-1101, Japan. LICENSE: CC BY @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY YTTRPBWEMMPYSW-HRRFRDKFSA-N CH$LINK: PUBCHEM CID:123826 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: Triple Quad 4500 (AB Sciex Pte. Ltd., USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ02409.txt b/MSSJ/MSBNK-MSSJ-MSJ02409.txt index 4bc2a8a5328..01bcf89fb96 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ02409.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ02409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ02409 -RECORD_TITLE: GlcNAcAsn; ESI-QQ; MS2; Positive; [M+H]+; CID; CE: 30 eV +RECORD_TITLE: GlcNAcAsn; ESI-QQQ; MS2; Positive; [M+H]+; CID; CE: 30 eV DATE: 2023.02.22 AUTHORS: Yoshinao Wada, Osaka Women's and Children's Hospital, Osaka Prefectural Hospital Organization, 840 Murodou, Izumi City, Osaka 594-1101, Japan. LICENSE: CC BY @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY YTTRPBWEMMPYSW-HRRFRDKFSA-N CH$LINK: PUBCHEM CID:123826 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: Triple Quad 4500 (AB Sciex Pte. Ltd., USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ02410.txt b/MSSJ/MSBNK-MSSJ-MSJ02410.txt index b1e2aeafbee..708cd3e7888 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ02410.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ02410.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ02410 -RECORD_TITLE: GlcNAcAsn; ESI-QQ; MS2; Negative; [M-H]-; CID; CE: 10 eV +RECORD_TITLE: GlcNAcAsn; ESI-QQQ; MS2; Negative; [M-H]-; CID; CE: 10 eV DATE: 2023.02.22 AUTHORS: Yoshinao Wada, Osaka Women's and Children's Hospital, Osaka Prefectural Hospital Organization, 840 Murodou, Izumi City, Osaka 594-1101, Japan. LICENSE: CC BY @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY YTTRPBWEMMPYSW-HRRFRDKFSA-N CH$LINK: PUBCHEM CID:123826 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: Triple Quad 4500 (AB Sciex Pte. Ltd., USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ02411.txt b/MSSJ/MSBNK-MSSJ-MSJ02411.txt index 961c566255e..a6f5ca7e268 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ02411.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ02411.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ02411 -RECORD_TITLE: GlcNAcAsn; ESI-QQ; MS2; Negative; [M-H]-; CID; CE: 15 eV +RECORD_TITLE: GlcNAcAsn; ESI-QQQ; MS2; Negative; [M-H]-; CID; CE: 15 eV DATE: 2023.02.22 AUTHORS: Yoshinao Wada, Osaka Women's and Children's Hospital, Osaka Prefectural Hospital Organization, 840 Murodou, Izumi City, Osaka 594-1101, Japan. LICENSE: CC BY @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY YTTRPBWEMMPYSW-HRRFRDKFSA-N CH$LINK: PUBCHEM CID:123826 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: Triple Quad 4500 (AB Sciex Pte. Ltd., USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ02412.txt b/MSSJ/MSBNK-MSSJ-MSJ02412.txt index dad60cf8c1e..a7054cc178d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ02412.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ02412.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ02412 -RECORD_TITLE: GlcNAcAsn; ESI-QQ; MS2; Negative; [M-H]-; CID; CE: 20 eV +RECORD_TITLE: GlcNAcAsn; ESI-QQQ; MS2; Negative; [M-H]-; CID; CE: 20 eV DATE: 2023.02.22 AUTHORS: Yoshinao Wada, Osaka Women's and Children's Hospital, Osaka Prefectural Hospital Organization, 840 Murodou, Izumi City, Osaka 594-1101, Japan. LICENSE: CC BY @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY YTTRPBWEMMPYSW-HRRFRDKFSA-N CH$LINK: PUBCHEM CID:123826 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: Triple Quad 4500 (AB Sciex Pte. Ltd., USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ02413.txt b/MSSJ/MSBNK-MSSJ-MSJ02413.txt index 12b744d746f..59a902d2bec 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ02413.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ02413.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ02413 -RECORD_TITLE: GlcNAcAsn; ESI-QQ; MS2; Negative; [M-H]-; CID; CE: 30 eV +RECORD_TITLE: GlcNAcAsn; ESI-QQQ; MS2; Negative; [M-H]-; CID; CE: 30 eV DATE: 2023.02.22 AUTHORS: Yoshinao Wada, Osaka Women's and Children's Hospital, Osaka Prefectural Hospital Organization, 840 Murodou, Izumi City, Osaka 594-1101, Japan. LICENSE: CC BY @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY YTTRPBWEMMPYSW-HRRFRDKFSA-N CH$LINK: PUBCHEM CID:123826 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: Triple Quad 4500 (AB Sciex Pte. Ltd., USA) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV diff --git a/MSSJ/MSBNK-MSSJ-MSJ03000.txt b/MSSJ/MSBNK-MSSJ-MSJ03000.txt index cbbedca1d9e..c29dac082c3 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03000.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03000.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03000 -RECORD_TITLE: Clofedanol; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Clofedanol; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WRCHFMBCVFFYEQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2795 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ03001.txt b/MSSJ/MSBNK-MSSJ-MSJ03001.txt index 1bcb6610850..b96c7772a6b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03001.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03001 -RECORD_TITLE: Clofedanol; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Clofedanol; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WRCHFMBCVFFYEQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2793 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03002.txt b/MSSJ/MSBNK-MSSJ-MSJ03002.txt index 8d3a103f373..b3c12843234 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03002.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03002 -RECORD_TITLE: Clofedanol; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Clofedanol; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WRCHFMBCVFFYEQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2795 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03003.txt b/MSSJ/MSBNK-MSSJ-MSJ03003.txt index 6fdcebf2dec..a65ffafb3a4 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03003.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03003 -RECORD_TITLE: Clofedanol; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Clofedanol; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WRCHFMBCVFFYEQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2795 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03004.txt b/MSSJ/MSBNK-MSSJ-MSJ03004.txt index 445ee7867c0..3e4586b188f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03004.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03004 -RECORD_TITLE: Clofedanol; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Clofedanol; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WRCHFMBCVFFYEQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2795 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03005.txt b/MSSJ/MSBNK-MSSJ-MSJ03005.txt index 0b147aadb53..2236f9ebf40 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03005.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03005 -RECORD_TITLE: Clofedanol; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Clofedanol; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY WRCHFMBCVFFYEQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2795 CH$LINK: ChemOnt CHEMONTID:0000369; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylmethanes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03006.txt b/MSSJ/MSBNK-MSSJ-MSJ03006.txt index c28faac0a4f..2ed8520aea3 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03006.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03006.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03006 -RECORD_TITLE: Clomipramine; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Clomipramine; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GDLIGKIOYRNHDA-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2801 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ03007.txt b/MSSJ/MSBNK-MSSJ-MSJ03007.txt index 7791ba23544..b67fb2ff97d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03007.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03007 -RECORD_TITLE: Clomipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Clomipramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GDLIGKIOYRNHDA-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2801 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03008.txt b/MSSJ/MSBNK-MSSJ-MSJ03008.txt index bcd5e55b9ce..f9382dabdb0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03008.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03008 -RECORD_TITLE: Clomipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Clomipramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GDLIGKIOYRNHDA-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2801 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03009.txt b/MSSJ/MSBNK-MSSJ-MSJ03009.txt index 8739448108f..a5bf1d1fedc 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03009.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03009 -RECORD_TITLE: Clomipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Clomipramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GDLIGKIOYRNHDA-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2801 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03010.txt b/MSSJ/MSBNK-MSSJ-MSJ03010.txt index 739aca658b2..07741dc729b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03010.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03010.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03010 -RECORD_TITLE: Clomipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Clomipramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GDLIGKIOYRNHDA-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2801 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03011.txt b/MSSJ/MSBNK-MSSJ-MSJ03011.txt index 7d938d46dc5..87356325b91 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03011.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03011.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03011 -RECORD_TITLE: Clomipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Clomipramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY GDLIGKIOYRNHDA-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2801 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03012.txt b/MSSJ/MSBNK-MSSJ-MSJ03012.txt index 8b2d8d3bcee..5b670cbfebc 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03012.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03012.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03012 -RECORD_TITLE: Chlorzoxazone; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Chlorzoxazone; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY TZFWDZFKRBELIQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2733 CH$LINK: ChemOnt CHEMONTID:0001973; Organic compounds; Organoheterocyclic compounds; Benzoxazoles; Benzoxazolones AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ03013.txt b/MSSJ/MSBNK-MSSJ-MSJ03013.txt index 9aecc8a31f0..bee9f5306a1 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03013.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03013.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03013 -RECORD_TITLE: Chlorzoxazone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Chlorzoxazone; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY TZFWDZFKRBELIQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2733 CH$LINK: ChemOnt CHEMONTID:0001973; Organic compounds; Organoheterocyclic compounds; Benzoxazoles; Benzoxazolones AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03014.txt b/MSSJ/MSBNK-MSSJ-MSJ03014.txt index 6b9a5f0b44e..92e08132be3 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03014.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03014.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03014 -RECORD_TITLE: Chlorzoxazone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Chlorzoxazone; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY TZFWDZFKRBELIQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2733 CH$LINK: ChemOnt CHEMONTID:0001973; Organic compounds; Organoheterocyclic compounds; Benzoxazoles; Benzoxazolones AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03015.txt b/MSSJ/MSBNK-MSSJ-MSJ03015.txt index 70ee8e42beb..01046cc033d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03015.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03015.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03015 -RECORD_TITLE: Chlorzoxazone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Chlorzoxazone; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY TZFWDZFKRBELIQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2733 CH$LINK: ChemOnt CHEMONTID:0001973; Organic compounds; Organoheterocyclic compounds; Benzoxazoles; Benzoxazolones AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03016.txt b/MSSJ/MSBNK-MSSJ-MSJ03016.txt index db5a566d9bf..6bab31ac545 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03016.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03016.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03016 -RECORD_TITLE: Chlorzoxazone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Chlorzoxazone; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY TZFWDZFKRBELIQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2733 CH$LINK: ChemOnt CHEMONTID:0001973; Organic compounds; Organoheterocyclic compounds; Benzoxazoles; Benzoxazolones AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03017.txt b/MSSJ/MSBNK-MSSJ-MSJ03017.txt index ef786b5bf6c..91f752863f3 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03017.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03017.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03017 -RECORD_TITLE: Chlorzoxazone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Chlorzoxazone; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY TZFWDZFKRBELIQ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2733 CH$LINK: ChemOnt CHEMONTID:0001973; Organic compounds; Organoheterocyclic compounds; Benzoxazoles; Benzoxazolones AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03018.txt b/MSSJ/MSBNK-MSSJ-MSJ03018.txt index d000b46c781..cae0d0fcac5 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03018.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03018.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03018 -RECORD_TITLE: Chlorpheniramine; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Chlorpheniramine; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SOYKEARSMXGVTM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2725 CH$LINK: ChemOnt CHEMONTID:0000184; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ03019.txt b/MSSJ/MSBNK-MSSJ-MSJ03019.txt index 9ed46dbc105..a27d3967532 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03019.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03019.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03019 -RECORD_TITLE: Chlorpheniramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Chlorpheniramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SOYKEARSMXGVTM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2725 CH$LINK: ChemOnt CHEMONTID:0000184; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03020.txt b/MSSJ/MSBNK-MSSJ-MSJ03020.txt index 04ff9248f05..0288602c86f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03020.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03020.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03020 -RECORD_TITLE: Chlorpheniramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Chlorpheniramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SOYKEARSMXGVTM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2725 CH$LINK: ChemOnt CHEMONTID:0000184; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03021.txt b/MSSJ/MSBNK-MSSJ-MSJ03021.txt index 5934fb37fd5..3209baef0d1 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03021.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03021.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03021 -RECORD_TITLE: Chlorpheniramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Chlorpheniramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SOYKEARSMXGVTM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2725 CH$LINK: ChemOnt CHEMONTID:0000184; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03022.txt b/MSSJ/MSBNK-MSSJ-MSJ03022.txt index 5ddff3360b3..46ffb15d2a1 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03022.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03022.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03022 -RECORD_TITLE: Chlorpheniramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Chlorpheniramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SOYKEARSMXGVTM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2725 CH$LINK: ChemOnt CHEMONTID:0000184; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03023.txt b/MSSJ/MSBNK-MSSJ-MSJ03023.txt index cd37a0c2eaa..7d37a438964 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03023.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03023.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03023 -RECORD_TITLE: Chlorpheniramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Chlorpheniramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SOYKEARSMXGVTM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2725 CH$LINK: ChemOnt CHEMONTID:0000184; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pheniramines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03024.txt b/MSSJ/MSBNK-MSSJ-MSJ03024.txt index 860c8e0a010..0b7ab6386e2 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03024.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03024.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03024 -RECORD_TITLE: Cyproheptadine; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Cyproheptadine; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JJCFRYNCJDLXIK-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2913 CH$LINK: ChemOnt CHEMONTID:0000019; Organic compounds; Benzenoids; Dibenzocycloheptenes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ03025.txt b/MSSJ/MSBNK-MSSJ-MSJ03025.txt index 7f5d420785c..2d851bac6d8 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03025.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03025.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03025 -RECORD_TITLE: Cyproheptadine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Cyproheptadine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JJCFRYNCJDLXIK-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2913 CH$LINK: ChemOnt CHEMONTID:0000019; Organic compounds; Benzenoids; Dibenzocycloheptenes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03026.txt b/MSSJ/MSBNK-MSSJ-MSJ03026.txt index 6e084fa1aa6..12b352b3bfc 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03026.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03026.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03026 -RECORD_TITLE: Cyproheptadine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Cyproheptadine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JJCFRYNCJDLXIK-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2913 CH$LINK: ChemOnt CHEMONTID:0000019; Organic compounds; Benzenoids; Dibenzocycloheptenes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03027.txt b/MSSJ/MSBNK-MSSJ-MSJ03027.txt index 619103bc696..14a83229f0e 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03027.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03027.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03027 -RECORD_TITLE: Cyproheptadine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Cyproheptadine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JJCFRYNCJDLXIK-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2913 CH$LINK: ChemOnt CHEMONTID:0000019; Organic compounds; Benzenoids; Dibenzocycloheptenes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03028.txt b/MSSJ/MSBNK-MSSJ-MSJ03028.txt index bb41c8caaf8..2beaad9fee7 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03028.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03028.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03028 -RECORD_TITLE: Cyproheptadine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Cyproheptadine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JJCFRYNCJDLXIK-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2913 CH$LINK: ChemOnt CHEMONTID:0000019; Organic compounds; Benzenoids; Dibenzocycloheptenes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03029.txt b/MSSJ/MSBNK-MSSJ-MSJ03029.txt index 5c91cfe73d0..4ed9a93e73d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03029.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03029.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03029 -RECORD_TITLE: Cyproheptadine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Cyproheptadine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY JJCFRYNCJDLXIK-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2913 CH$LINK: ChemOnt CHEMONTID:0000019; Organic compounds; Benzenoids; Dibenzocycloheptenes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03030.txt b/MSSJ/MSBNK-MSSJ-MSJ03030.txt index 6ab5a743785..a49c7787c3c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03030.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03030.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03030 -RECORD_TITLE: Spiperone; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Spiperone; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DKGZKTPJOSAWFA-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5265 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ03031.txt b/MSSJ/MSBNK-MSSJ-MSJ03031.txt index 4afb404e7fd..2817694d0cb 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03031.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03031.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03031 -RECORD_TITLE: Spiperone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Spiperone; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DKGZKTPJOSAWFA-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5265 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03032.txt b/MSSJ/MSBNK-MSSJ-MSJ03032.txt index 290374c0ac0..c5fd69cfada 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03032.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03032.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03032 -RECORD_TITLE: Spiperone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Spiperone; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DKGZKTPJOSAWFA-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5265 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03033.txt b/MSSJ/MSBNK-MSSJ-MSJ03033.txt index 3505e7624f5..44d06303040 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03033.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03033.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03033 -RECORD_TITLE: Spiperone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Spiperone; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DKGZKTPJOSAWFA-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5265 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03034.txt b/MSSJ/MSBNK-MSSJ-MSJ03034.txt index 2749ab85702..9e94f73260d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03034.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03034.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03034 -RECORD_TITLE: Spiperone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Spiperone; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DKGZKTPJOSAWFA-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5265 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03035.txt b/MSSJ/MSBNK-MSSJ-MSJ03035.txt index a07fa173574..ec89d2510fa 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03035.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03035.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03035 -RECORD_TITLE: Spiperone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Spiperone; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DKGZKTPJOSAWFA-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5265 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03036.txt b/MSSJ/MSBNK-MSSJ-MSJ03036.txt index 1fb018acb6b..383d39da3fc 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03036.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03036.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03036 -RECORD_TITLE: Spiperone; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Spiperone; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DKGZKTPJOSAWFA-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5265 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ03037.txt b/MSSJ/MSBNK-MSSJ-MSJ03037.txt index 269c1606f22..41154fd6f21 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03037.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03037.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03037 -RECORD_TITLE: Spiperone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Spiperone; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DKGZKTPJOSAWFA-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5265 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03038.txt b/MSSJ/MSBNK-MSSJ-MSJ03038.txt index 81f8a1a4b1b..98c653378c7 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03038.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03038.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03038 -RECORD_TITLE: Spiperone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Spiperone; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DKGZKTPJOSAWFA-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5265 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03039.txt b/MSSJ/MSBNK-MSSJ-MSJ03039.txt index bf87bfae3b0..5cb2806277b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03039.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03039.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03039 -RECORD_TITLE: Spiperone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Spiperone; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DKGZKTPJOSAWFA-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5265 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03040.txt b/MSSJ/MSBNK-MSSJ-MSJ03040.txt index fee4d85d817..f39857f8b1b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03040.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03040.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03040 -RECORD_TITLE: Spiperone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Spiperone; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DKGZKTPJOSAWFA-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5265 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03041.txt b/MSSJ/MSBNK-MSSJ-MSJ03041.txt index b32a4d442ab..febbf8085a9 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03041.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03041.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03041 -RECORD_TITLE: Spiperone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Spiperone; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DKGZKTPJOSAWFA-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5265 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03042.txt b/MSSJ/MSBNK-MSSJ-MSJ03042.txt index 08421495d5a..d3266d593a4 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03042.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03042.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03042 -RECORD_TITLE: Sulindac; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Sulindac; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N CH$LINK: PUBCHEM CID:1548887 CH$LINK: ChemOnt CHEMONTID:0000021; Organic compounds; Benzenoids; Indenes and isoindenes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ03043.txt b/MSSJ/MSBNK-MSSJ-MSJ03043.txt index 8cb96abc046..4340ae5df86 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03043.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03043.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03043 -RECORD_TITLE: Sulindac; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Sulindac; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N CH$LINK: PUBCHEM CID:1548887 CH$LINK: ChemOnt CHEMONTID:0000021; Organic compounds; Benzenoids; Indenes and isoindenes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03044.txt b/MSSJ/MSBNK-MSSJ-MSJ03044.txt index 1e6d73e05cd..30ccf000a43 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03044.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03044.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03044 -RECORD_TITLE: Sulindac; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Sulindac; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N CH$LINK: PUBCHEM CID:1548887 CH$LINK: ChemOnt CHEMONTID:0000021; Organic compounds; Benzenoids; Indenes and isoindenes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03045.txt b/MSSJ/MSBNK-MSSJ-MSJ03045.txt index f4b5e16303f..c330a97d114 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03045.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03045.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03045 -RECORD_TITLE: Sulindac; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Sulindac; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N CH$LINK: PUBCHEM CID:1548887 CH$LINK: ChemOnt CHEMONTID:0000021; Organic compounds; Benzenoids; Indenes and isoindenes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03046.txt b/MSSJ/MSBNK-MSSJ-MSJ03046.txt index b8a44344694..c536f8614db 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03046.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03046.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03046 -RECORD_TITLE: Sulindac; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Sulindac; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N CH$LINK: PUBCHEM CID:1548887 CH$LINK: ChemOnt CHEMONTID:0000021; Organic compounds; Benzenoids; Indenes and isoindenes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03047.txt b/MSSJ/MSBNK-MSSJ-MSJ03047.txt index 410976b81df..d2df5ed60eb 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03047.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03047.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03047 -RECORD_TITLE: Sulindac; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Sulindac; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N CH$LINK: PUBCHEM CID:1548887 CH$LINK: ChemOnt CHEMONTID:0000021; Organic compounds; Benzenoids; Indenes and isoindenes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03048.txt b/MSSJ/MSBNK-MSSJ-MSJ03048.txt index 26ec1f46ea1..38fd56f7a0a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03048.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03048.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03048 -RECORD_TITLE: Sulindac; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Sulindac; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N CH$LINK: PUBCHEM CID:1548887 CH$LINK: ChemOnt CHEMONTID:0000021; Organic compounds; Benzenoids; Indenes and isoindenes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ03049.txt b/MSSJ/MSBNK-MSSJ-MSJ03049.txt index 128115e80c1..6f416de6fb0 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03049.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03049.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03049 -RECORD_TITLE: Sulindac; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-HCO2]- +RECORD_TITLE: Sulindac; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-HCO2]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N CH$LINK: PUBCHEM CID:1548887 CH$LINK: ChemOnt CHEMONTID:0000021; Organic compounds; Benzenoids; Indenes and isoindenes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03050.txt b/MSSJ/MSBNK-MSSJ-MSJ03050.txt index da3af1fde2e..f71287e65c6 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03050.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03050.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03050 -RECORD_TITLE: Sulindac; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-HCO2]- +RECORD_TITLE: Sulindac; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-HCO2]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N CH$LINK: PUBCHEM CID:1548887 CH$LINK: ChemOnt CHEMONTID:0000021; Organic compounds; Benzenoids; Indenes and isoindenes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03051.txt b/MSSJ/MSBNK-MSSJ-MSJ03051.txt index eeb62191fb9..b6b6a49734e 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03051.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03051.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03051 -RECORD_TITLE: Sulindac; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-HCO2]- +RECORD_TITLE: Sulindac; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-HCO2]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N CH$LINK: PUBCHEM CID:1548887 CH$LINK: ChemOnt CHEMONTID:0000021; Organic compounds; Benzenoids; Indenes and isoindenes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03052.txt b/MSSJ/MSBNK-MSSJ-MSJ03052.txt index 2a734e14b50..7673462c0e5 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03052.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03052.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03052 -RECORD_TITLE: Sulindac; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-HCO2]- +RECORD_TITLE: Sulindac; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-HCO2]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N CH$LINK: PUBCHEM CID:1548887 CH$LINK: ChemOnt CHEMONTID:0000021; Organic compounds; Benzenoids; Indenes and isoindenes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03053.txt b/MSSJ/MSBNK-MSSJ-MSJ03053.txt index 165ef2694d0..4991b65c63e 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03053.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03053.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03053 -RECORD_TITLE: Sulindac; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-HCO2]- +RECORD_TITLE: Sulindac; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-HCO2]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY MLKXDPUZXIRXEP-MFOYZWKCSA-N CH$LINK: PUBCHEM CID:1548887 CH$LINK: ChemOnt CHEMONTID:0000021; Organic compounds; Benzenoids; Indenes and isoindenes AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03054.txt b/MSSJ/MSBNK-MSSJ-MSJ03054.txt index e0fe0fd5882..d14fa2d7bfe 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03054.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03054.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03054 -RECORD_TITLE: Sultopride; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Sultopride; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UNRHXEPDKXPRTM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5357 CH$LINK: ChemOnt CHEMONTID:0004233; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ03055.txt b/MSSJ/MSBNK-MSSJ-MSJ03055.txt index 1d1d357c716..036cc2bce55 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03055.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03055.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03055 -RECORD_TITLE: Sultopride; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Sultopride; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UNRHXEPDKXPRTM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5357 CH$LINK: ChemOnt CHEMONTID:0004233; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03056.txt b/MSSJ/MSBNK-MSSJ-MSJ03056.txt index 1aabdb7ec94..22a2667baaa 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03056.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03056.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03056 -RECORD_TITLE: Sultopride; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Sultopride; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UNRHXEPDKXPRTM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5357 CH$LINK: ChemOnt CHEMONTID:0004233; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03057.txt b/MSSJ/MSBNK-MSSJ-MSJ03057.txt index 7cde9d82ebb..d80b46a6d10 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03057.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03057.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03057 -RECORD_TITLE: Sultopride; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Sultopride; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UNRHXEPDKXPRTM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5357 CH$LINK: ChemOnt CHEMONTID:0004233; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03058.txt b/MSSJ/MSBNK-MSSJ-MSJ03058.txt index 6c7fa33211a..ce9e9ab4241 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03058.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03058.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03058 -RECORD_TITLE: Sultopride; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Sultopride; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UNRHXEPDKXPRTM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5357 CH$LINK: ChemOnt CHEMONTID:0004233; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03059.txt b/MSSJ/MSBNK-MSSJ-MSJ03059.txt index 279350be917..6b4ace1c4db 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03059.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03059.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03059 -RECORD_TITLE: Sultopride; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Sultopride; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UNRHXEPDKXPRTM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5357 CH$LINK: ChemOnt CHEMONTID:0004233; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03060.txt b/MSSJ/MSBNK-MSSJ-MSJ03060.txt index c520b46f271..dc04c377ec6 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03060.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03060.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03060 -RECORD_TITLE: Sultopride; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Sultopride; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UNRHXEPDKXPRTM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5357 CH$LINK: ChemOnt CHEMONTID:0004233; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ03061.txt b/MSSJ/MSBNK-MSSJ-MSJ03061.txt index 4776ef4afcd..bf86eb9f1f7 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03061.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03061.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03061 -RECORD_TITLE: Sultopride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Sultopride; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UNRHXEPDKXPRTM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5357 CH$LINK: ChemOnt CHEMONTID:0004233; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03062.txt b/MSSJ/MSBNK-MSSJ-MSJ03062.txt index ecb75160018..fe38d153c96 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03062.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03062.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03062 -RECORD_TITLE: Sultopride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Sultopride; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UNRHXEPDKXPRTM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5357 CH$LINK: ChemOnt CHEMONTID:0004233; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03063.txt b/MSSJ/MSBNK-MSSJ-MSJ03063.txt index b225243cf60..2d8040fb678 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03063.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03063.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03063 -RECORD_TITLE: Sultopride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Sultopride; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UNRHXEPDKXPRTM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5357 CH$LINK: ChemOnt CHEMONTID:0004233; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03064.txt b/MSSJ/MSBNK-MSSJ-MSJ03064.txt index 79be484b865..ee17ee68165 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03064.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03064.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03064 -RECORD_TITLE: Sultopride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Sultopride; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UNRHXEPDKXPRTM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5357 CH$LINK: ChemOnt CHEMONTID:0004233; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03065.txt b/MSSJ/MSBNK-MSSJ-MSJ03065.txt index df46257884d..18d9bf59574 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03065.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03065.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03065 -RECORD_TITLE: Sultopride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Sultopride; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UNRHXEPDKXPRTM-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5357 CH$LINK: ChemOnt CHEMONTID:0004233; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03066.txt b/MSSJ/MSBNK-MSSJ-MSJ03066.txt index 412be7df34f..0d8f0467bb9 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03066.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03066.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03066 -RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Sulpiride; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5355 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ03067.txt b/MSSJ/MSBNK-MSSJ-MSJ03067.txt index 3d1b101aedb..876405b5394 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03067.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03067.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03067 -RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Sulpiride; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5355 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03068.txt b/MSSJ/MSBNK-MSSJ-MSJ03068.txt index 2a803eb90dc..97229eb7a94 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03068.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03068.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03068 -RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Sulpiride; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5355 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03069.txt b/MSSJ/MSBNK-MSSJ-MSJ03069.txt index 0f7e8a1c162..0d1b0ed3471 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03069.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03069.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03069 -RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Sulpiride; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5355 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03070.txt b/MSSJ/MSBNK-MSSJ-MSJ03070.txt index 3622f0938ef..61e8701f69b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03070.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03070.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03070 -RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Sulpiride; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5355 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03071.txt b/MSSJ/MSBNK-MSSJ-MSJ03071.txt index ad5c9d0fd83..1d6c1d8a4c3 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03071.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03071.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03071 -RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Sulpiride; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5355 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03072.txt b/MSSJ/MSBNK-MSSJ-MSJ03072.txt index d3089dd3437..5e1163b8f35 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03072.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03072.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03072 -RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Sulpiride; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5355 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ03073.txt b/MSSJ/MSBNK-MSSJ-MSJ03073.txt index 1de8d646404..83b7f76880b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03073.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03073.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03073 -RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Sulpiride; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5355 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03074.txt b/MSSJ/MSBNK-MSSJ-MSJ03074.txt index 5faf6e4187e..e9d934ebbf8 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03074.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03074.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03074 -RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Sulpiride; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5355 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03075.txt b/MSSJ/MSBNK-MSSJ-MSJ03075.txt index 1bfcaa8c7d3..a0d15a0a9ac 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03075.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03075.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03075 -RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Sulpiride; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5355 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03076.txt b/MSSJ/MSBNK-MSSJ-MSJ03076.txt index f14d8e8e115..c01668e28a3 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03076.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03076.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03076 -RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Sulpiride; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5355 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03077.txt b/MSSJ/MSBNK-MSSJ-MSJ03077.txt index 7439db69e60..a35ec618123 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03077.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03077.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03077 -RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Sulpiride; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5355 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03078.txt b/MSSJ/MSBNK-MSSJ-MSJ03078.txt index 5c507e51bdd..b64260aa857 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03078.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03078.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03078 -RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M+HCO2]- +RECORD_TITLE: Sulpiride; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M+HCO2]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5355 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03079.txt b/MSSJ/MSBNK-MSSJ-MSJ03079.txt index d48de145047..f7d3d918184 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03079.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03079.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03079 -RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M+HCO2]- +RECORD_TITLE: Sulpiride; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M+HCO2]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5355 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03080.txt b/MSSJ/MSBNK-MSSJ-MSJ03080.txt index 51a926dae57..1c3b41b0aba 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03080.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03080.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03080 -RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M+HCO2]- +RECORD_TITLE: Sulpiride; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M+HCO2]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5355 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03081.txt b/MSSJ/MSBNK-MSSJ-MSJ03081.txt index 465905903d4..dd8ba72249f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03081.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03081.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03081 -RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M+HCO2]- +RECORD_TITLE: Sulpiride; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M+HCO2]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5355 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03082.txt b/MSSJ/MSBNK-MSSJ-MSJ03082.txt index 703a2adf2ba..39d96b2a197 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03082.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03082.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03082 -RECORD_TITLE: Sulpiride; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M+HCO2]- +RECORD_TITLE: Sulpiride; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M+HCO2]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY BGRJTUBHPOOWDU-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5355 CH$LINK: ChemOnt CHEMONTID:0000031; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzenesulfonamides AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03083.txt b/MSSJ/MSBNK-MSSJ-MSJ03083.txt index f6928208bd2..6152ee728da 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03083.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03083.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03083 -RECORD_TITLE: Secobarbital; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Secobarbital; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KQPKPCNLIDLUMF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5193 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ03084.txt b/MSSJ/MSBNK-MSSJ-MSJ03084.txt index 1138bcd2eb5..c958f9f7c93 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03084.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03084.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03084 -RECORD_TITLE: Secobarbital; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Secobarbital; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KQPKPCNLIDLUMF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5193 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03085.txt b/MSSJ/MSBNK-MSSJ-MSJ03085.txt index d428da45281..56bcab084c9 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03085.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03085.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03085 -RECORD_TITLE: Secobarbital; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Secobarbital; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KQPKPCNLIDLUMF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5193 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03086.txt b/MSSJ/MSBNK-MSSJ-MSJ03086.txt index 417bda3857d..a67f3c241d6 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03086.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03086.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03086 -RECORD_TITLE: Secobarbital; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Secobarbital; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KQPKPCNLIDLUMF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5193 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03087.txt b/MSSJ/MSBNK-MSSJ-MSJ03087.txt index 872fff1f32b..476e814711a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03087.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03087.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03087 -RECORD_TITLE: Secobarbital; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Secobarbital; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KQPKPCNLIDLUMF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5193 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03088.txt b/MSSJ/MSBNK-MSSJ-MSJ03088.txt index 7ae64d834b0..60e5465965f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03088.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03088.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03088 -RECORD_TITLE: Secobarbital; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Secobarbital; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KQPKPCNLIDLUMF-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5193 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03089.txt b/MSSJ/MSBNK-MSSJ-MSJ03089.txt index 222f7829352..e9c9f8364a9 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03089.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03089.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03089 -RECORD_TITLE: Zotepine; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Zotepine; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HDOZVRUNCMBHFH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5736 CH$LINK: ChemOnt CHEMONTID:0000232; Organic compounds; Organoheterocyclic compounds; Benzothiepins; Dibenzothiepins AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ03090.txt b/MSSJ/MSBNK-MSSJ-MSJ03090.txt index 309e9671f2e..0054246b381 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03090.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03090.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03090 -RECORD_TITLE: Zotepine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Zotepine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HDOZVRUNCMBHFH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5736 CH$LINK: ChemOnt CHEMONTID:0000232; Organic compounds; Organoheterocyclic compounds; Benzothiepins; Dibenzothiepins AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03091.txt b/MSSJ/MSBNK-MSSJ-MSJ03091.txt index ca0f8b9545b..d21cbdefa32 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03091.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03091.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03091 -RECORD_TITLE: Zotepine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Zotepine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HDOZVRUNCMBHFH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5736 CH$LINK: ChemOnt CHEMONTID:0000232; Organic compounds; Organoheterocyclic compounds; Benzothiepins; Dibenzothiepins AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03092.txt b/MSSJ/MSBNK-MSSJ-MSJ03092.txt index f2b4dc3a543..fddda29ff63 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03092.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03092.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03092 -RECORD_TITLE: Zotepine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Zotepine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HDOZVRUNCMBHFH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5736 CH$LINK: ChemOnt CHEMONTID:0000232; Organic compounds; Organoheterocyclic compounds; Benzothiepins; Dibenzothiepins AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03093.txt b/MSSJ/MSBNK-MSSJ-MSJ03093.txt index 90c4ded14ce..b12433415ef 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03093.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03093.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03093 -RECORD_TITLE: Zotepine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Zotepine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HDOZVRUNCMBHFH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5736 CH$LINK: ChemOnt CHEMONTID:0000232; Organic compounds; Organoheterocyclic compounds; Benzothiepins; Dibenzothiepins AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03094.txt b/MSSJ/MSBNK-MSSJ-MSJ03094.txt index 09b173320d5..a96c2ce04df 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03094.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03094.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03094 -RECORD_TITLE: Zotepine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Zotepine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HDOZVRUNCMBHFH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5736 CH$LINK: ChemOnt CHEMONTID:0000232; Organic compounds; Organoheterocyclic compounds; Benzothiepins; Dibenzothiepins AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03095.txt b/MSSJ/MSBNK-MSSJ-MSJ03095.txt index 7485fc7c461..ba2b26c1138 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03095.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03095.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03095 -RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Zonisamide; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5734 CH$LINK: ChemOnt CHEMONTID:0002332; Organic compounds; Organoheterocyclic compounds; Benzisoxazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ03096.txt b/MSSJ/MSBNK-MSSJ-MSJ03096.txt index 24a9d415b23..afff0ac3285 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03096.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03096.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03096 -RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Zonisamide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5734 CH$LINK: ChemOnt CHEMONTID:0002332; Organic compounds; Organoheterocyclic compounds; Benzisoxazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03097.txt b/MSSJ/MSBNK-MSSJ-MSJ03097.txt index 488563216fb..c9f510a6d0f 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03097.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03097.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03097 -RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Zonisamide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5734 CH$LINK: ChemOnt CHEMONTID:0002332; Organic compounds; Organoheterocyclic compounds; Benzisoxazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03098.txt b/MSSJ/MSBNK-MSSJ-MSJ03098.txt index cf0d5faa946..fd865ccc124 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03098.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03098.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03098 -RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Zonisamide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5734 CH$LINK: ChemOnt CHEMONTID:0002332; Organic compounds; Organoheterocyclic compounds; Benzisoxazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03099.txt b/MSSJ/MSBNK-MSSJ-MSJ03099.txt index ee398da2f57..6f8e29a82ac 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03099.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03099.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03099 -RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Zonisamide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5734 CH$LINK: ChemOnt CHEMONTID:0002332; Organic compounds; Organoheterocyclic compounds; Benzisoxazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03100.txt b/MSSJ/MSBNK-MSSJ-MSJ03100.txt index 7b1001b33c7..a62883bc185 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03100.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03100.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03100 -RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Zonisamide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5734 CH$LINK: ChemOnt CHEMONTID:0002332; Organic compounds; Organoheterocyclic compounds; Benzisoxazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03102.txt b/MSSJ/MSBNK-MSSJ-MSJ03102.txt index f2fd5e82242..927bb52b480 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03102.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03102 -RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+NH4]+ +RECORD_TITLE: Zonisamide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+NH4]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5734 CH$LINK: ChemOnt CHEMONTID:0002332; Organic compounds; Organoheterocyclic compounds; Benzisoxazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03103.txt b/MSSJ/MSBNK-MSSJ-MSJ03103.txt index 1298817473b..cfad5f61f96 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03103.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03103 -RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+NH4]+ +RECORD_TITLE: Zonisamide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+NH4]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5734 CH$LINK: ChemOnt CHEMONTID:0002332; Organic compounds; Organoheterocyclic compounds; Benzisoxazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03104.txt b/MSSJ/MSBNK-MSSJ-MSJ03104.txt index 118bba6edfc..39f4e97cea7 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03104.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03104 -RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+NH4]+ +RECORD_TITLE: Zonisamide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+NH4]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5734 CH$LINK: ChemOnt CHEMONTID:0002332; Organic compounds; Organoheterocyclic compounds; Benzisoxazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03105.txt b/MSSJ/MSBNK-MSSJ-MSJ03105.txt index a1834ae709d..a32aea4b548 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03105.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03105 -RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+NH4]+ +RECORD_TITLE: Zonisamide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+NH4]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5734 CH$LINK: ChemOnt CHEMONTID:0002332; Organic compounds; Organoheterocyclic compounds; Benzisoxazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03106.txt b/MSSJ/MSBNK-MSSJ-MSJ03106.txt index 585255daa26..c9c0b6ede43 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03106.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03106 -RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+Na]+ +RECORD_TITLE: Zonisamide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+Na]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5734 CH$LINK: ChemOnt CHEMONTID:0002332; Organic compounds; Organoheterocyclic compounds; Benzisoxazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03107.txt b/MSSJ/MSBNK-MSSJ-MSJ03107.txt index 94c5c2cbedc..a81dfc13e3a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03107.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03107 -RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+Na]+ +RECORD_TITLE: Zonisamide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+Na]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5734 CH$LINK: ChemOnt CHEMONTID:0002332; Organic compounds; Organoheterocyclic compounds; Benzisoxazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03108.txt b/MSSJ/MSBNK-MSSJ-MSJ03108.txt index aac993dbfc1..4c73d16340b 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03108.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03108 -RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+Na]+ +RECORD_TITLE: Zonisamide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+Na]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5734 CH$LINK: ChemOnt CHEMONTID:0002332; Organic compounds; Organoheterocyclic compounds; Benzisoxazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03109.txt b/MSSJ/MSBNK-MSSJ-MSJ03109.txt index 0e0fc778418..3ea8bcefcc7 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03109.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03109 -RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+Na]+ +RECORD_TITLE: Zonisamide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+Na]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5734 CH$LINK: ChemOnt CHEMONTID:0002332; Organic compounds; Organoheterocyclic compounds; Benzisoxazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03110.txt b/MSSJ/MSBNK-MSSJ-MSJ03110.txt index c8185c0c466..f86effd1297 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03110.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03110.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03110 -RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+Na]+ +RECORD_TITLE: Zonisamide; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+Na]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5734 CH$LINK: ChemOnt CHEMONTID:0002332; Organic compounds; Organoheterocyclic compounds; Benzisoxazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03111.txt b/MSSJ/MSBNK-MSSJ-MSJ03111.txt index a64761e88f2..fc4a4b4fb77 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03111.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03111.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03111 -RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Zonisamide; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5734 CH$LINK: ChemOnt CHEMONTID:0002332; Organic compounds; Organoheterocyclic compounds; Benzisoxazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ03112.txt b/MSSJ/MSBNK-MSSJ-MSJ03112.txt index ec6bb4a3fbc..34f8a28ea91 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03112.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03112.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03112 -RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Zonisamide; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5734 CH$LINK: ChemOnt CHEMONTID:0002332; Organic compounds; Organoheterocyclic compounds; Benzisoxazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03113.txt b/MSSJ/MSBNK-MSSJ-MSJ03113.txt index dd535731331..1627f4a998d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03113.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03113.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03113 -RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Zonisamide; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5734 CH$LINK: ChemOnt CHEMONTID:0002332; Organic compounds; Organoheterocyclic compounds; Benzisoxazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03114.txt b/MSSJ/MSBNK-MSSJ-MSJ03114.txt index 0f7337cdff7..c95548b3978 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03114.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03114.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03114 -RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Zonisamide; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5734 CH$LINK: ChemOnt CHEMONTID:0002332; Organic compounds; Organoheterocyclic compounds; Benzisoxazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03115.txt b/MSSJ/MSBNK-MSSJ-MSJ03115.txt index 16aabe5ab7f..13f7eda52f7 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03115.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03115.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03115 -RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Zonisamide; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5734 CH$LINK: ChemOnt CHEMONTID:0002332; Organic compounds; Organoheterocyclic compounds; Benzisoxazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03116.txt b/MSSJ/MSBNK-MSSJ-MSJ03116.txt index 1c7bd46daea..5eae749a080 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03116.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03116.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03116 -RECORD_TITLE: Zonisamide; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Zonisamide; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY UBQNRHZMVUUOMG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5734 CH$LINK: ChemOnt CHEMONTID:0002332; Organic compounds; Organoheterocyclic compounds; Benzisoxazoles AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03117.txt b/MSSJ/MSBNK-MSSJ-MSJ03117.txt index d3ac758c713..8b65a653ac6 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03117.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03117.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03117 -RECORD_TITLE: Talipexole; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Talipexole; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DHSSDEDRBUKTQY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5374 CH$LINK: ChemOnt CHEMONTID:0000069; Organic compounds; Organoheterocyclic compounds; Azepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ03118.txt b/MSSJ/MSBNK-MSSJ-MSJ03118.txt index e7c0e97227e..4a2ea09757d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03118.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03118.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03118 -RECORD_TITLE: Talipexole; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Talipexole; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DHSSDEDRBUKTQY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5374 CH$LINK: ChemOnt CHEMONTID:0000069; Organic compounds; Organoheterocyclic compounds; Azepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03119.txt b/MSSJ/MSBNK-MSSJ-MSJ03119.txt index b84dc817ab9..14c99ded9ac 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03119.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03119.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03119 -RECORD_TITLE: Talipexole; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Talipexole; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DHSSDEDRBUKTQY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5374 CH$LINK: ChemOnt CHEMONTID:0000069; Organic compounds; Organoheterocyclic compounds; Azepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03120.txt b/MSSJ/MSBNK-MSSJ-MSJ03120.txt index 733613d4740..be8178e46eb 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03120.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03120.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03120 -RECORD_TITLE: Talipexole; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Talipexole; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DHSSDEDRBUKTQY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5374 CH$LINK: ChemOnt CHEMONTID:0000069; Organic compounds; Organoheterocyclic compounds; Azepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03121.txt b/MSSJ/MSBNK-MSSJ-MSJ03121.txt index 4c57b86cc07..8811f4c12cd 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03121.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03121.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03121 -RECORD_TITLE: Talipexole; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Talipexole; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DHSSDEDRBUKTQY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5374 CH$LINK: ChemOnt CHEMONTID:0000069; Organic compounds; Organoheterocyclic compounds; Azepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03122.txt b/MSSJ/MSBNK-MSSJ-MSJ03122.txt index 3a56f970a19..b0d5cbe1b36 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03122.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03122.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03122 -RECORD_TITLE: Talipexole; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Talipexole; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DHSSDEDRBUKTQY-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5374 CH$LINK: ChemOnt CHEMONTID:0000069; Organic compounds; Organoheterocyclic compounds; Azepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03123.txt b/MSSJ/MSBNK-MSSJ-MSJ03123.txt index b8eed82c3d7..dfbb499a1b6 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03123.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03123.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03123 -RECORD_TITLE: Tandospirone; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Tandospirone; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CEIJFEGBUDEYSX-FZDBZEDMSA-N CH$LINK: PUBCHEM CID:91273 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ03124.txt b/MSSJ/MSBNK-MSSJ-MSJ03124.txt index ad852510df1..969f5773eef 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03124.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03124.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03124 -RECORD_TITLE: Tandospirone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Tandospirone; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CEIJFEGBUDEYSX-FZDBZEDMSA-N CH$LINK: PUBCHEM CID:91273 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03125.txt b/MSSJ/MSBNK-MSSJ-MSJ03125.txt index 2c8b921437e..5fdd322389c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03125.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03125.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03125 -RECORD_TITLE: Tandospirone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Tandospirone; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CEIJFEGBUDEYSX-FZDBZEDMSA-N CH$LINK: PUBCHEM CID:91273 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03126.txt b/MSSJ/MSBNK-MSSJ-MSJ03126.txt index 2ee58f93b8b..5884c67c6a9 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03126.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03126.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03126 -RECORD_TITLE: Tandospirone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Tandospirone; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CEIJFEGBUDEYSX-FZDBZEDMSA-N CH$LINK: PUBCHEM CID:91273 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03127.txt b/MSSJ/MSBNK-MSSJ-MSJ03127.txt index 7913e04c702..559d10b9a16 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03127.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03127.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03127 -RECORD_TITLE: Tandospirone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Tandospirone; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CEIJFEGBUDEYSX-FZDBZEDMSA-N CH$LINK: PUBCHEM CID:91273 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03128.txt b/MSSJ/MSBNK-MSSJ-MSJ03128.txt index 4d21cb9e738..84d78fcf153 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03128.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03128.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03128 -RECORD_TITLE: Tandospirone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Tandospirone; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CEIJFEGBUDEYSX-FZDBZEDMSA-N CH$LINK: PUBCHEM CID:91273 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03129.txt b/MSSJ/MSBNK-MSSJ-MSJ03129.txt index 285cfe78125..be8047b4385 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03129.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03129.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03129 -RECORD_TITLE: Thiamylal; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Thiamylal; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XLOMZPUITCYLMJ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3032285 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ03130.txt b/MSSJ/MSBNK-MSSJ-MSJ03130.txt index 19ea6167b36..873b94f2d93 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03130.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03130.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03130 -RECORD_TITLE: Thiamylal; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Thiamylal; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XLOMZPUITCYLMJ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3032285 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03131.txt b/MSSJ/MSBNK-MSSJ-MSJ03131.txt index c991c893003..77de29b60e8 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03131.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03131.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03131 -RECORD_TITLE: Thiamylal; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Thiamylal; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XLOMZPUITCYLMJ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3032285 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03132.txt b/MSSJ/MSBNK-MSSJ-MSJ03132.txt index 4b5c0374d75..90885675f29 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03132.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03132.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03132 -RECORD_TITLE: Thiamylal; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Thiamylal; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XLOMZPUITCYLMJ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3032285 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03133.txt b/MSSJ/MSBNK-MSSJ-MSJ03133.txt index 0fa4782474c..0b72867334c 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03133.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03133.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03133 -RECORD_TITLE: Thiamylal; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Thiamylal; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XLOMZPUITCYLMJ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3032285 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03134.txt b/MSSJ/MSBNK-MSSJ-MSJ03134.txt index c4a1f495bc6..a0540e2a55d 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03134.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03134.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03134 -RECORD_TITLE: Thiamylal; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Thiamylal; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.04.05 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XLOMZPUITCYLMJ-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3032285 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03135.txt b/MSSJ/MSBNK-MSSJ-MSJ03135.txt index 0ffd6ead684..2e044da4f37 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03135.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03135.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03135 -RECORD_TITLE: Thiopental; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Thiopental; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IUJDSEJGGMCXSG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3000715 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ03136.txt b/MSSJ/MSBNK-MSSJ-MSJ03136.txt index b05a851b753..ced9e29b323 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03136.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03136.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03136 -RECORD_TITLE: Thiopental; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Thiopental; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IUJDSEJGGMCXSG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3000715 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03137.txt b/MSSJ/MSBNK-MSSJ-MSJ03137.txt index 95c7f3d62d4..3a91de77955 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03137.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03137.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03137 -RECORD_TITLE: Thiopental; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Thiopental; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IUJDSEJGGMCXSG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3000715 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03138.txt b/MSSJ/MSBNK-MSSJ-MSJ03138.txt index 632e277d2da..13494a8b432 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03138.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03138.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03138 -RECORD_TITLE: Thiopental; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Thiopental; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IUJDSEJGGMCXSG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3000715 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03139.txt b/MSSJ/MSBNK-MSSJ-MSJ03139.txt index f14ee2e7489..e305f25f3b5 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03139.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03139.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03139 -RECORD_TITLE: Thiopental; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Thiopental; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IUJDSEJGGMCXSG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3000715 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03140.txt b/MSSJ/MSBNK-MSSJ-MSJ03140.txt index 6a900b2fa97..6ae1baf0639 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03140.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03140.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03140 -RECORD_TITLE: Thiopental; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Thiopental; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IUJDSEJGGMCXSG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3000715 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03141.txt b/MSSJ/MSBNK-MSSJ-MSJ03141.txt index 83480527ec2..f629c56020a 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03141.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03141.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03141 -RECORD_TITLE: Thioridazine; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Thioridazine; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KLBQZWRITKRQQV-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5452 CH$LINK: ChemOnt CHEMONTID:0000310; Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ03142.txt b/MSSJ/MSBNK-MSSJ-MSJ03142.txt index f3b0a271748..8cbf0d081ec 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03142.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03142.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03142 -RECORD_TITLE: Thioridazine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Thioridazine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KLBQZWRITKRQQV-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5452 CH$LINK: ChemOnt CHEMONTID:0000310; Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03143.txt b/MSSJ/MSBNK-MSSJ-MSJ03143.txt index eff73c882cf..553bacd83d9 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03143.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03143.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03143 -RECORD_TITLE: Thioridazine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Thioridazine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KLBQZWRITKRQQV-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5452 CH$LINK: ChemOnt CHEMONTID:0000310; Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03144.txt b/MSSJ/MSBNK-MSSJ-MSJ03144.txt index cba348e50a5..c44210d6296 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03144.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03144.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03144 -RECORD_TITLE: Thioridazine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Thioridazine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KLBQZWRITKRQQV-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5452 CH$LINK: ChemOnt CHEMONTID:0000310; Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03145.txt b/MSSJ/MSBNK-MSSJ-MSJ03145.txt index 881f22cfcfc..57013f10c69 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03145.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03145.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03145 -RECORD_TITLE: Thioridazine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Thioridazine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KLBQZWRITKRQQV-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5452 CH$LINK: ChemOnt CHEMONTID:0000310; Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03146.txt b/MSSJ/MSBNK-MSSJ-MSJ03146.txt index c9179f74879..9f45f9e9ae6 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03146.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03146.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03146 -RECORD_TITLE: Thioridazine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Thioridazine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY KLBQZWRITKRQQV-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:5452 CH$LINK: ChemOnt CHEMONTID:0000310; Organic compounds; Organoheterocyclic compounds; Benzothiazines; Phenothiazines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03147.txt b/MSSJ/MSBNK-MSSJ-MSJ03147.txt index a8c879d6a10..6b2768578a2 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03147.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03147.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03147 -RECORD_TITLE: Timiperone; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Timiperone; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YDLQKLWVKKFPII-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3033151 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ03148.txt b/MSSJ/MSBNK-MSSJ-MSJ03148.txt index 4188fc97166..43b7998f619 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03148.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03148.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03148 -RECORD_TITLE: Timiperone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Timiperone; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YDLQKLWVKKFPII-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3033151 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03149.txt b/MSSJ/MSBNK-MSSJ-MSJ03149.txt index 97d9057a781..9e18f8a5bc6 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03149.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03149.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03149 -RECORD_TITLE: Timiperone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Timiperone; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YDLQKLWVKKFPII-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3033151 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03150.txt b/MSSJ/MSBNK-MSSJ-MSJ03150.txt index 48e6ab861d8..a5083385929 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03150.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03150.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03150 -RECORD_TITLE: Timiperone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Timiperone; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YDLQKLWVKKFPII-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3033151 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03151.txt b/MSSJ/MSBNK-MSSJ-MSJ03151.txt index a1aaf262688..7670b98bb67 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03151.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03151.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03151 -RECORD_TITLE: Timiperone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Timiperone; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YDLQKLWVKKFPII-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3033151 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03152.txt b/MSSJ/MSBNK-MSSJ-MSJ03152.txt index 4877926836a..cf7ec1b510e 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03152.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03152.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03152 -RECORD_TITLE: Timiperone; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Timiperone; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YDLQKLWVKKFPII-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3033151 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03153.txt b/MSSJ/MSBNK-MSSJ-MSJ03153.txt index 541e17bbbff..c17770eac41 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03153.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03153.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03153 -RECORD_TITLE: Timiperone; LC-ESI-QQ; MS; ESI; NEGATIVE +RECORD_TITLE: Timiperone; LC-ESI-QQQ; MS; ESI; NEGATIVE DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YDLQKLWVKKFPII-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3033151 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ03154.txt b/MSSJ/MSBNK-MSSJ-MSJ03154.txt index 04c4023fe70..bdcd55a13c2 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03154.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03154.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03154 -RECORD_TITLE: Timiperone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- +RECORD_TITLE: Timiperone; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 10 V; [M-H]- DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YDLQKLWVKKFPII-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3033151 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03155.txt b/MSSJ/MSBNK-MSSJ-MSJ03155.txt index 5d5446c974e..9565331882e 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03155.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03155.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03155 -RECORD_TITLE: Timiperone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- +RECORD_TITLE: Timiperone; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 20 V; [M-H]- DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YDLQKLWVKKFPII-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3033151 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03156.txt b/MSSJ/MSBNK-MSSJ-MSJ03156.txt index c348fbf3f04..88b7a32c544 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03156.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03156.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03156 -RECORD_TITLE: Timiperone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- +RECORD_TITLE: Timiperone; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 30 V; [M-H]- DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YDLQKLWVKKFPII-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3033151 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03157.txt b/MSSJ/MSBNK-MSSJ-MSJ03157.txt index 35b84e6c601..85cb07d64ae 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03157.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03157.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03157 -RECORD_TITLE: Timiperone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- +RECORD_TITLE: Timiperone; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 40 V; [M-H]- DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YDLQKLWVKKFPII-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3033151 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03158.txt b/MSSJ/MSBNK-MSSJ-MSJ03158.txt index 12d2aada154..a9f746111bc 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03158.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03158.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03158 -RECORD_TITLE: Timiperone; LC-ESI-QQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- +RECORD_TITLE: Timiperone; LC-ESI-QQQ; MS2; ESI; NEGATIVE; CID; CE 50 V; [M-H]- DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY YDLQKLWVKKFPII-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:3033151 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03159.txt b/MSSJ/MSBNK-MSSJ-MSJ03159.txt index f04035536ae..08701a856c8 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03159.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03159.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03159 -RECORD_TITLE: Desipramine; LC-ESI-QQ; MS; ESI; POSITIVE +RECORD_TITLE: Desipramine; LC-ESI-QQQ; MS; ESI; POSITIVE DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HCYAFALTSJYZDH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2995 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/MSSJ/MSBNK-MSSJ-MSJ03160.txt b/MSSJ/MSBNK-MSSJ-MSJ03160.txt index 1d8bbe74440..ec6872bbde9 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03160.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03160.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03160 -RECORD_TITLE: Desipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ +RECORD_TITLE: Desipramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 10 V; [M+H]+ DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HCYAFALTSJYZDH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2995 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03161.txt b/MSSJ/MSBNK-MSSJ-MSJ03161.txt index 1c8496ebf23..8c70195ca70 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03161.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03161.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03161 -RECORD_TITLE: Desipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ +RECORD_TITLE: Desipramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 20 V; [M+H]+ DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HCYAFALTSJYZDH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2995 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03162.txt b/MSSJ/MSBNK-MSSJ-MSJ03162.txt index 5a0bbb47f62..107f63d8754 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03162.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03162.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03162 -RECORD_TITLE: Desipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ +RECORD_TITLE: Desipramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 30 V; [M+H]+ DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HCYAFALTSJYZDH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2995 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03163.txt b/MSSJ/MSBNK-MSSJ-MSJ03163.txt index 8cd2a602a78..a9e1416f355 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03163.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03163.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03163 -RECORD_TITLE: Desipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ +RECORD_TITLE: Desipramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 40 V; [M+H]+ DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HCYAFALTSJYZDH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2995 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/MSSJ/MSBNK-MSSJ-MSJ03164.txt b/MSSJ/MSBNK-MSSJ-MSJ03164.txt index d56740b47fc..036e273b226 100644 --- a/MSSJ/MSBNK-MSSJ-MSJ03164.txt +++ b/MSSJ/MSBNK-MSSJ-MSJ03164.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-MSSJ-MSJ03164 -RECORD_TITLE: Desipramine; LC-ESI-QQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ +RECORD_TITLE: Desipramine; LC-ESI-QQQ; MS2; ESI; POSITIVE; CID; CE 50 V; [M+H]+ DATE: 2023.04.07 AUTHORS: Koji Yamaguchi, Department of Legal Medicine, Nippon Medical School, 1715 Kamagari, Inzai-shi, Chiba 270-1694, Japan. LICENSE: CC BY @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HCYAFALTSJYZDH-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:2995 CH$LINK: ChemOnt CHEMONTID:0000320; Organic compounds; Organoheterocyclic compounds; Benzazepines; Dibenzazepines AC$INSTRUMENT: LCMS-8040 coupled to Nexera XR (Shimadzu, Kyoto, Japan). -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01000.txt b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01000.txt index 5e07e2eaec5..49b119389a6 100644 --- a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01000.txt +++ b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01000.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Osaka_Univ-OUF01000 -RECORD_TITLE: L-Alanine; GC-EI-QQ; MS; 2 TBDMS; RT:565.74 sec +RECORD_TITLE: L-Alanine; GC-EI-QQQ; MS; 2 TBDMS; RT:565.74 sec DATE: 2016.01.19 (Created 2013.05.09) AUTHORS: Dempo Y, Bamba T, Fukusaki E, engineering department, Osaka Univ. LICENSE: CC BY-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID20873899 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: Agilent 7000B QqQMS, Agilent; Agilent 7890A series GC system, Agilent Technologies -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min diff --git a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01001.txt b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01001.txt index e5fc614d138..2898f12254c 100644 --- a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01001.txt +++ b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Osaka_Univ-OUF01001 -RECORD_TITLE: Glycine; GC-EI-QQ; MS; 2 TBDMS; RT:578.64 sec +RECORD_TITLE: Glycine; GC-EI-QQQ; MS; 2 TBDMS; RT:578.64 sec DATE: 2016.01.19 (Created 2013.05.09) AUTHORS: Dempo Y, Bamba T, Fukusaki E, engineering department, Osaka Univ. LICENSE: CC BY-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY DHMQDGOQFOQNFH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020667 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: Agilent 7000B QqQMS, Agilent; Agilent 7891A series GC system, Agilent Technologies -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min diff --git a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01002.txt b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01002.txt index 92f7b43876a..e6e31594544 100644 --- a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01002.txt +++ b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Osaka_Univ-OUF01002 -RECORD_TITLE: L-Valine; GC-EI-QQ; MS; 2 TBDMS; RT:621.9 sec +RECORD_TITLE: L-Valine; GC-EI-QQQ; MS; 2 TBDMS; RT:621.9 sec DATE: 2016.01.19 (Created 2013.05.09) AUTHORS: Dempo Y, Bamba T, Fukusaki E, engineering department, Osaka Univ. LICENSE: CC BY-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY KZSNJWFQEVHDMF-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID40883233 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: Agilent 7000B QqQMS, Agilent; Agilent 7892A series GC system, Agilent Technologies -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min diff --git a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01003.txt b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01003.txt index 6855f6d4ec8..df9fd9ebb7a 100644 --- a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01003.txt +++ b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Osaka_Univ-OUF01003 -RECORD_TITLE: L-Leucine; GC-EI-QQ; MS; 2 TBDMS; RT:639.66 sec +RECORD_TITLE: L-Leucine; GC-EI-QQQ; MS; 2 TBDMS; RT:639.66 sec DATE: 2016.01.19 (Created 2013.05.09) AUTHORS: Dempo Y, Bamba T, Fukusaki E, engineering department, Osaka Univ. LICENSE: CC BY-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ROHFNLRQFUQHCH-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023203 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: Agilent 7000B QqQMS, Agilent; Agilent 7893A series GC system, Agilent Technologies -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min diff --git a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01004.txt b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01004.txt index faa8cd711de..bc7f8885237 100644 --- a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01004.txt +++ b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Osaka_Univ-OUF01004 -RECORD_TITLE: L-Isoleucine; GC-EI-QQ; MS; 2 TBDMS; RT:654.3 sec +RECORD_TITLE: L-Isoleucine; GC-EI-QQQ; MS; 2 TBDMS; RT:654.3 sec DATE: 2016.01.19 (Created 2013.05.09) AUTHORS: Dempo Y, Bamba T, Fukusaki E, engineering department, Osaka Univ. LICENSE: CC BY-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY AGPKZVBTJJNPAG-WHFBIAKZSA-N CH$LINK: COMPTOX DTXSID1047441 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: Agilent 7000B QqQMS, Agilent; Agilent 7894A series GC system, Agilent Technologies -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min diff --git a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01005.txt b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01005.txt index 2c30c39c896..862b4d7eec2 100644 --- a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01005.txt +++ b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Osaka_Univ-OUF01005 -RECORD_TITLE: L-Threonine; GC-EI-QQ; MS; 2 TBDMS; RT:664.86 sec +RECORD_TITLE: L-Threonine; GC-EI-QQQ; MS; 2 TBDMS; RT:664.86 sec DATE: 2016.01.19 (Created 2013.05.09) AUTHORS: Dempo Y, Bamba T, Fukusaki E, engineering department, Osaka Univ. LICENSE: CC BY-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY AYFVYJQAPQTCCC-GBXIJSLDSA-N CH$LINK: COMPTOX DTXSID2046412 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: Agilent 7000B QqQMS, Agilent; Agilent 7895A series GC system, Agilent Technologies -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min diff --git a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01006.txt b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01006.txt index da7e220fbc3..6a19d84aa85 100644 --- a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01006.txt +++ b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01006.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Osaka_Univ-OUF01006 -RECORD_TITLE: L-Proline; GC-EI-QQ; MS; 2 TBDMS; RT:674.82 sec +RECORD_TITLE: L-Proline; GC-EI-QQQ; MS; 2 TBDMS; RT:674.82 sec DATE: 2016.01.19 (Created 2013.05.09) AUTHORS: Dempo Y, Bamba T, Fukusaki E, engineering department, Osaka Univ. LICENSE: CC BY-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ONIBWKKTOPOVIA-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5044021 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: Agilent 7000B QqQMS, Agilent; Agilent 7896A series GC system, Agilent Technologies -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min diff --git a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01007.txt b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01007.txt index b1bec1b8961..21248ed3bfd 100644 --- a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01007.txt +++ b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Osaka_Univ-OUF01007 -RECORD_TITLE: L-Methionine; GC-EI-QQ; MS; 2 TBDMS; RT:755.64 sec +RECORD_TITLE: L-Methionine; GC-EI-QQQ; MS; 2 TBDMS; RT:755.64 sec DATE: 2016.01.19 (Created 2013.05.09) AUTHORS: Dempo Y, Bamba T, Fukusaki E, engineering department, Osaka Univ. LICENSE: CC BY-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY FFEARJCKVFRZRR-BYPYZUCNSA-N CH$LINK: COMPTOX DTXSID5040548 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: Agilent 7000B QqQMS, Agilent; Agilent 7897A series GC system, Agilent Technologies -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min diff --git a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01008.txt b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01008.txt index 1e86a142d79..fd25a20dec7 100644 --- a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01008.txt +++ b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Osaka_Univ-OUF01008 -RECORD_TITLE: L-Serine; GC-EI-QQ; MS; 3 TBDMS; RT:760.32 sec +RECORD_TITLE: L-Serine; GC-EI-QQQ; MS; 3 TBDMS; RT:760.32 sec DATE: 2016.01.19 (Created 2013.05.09) AUTHORS: Dempo Y, Bamba T, Fukusaki E, engineering department, Osaka Univ. LICENSE: CC BY-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY MTCFGRXMJLQNBG-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID60883230 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: Agilent 7000B QqQMS, Agilent; Agilent 7898A series GC system, Agilent Technologies -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min diff --git a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01009.txt b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01009.txt index 9bedc49f196..a165f5cac8f 100644 --- a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01009.txt +++ b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Osaka_Univ-OUF01009 -RECORD_TITLE: L-Phenylalanine; GC-EI-QQ; MS; 2 TBDMS; RT:803.76 sec +RECORD_TITLE: L-Phenylalanine; GC-EI-QQQ; MS; 2 TBDMS; RT:803.76 sec DATE: 2016.01.19 (Created 2013.05.09) AUTHORS: Dempo Y, Bamba T, Fukusaki E, engineering department, Osaka Univ. LICENSE: CC BY-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY COLNVLDHVKWLRT-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID4040763 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: Agilent 7000B QqQMS, Agilent; Agilent 7899A series GC system, Agilent Technologies -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min diff --git a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01010.txt b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01010.txt index 18fda80adb6..400e0c1d519 100644 --- a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01010.txt +++ b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01010.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Osaka_Univ-OUF01010 -RECORD_TITLE: L-Aspartic acid; GC-EI-QQ; MS; 3 TBDMS; RT:822.9 sec +RECORD_TITLE: L-Aspartic acid; GC-EI-QQQ; MS; 3 TBDMS; RT:822.9 sec DATE: 2016.01.19 (Created 2013.05.09) AUTHORS: Dempo Y, Bamba T, Fukusaki E, engineering department, Osaka Univ. LICENSE: CC BY-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY CKLJMWTZIZZHCS-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID7022621 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: Agilent 7000B QqQMS, Agilent; Agilent 7900A series GC system, Agilent Technologies -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min diff --git a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01011.txt b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01011.txt index a6c3561ab45..692a9eaf8bc 100644 --- a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01011.txt +++ b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01011.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Osaka_Univ-OUF01011 -RECORD_TITLE: L-Cysteine; GC-EI-QQ; MS; 3 TBDMS; RT:842.58 sec +RECORD_TITLE: L-Cysteine; GC-EI-QQQ; MS; 3 TBDMS; RT:842.58 sec DATE: 2016.01.19 (Created 2013.05.09) AUTHORS: Dempo Y, Bamba T, Fukusaki E, engineering department, Osaka Univ. LICENSE: CC BY-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY XUJNEKJLAYXESH-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID8022876 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: Agilent 7000B QqQMS, Agilent; Agilent 7901A series GC system, Agilent Technologies -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min diff --git a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01012.txt b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01012.txt index 9ebd7d4d834..e6ba61088bc 100644 --- a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01012.txt +++ b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01012.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Osaka_Univ-OUF01012 -RECORD_TITLE: L-Glutamic acid; GC-EI-QQ; MS; 3 TBDMS; RT:864.9 sec +RECORD_TITLE: L-Glutamic acid; GC-EI-QQQ; MS; 3 TBDMS; RT:864.9 sec DATE: 2016.01.19 (Created 2013.05.09) AUTHORS: Dempo Y, Bamba T, Fukusaki E, engineering department, Osaka Univ. LICENSE: CC BY-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY WHUUTDBJXJRKMK-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID5020659 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: Agilent 7000B QqQMS, Agilent; Agilent 7902A series GC system, Agilent Technologies -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min diff --git a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01013.txt b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01013.txt index ac3edcf82df..e894b6b2307 100644 --- a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01013.txt +++ b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01013.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Osaka_Univ-OUF01013 -RECORD_TITLE: L-Asparagine; GC-EI-QQ; MS; 3 TBDMS; RT:876.24 sec +RECORD_TITLE: L-Asparagine; GC-EI-QQQ; MS; 3 TBDMS; RT:876.24 sec DATE: 2016.01.19 (Created 2013.05.09) AUTHORS: Dempo Y, Bamba T, Fukusaki E, engineering department, Osaka Univ. LICENSE: CC BY-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY DCXYFEDJOCDNAF-REOHCLBHSA-N CH$LINK: COMPTOX DTXSID10883220 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: Agilent 7000B QqQMS, Agilent; Agilent 7903A series GC system, Agilent Technologies -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min diff --git a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01014.txt b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01014.txt index 875aa842ee6..05ef2e0d992 100644 --- a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01014.txt +++ b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01014.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Osaka_Univ-OUF01014 -RECORD_TITLE: L-Lysine; GC-EI-QQ; MS; 3 TBDMS; RT:491.38843 +RECORD_TITLE: L-Lysine; GC-EI-QQQ; MS; 3 TBDMS; RT:491.38843 DATE: 2016.01.19 (Created 2013.05.09) AUTHORS: Dempo Y, Bamba T, Fukusaki E, engineering department, Osaka Univ. LICENSE: CC BY-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY KDXKERNSBIXSRK-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID6023232 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: Agilent 7000B QqQMS, Agilent; Agilent 7904A series GC system, Agilent Technologies -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min diff --git a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01015.txt b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01015.txt index fa9d1ffc2cb..18eb2de4a49 100644 --- a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01015.txt +++ b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01015.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Osaka_Univ-OUF01015 -RECORD_TITLE: L-Glutamine; GC-EI-QQ; MS; 3 TBDMS; RT:916.38 sec +RECORD_TITLE: L-Glutamine; GC-EI-QQQ; MS; 3 TBDMS; RT:916.38 sec DATE: 2016.01.19 (Created 2013.05.09) AUTHORS: Dempo Y, Bamba T, Fukusaki E, engineering department, Osaka Univ. LICENSE: CC BY-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-VKHMYHEASA-N CH$LINK: COMPTOX DTXSID1023100 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: Agilent 7000B QqQMS, Agilent; Agilent 7905A series GC system, Agilent Technologies -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min diff --git a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01016.txt b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01016.txt index 8f7255aa65b..1168fbf26c8 100644 --- a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01016.txt +++ b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01016.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Osaka_Univ-OUF01016 -RECORD_TITLE: L-Histidine; GC-EI-QQ; MS; 3 TBDMS; RT:969.54 sec +RECORD_TITLE: L-Histidine; GC-EI-QQQ; MS; 3 TBDMS; RT:969.54 sec DATE: 2016.01.19 (Created 2013.05.09) AUTHORS: Dempo Y, Bamba T, Fukusaki E, engineering department, Osaka Univ. LICENSE: CC BY-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY HNDVDQJCIGZPNO-YFKPBYRVSA-N CH$LINK: COMPTOX DTXSID9023126 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: Agilent 7000B QqQMS, Agilent; Agilent 7906A series GC system, Agilent Technologies -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min diff --git a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01017.txt b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01017.txt index 75c180ae879..67c4e87d0ab 100644 --- a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01017.txt +++ b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01017.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Osaka_Univ-OUF01017 -RECORD_TITLE: L-Tyrosine; GC-EI-QQ; MS; 3 TBDMS; RT:984.36 sec +RECORD_TITLE: L-Tyrosine; GC-EI-QQQ; MS; 3 TBDMS; RT:984.36 sec DATE: 2016.01.19 (Created 2013.05.09) AUTHORS: Dempo Y, Bamba T, Fukusaki E, engineering department, Osaka Univ. LICENSE: CC BY-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY OUYCCCASQSFEME-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID1023730 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: Agilent 7000B QqQMS, Agilent; Agilent 7907A series GC system, Agilent Technologies -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min diff --git a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01018.txt b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01018.txt index 674c09c59ce..cdb14648bc6 100644 --- a/Osaka_Univ/MSBNK-Osaka_Univ-OUF01018.txt +++ b/Osaka_Univ/MSBNK-Osaka_Univ-OUF01018.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Osaka_Univ-OUF01018 -RECORD_TITLE: L-Tryptophan; GC-EI-QQ; MS; 2 TBDMS; RT:1004.1 sec +RECORD_TITLE: L-Tryptophan; GC-EI-QQQ; MS; 2 TBDMS; RT:1004.1 sec DATE: 2016.01.19 (Created 2013.05.09) AUTHORS: Dempo Y, Bamba T, Fukusaki E, engineering department, Osaka Univ. LICENSE: CC BY-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY QIVBCDIJIAJPQS-VIFPVBQESA-N CH$LINK: COMPTOX DTXSID5021419 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: Agilent 7000B QqQMS, Agilent; Agilent 7908A series GC system, Agilent Technologies -AC$INSTRUMENT_TYPE: GC-EI-QQ +AC$INSTRUMENT_TYPE: GC-EI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: HELIUM_FLOW 1 ml/min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00001.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00001.txt index 5a99fcca757..da94c24ffc9 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00001.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00001 -RECORD_TITLE: Cholesterol; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ +RECORD_TITLE: Cholesterol; LC-APPI-QQQ; MS2; CE:60 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.18, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9061 CH$LINK: INCHIKEY HVYWMOMLDIMFJA-LBHVWCRMSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00002.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00002.txt index 8b517772274..d5ddce4e0ee 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00002.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00002 -RECORD_TITLE: Cholesterol; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ +RECORD_TITLE: Cholesterol; LC-APPI-QQQ; MS2; CE:50 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.18, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9061 CH$LINK: INCHIKEY HVYWMOMLDIMFJA-LBHVWCRMSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00003.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00003.txt index 58e02be110d..e6c13484ce2 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00003.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00003 -RECORD_TITLE: Cholesterol; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ +RECORD_TITLE: Cholesterol; LC-APPI-QQQ; MS2; CE:40 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.18, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9061 CH$LINK: INCHIKEY HVYWMOMLDIMFJA-LBHVWCRMSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00004.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00004.txt index bb8132e9783..30873aba27b 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00004.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00004 -RECORD_TITLE: Cholesterol; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ +RECORD_TITLE: Cholesterol; LC-APPI-QQQ; MS2; CE:30 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.18, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9061 CH$LINK: INCHIKEY HVYWMOMLDIMFJA-LBHVWCRMSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00005.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00005.txt index 616b0c6b7b2..3c37c0deef2 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00005.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00005 -RECORD_TITLE: Cholesterol; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ +RECORD_TITLE: Cholesterol; LC-APPI-QQQ; MS2; CE:20 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.18, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9061 CH$LINK: INCHIKEY HVYWMOMLDIMFJA-LBHVWCRMSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00006.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00006.txt index bbc6ffba254..c6aaf249c8a 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00006.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00006.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00006 -RECORD_TITLE: Cholesterol; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ +RECORD_TITLE: Cholesterol; LC-APPI-QQQ; MS2; CE:10 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.18, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9061 CH$LINK: INCHIKEY HVYWMOMLDIMFJA-LBHVWCRMSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00007.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00007.txt index 12392f4d18b..3e3194fb539 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00007.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00007 -RECORD_TITLE: Cholesterol; LC-APPI-QQ; MS +RECORD_TITLE: Cholesterol; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.01.18, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9061 CH$LINK: INCHIKEY HVYWMOMLDIMFJA-LBHVWCRMSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00008.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00008.txt index 4cdb6a7a0ab..61495f2e1d3 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00008.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00008 -RECORD_TITLE: Coprostanol; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ +RECORD_TITLE: Coprostanol; LC-APPI-QQQ; MS2; CE:60 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.18, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9060 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-WXXXDBQUSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00009.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00009.txt index cb2821ba8a7..221eea783c0 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00009.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00009 -RECORD_TITLE: Coprostanol; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ +RECORD_TITLE: Coprostanol; LC-APPI-QQQ; MS2; CE:50 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.18, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9060 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-WXXXDBQUSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820883 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00011.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00011.txt index bad169c54ed..f997eda4ea2 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00011.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00011.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00011 -RECORD_TITLE: Coprostanol; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ +RECORD_TITLE: Coprostanol; LC-APPI-QQQ; MS2; CE:40 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.18, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9060 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-WXXXDBQUSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00012.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00012.txt index 1a8fb3b62b5..cca835c2ca2 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00012.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00012.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00012 -RECORD_TITLE: Coprostanol; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ +RECORD_TITLE: Coprostanol; LC-APPI-QQQ; MS2; CE:30 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.18, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9060 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-WXXXDBQUSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00013.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00013.txt index 548949c10ef..4bea81ced42 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00013.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00013.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00013 -RECORD_TITLE: Coprostanol; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ +RECORD_TITLE: Coprostanol; LC-APPI-QQQ; MS2; CE:20 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.18, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9060 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-WXXXDBQUSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00014.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00014.txt index 5fd0bc76a33..9f233eb1832 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00014.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00014.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00014 -RECORD_TITLE: Coprostanol; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ +RECORD_TITLE: Coprostanol; LC-APPI-QQQ; MS2; CE:10 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.18, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9060 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-WXXXDBQUSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00015.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00015.txt index 8c8b5ec7ccd..0e40829bbc3 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00015.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00015.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00015 -RECORD_TITLE: Coprostanol; LC-APPI-QQ; MS +RECORD_TITLE: Coprostanol; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.01.18, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9060 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-WXXXDBQUSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821133 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00016.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00016.txt index 144d5df4a23..034626d1227 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00016.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00016.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00016 -RECORD_TITLE: Epicoprostanol; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ +RECORD_TITLE: Epicoprostanol; LC-APPI-QQQ; MS2; CE:60 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0006 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00017.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00017.txt index 2d5208e06a8..a26c5ddae3d 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00017.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00017.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00017 -RECORD_TITLE: Epicoprostanol; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ +RECORD_TITLE: Epicoprostanol; LC-APPI-QQQ; MS2; CE:50 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0006 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00018.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00018.txt index 9dbbf4bd3fb..dbf37d46d56 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00018.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00018.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00018 -RECORD_TITLE: Epicoprostanol; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ +RECORD_TITLE: Epicoprostanol; LC-APPI-QQQ; MS2; CE:40 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0006 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00019.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00019.txt index a03dfa42bba..a0900c0bc7f 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00019.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00019.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00019 -RECORD_TITLE: Epicoprostanol; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ +RECORD_TITLE: Epicoprostanol; LC-APPI-QQQ; MS2; CE:30 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0006 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00020.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00020.txt index cbf7caf1d52..db204fbb446 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00020.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00020.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00020 -RECORD_TITLE: Epicoprostanol; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ +RECORD_TITLE: Epicoprostanol; LC-APPI-QQQ; MS2; CE:20 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0006 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00021.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00021.txt index d8729980426..b5864513c97 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00021.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00021.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00021 -RECORD_TITLE: Epicoprostanol; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ +RECORD_TITLE: Epicoprostanol; LC-APPI-QQQ; MS2; CE:10 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0006 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00022.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00022.txt index d050c47317d..88f2754d13d 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00022.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00022.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00022 -RECORD_TITLE: Epicoprostanol; LC-APPI-QQ; MS +RECORD_TITLE: Epicoprostanol; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0006 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821167 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00023.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00023.txt index 45ca5b4fc62..5c1a05baab3 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00023.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00023.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00023 -RECORD_TITLE: Coprostanone; LC-APPI-QQ; MS2; CE:60 V; [M+H]+ +RECORD_TITLE: Coprostanone; LC-APPI-QQQ; MS2; CE:60 V; [M+H]+ DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 601-53-6 CH$LINK: INCHIKEY PESKGJQREUXSRR-JAGYRSRJSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00024.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00024.txt index 5bb8453e5cc..f3b09e39410 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00024.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00024.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00024 -RECORD_TITLE: Coprostanone; LC-APPI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Coprostanone; LC-APPI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 601-53-6 CH$LINK: INCHIKEY PESKGJQREUXSRR-JAGYRSRJSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00025.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00025.txt index fd9ea21a5d8..0d3a07d4f66 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00025.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00025.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00025 -RECORD_TITLE: Coprostanone; LC-APPI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Coprostanone; LC-APPI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 601-53-6 CH$LINK: INCHIKEY PESKGJQREUXSRR-JAGYRSRJSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820883 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00026.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00026.txt index ee46a362a8d..9f8914748d2 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00026.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00026.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00026 -RECORD_TITLE: Coprostanone; LC-APPI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Coprostanone; LC-APPI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 601-53-6 CH$LINK: INCHIKEY PESKGJQREUXSRR-JAGYRSRJSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00027.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00027.txt index bbac92c12b8..d1657bb9b7a 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00027.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00027.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00027 -RECORD_TITLE: Coprostanone; LC-APPI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Coprostanone; LC-APPI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 601-53-6 CH$LINK: INCHIKEY PESKGJQREUXSRR-JAGYRSRJSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820917 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00028.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00028.txt index 5be26865f53..7960b8e7763 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00028.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00028.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00028 -RECORD_TITLE: Coprostanone; LC-APPI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Coprostanone; LC-APPI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 601-53-6 CH$LINK: INCHIKEY PESKGJQREUXSRR-JAGYRSRJSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820917 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00029.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00029.txt index ab61a3b08d7..05eb600c50f 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00029.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00029.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00029 -RECORD_TITLE: Coprostanone; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ +RECORD_TITLE: Coprostanone; LC-APPI-QQQ; MS2; CE:60 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 601-53-6 CH$LINK: INCHIKEY PESKGJQREUXSRR-JAGYRSRJSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00030.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00030.txt index 2627d9134e3..7bcbcdab38f 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00030.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00030.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00030 -RECORD_TITLE: Coprostanone; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ +RECORD_TITLE: Coprostanone; LC-APPI-QQQ; MS2; CE:50 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 601-53-6 CH$LINK: INCHIKEY PESKGJQREUXSRR-JAGYRSRJSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00031.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00031.txt index 6e55ac1fc1d..869380a61da 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00031.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00031.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00031 -RECORD_TITLE: Coprostanone; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ +RECORD_TITLE: Coprostanone; LC-APPI-QQQ; MS2; CE:40 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 601-53-6 CH$LINK: INCHIKEY PESKGJQREUXSRR-JAGYRSRJSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00032.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00032.txt index e25dc3f2d63..d22bfdfc588 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00032.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00032.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00032 -RECORD_TITLE: Coprostanone; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ +RECORD_TITLE: Coprostanone; LC-APPI-QQQ; MS2; CE:30 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 601-53-6 CH$LINK: INCHIKEY PESKGJQREUXSRR-JAGYRSRJSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00033.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00033.txt index b9957d994d6..64cb52eb3ae 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00033.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00033.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00033 -RECORD_TITLE: Coprostanone; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ +RECORD_TITLE: Coprostanone; LC-APPI-QQQ; MS2; CE:20 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 601-53-6 CH$LINK: INCHIKEY PESKGJQREUXSRR-JAGYRSRJSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00034.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00034.txt index cd87523ce5a..b5624455475 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00034.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00034.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00034 -RECORD_TITLE: Coprostanone; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ +RECORD_TITLE: Coprostanone; LC-APPI-QQQ; MS2; CE:10 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 601-53-6 CH$LINK: INCHIKEY PESKGJQREUXSRR-JAGYRSRJSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00035.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00035.txt index 2ab1de92916..75919ecd815 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00035.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00035.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00035 -RECORD_TITLE: Coprostanone; LC-APPI-QQ; MS +RECORD_TITLE: Coprostanone; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 601-53-6 CH$LINK: INCHIKEY PESKGJQREUXSRR-JAGYRSRJSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821067 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00036.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00036.txt index b7b29bc020c..cdba799728d 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00036.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00036.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00036 -RECORD_TITLE: Cholestanol; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ +RECORD_TITLE: Cholestanol; LC-APPI-QQQ; MS2; CE:60 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0005 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-JKUMBUQESA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00037.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00037.txt index 7f94b8569e3..3a0deee6949 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00037.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00037.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00037 -RECORD_TITLE: Cholestanol; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ +RECORD_TITLE: Cholestanol; LC-APPI-QQQ; MS2; CE:50 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0005 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-JKUMBUQESA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820900 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00038.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00038.txt index e524482259c..151e154b038 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00038.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00038.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00038 -RECORD_TITLE: Cholestanol; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ +RECORD_TITLE: Cholestanol; LC-APPI-QQQ; MS2; CE:40 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0005 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-JKUMBUQESA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820917 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00039.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00039.txt index 21fddf7dd46..7e6a8ac18ab 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00039.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00039.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00039 -RECORD_TITLE: Cholestanol; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ +RECORD_TITLE: Cholestanol; LC-APPI-QQQ; MS2; CE:30 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0005 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-JKUMBUQESA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00040.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00040.txt index aecb540e564..0fcfc694a66 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00040.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00040.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00040 -RECORD_TITLE: Cholestanol; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ +RECORD_TITLE: Cholestanol; LC-APPI-QQQ; MS2; CE:20 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0005 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-JKUMBUQESA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00041.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00041.txt index 4c20c491c20..04629986d99 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00041.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00041.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00041 -RECORD_TITLE: Cholestanol; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ +RECORD_TITLE: Cholestanol; LC-APPI-QQQ; MS2; CE:10 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0005 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-JKUMBUQESA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00042.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00042.txt index 19890907c73..d4968e62588 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00042.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00042.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00042 -RECORD_TITLE: Cholestanol; LC-APPI-QQ; MS +RECORD_TITLE: Cholestanol; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.01.24, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0005 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-JKUMBUQESA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821067 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00043.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00043.txt index c32178a366c..32ef4a541c3 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00043.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00043.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00043 -RECORD_TITLE: 24-Ethylepicoprostanol; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ +RECORD_TITLE: 24-Ethylepicoprostanol; LC-APPI-QQQ; MS2; CE:60 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 5060-24-2 CH$LINK: INCHIKEY LGJMUZUPVCAVPU-RFCGSYLUSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00044.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00044.txt index 79d6603fae5..639d4d8dfb2 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00044.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00044.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00044 -RECORD_TITLE: 24-Ethylepicoprostanol; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ +RECORD_TITLE: 24-Ethylepicoprostanol; LC-APPI-QQQ; MS2; CE:50 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 5060-24-2 CH$LINK: INCHIKEY LGJMUZUPVCAVPU-RFCGSYLUSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820900 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00045.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00045.txt index f53e9b31de3..c3aba3943d6 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00045.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00045.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00045 -RECORD_TITLE: 24-Ethylepicoprostanol; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ +RECORD_TITLE: 24-Ethylepicoprostanol; LC-APPI-QQQ; MS2; CE:40 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 5060-24-2 CH$LINK: INCHIKEY LGJMUZUPVCAVPU-RFCGSYLUSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00046.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00046.txt index 1ca1ac4553f..c0be894bbfb 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00046.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00046.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00046 -RECORD_TITLE: 24-Ethylepicoprostanol; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ +RECORD_TITLE: 24-Ethylepicoprostanol; LC-APPI-QQQ; MS2; CE:30 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 5060-24-2 CH$LINK: INCHIKEY LGJMUZUPVCAVPU-RFCGSYLUSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00047.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00047.txt index a10fa5f87e6..9ea148de0cc 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00047.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00047.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00047 -RECORD_TITLE: 24-Ethylepicoprostanol; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ +RECORD_TITLE: 24-Ethylepicoprostanol; LC-APPI-QQQ; MS2; CE:20 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 5060-24-2 CH$LINK: INCHIKEY LGJMUZUPVCAVPU-RFCGSYLUSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00048.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00048.txt index 55902bccd57..adae61ef626 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00048.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00048.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00048 -RECORD_TITLE: 24-Ethylepicoprostanol; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ +RECORD_TITLE: 24-Ethylepicoprostanol; LC-APPI-QQQ; MS2; CE:10 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 5060-24-2 CH$LINK: INCHIKEY LGJMUZUPVCAVPU-RFCGSYLUSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00049.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00049.txt index d7c5270d2ef..f3b8a686b03 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00049.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00049.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00049 -RECORD_TITLE: 24-Ethylepicoprostanol; LC-APPI-QQ; MS +RECORD_TITLE: 24-Ethylepicoprostanol; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 5060-24-2 CH$LINK: INCHIKEY LGJMUZUPVCAVPU-RFCGSYLUSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821067 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00050.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00050.txt index c7c5326d1a5..17d28945e26 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00050.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00050.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00050 -RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQ; MS2; CE:60V; [M+H]+ +RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQQ; MS2; CE:60V; [M+H]+ DATE: 2016.01.19 (Created 2011.03.01) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY LUJVUUWNAPIQQI-QAGGRKNESA-N CH$LINK: COMPTOX DTXSID00862463 CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00051.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00051.txt index 8ad28ced7d0..dab34d9b333 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00051.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00051.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00051 -RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2011.03.01) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY LUJVUUWNAPIQQI-QAGGRKNESA-N CH$LINK: COMPTOX DTXSID00862463 CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00052.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00052.txt index 307f86db132..48113b76c79 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00052.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00052.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00052 -RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2011.03.01) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY LUJVUUWNAPIQQI-QAGGRKNESA-N CH$LINK: COMPTOX DTXSID00862463 CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00053.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00053.txt index 1b07b5aab2c..e7f915a2544 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00053.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00053.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00053 -RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQ; MS2; CE:30 V +RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQQ; MS2; CE:30 V DATE: 2016.01.19 (Created 2011.03.01) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY LUJVUUWNAPIQQI-QAGGRKNESA-N CH$LINK: COMPTOX DTXSID00862463 CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820883 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00054.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00054.txt index 59efc58962d..5d472e1323d 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00054.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00054.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00054 -RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2011.03.01) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY LUJVUUWNAPIQQI-QAGGRKNESA-N CH$LINK: COMPTOX DTXSID00862463 CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00055.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00055.txt index c6d3ff046df..0bf2e71d8e3 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00055.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00055.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00055 -RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2011.03.01) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY LUJVUUWNAPIQQI-QAGGRKNESA-N CH$LINK: COMPTOX DTXSID00862463 CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00056.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00056.txt index ae33d0b72f5..36d0549d32a 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00056.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00056.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00056 -RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ +RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQQ; MS2; CE:60 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY LUJVUUWNAPIQQI-QAGGRKNESA-N CH$LINK: COMPTOX DTXSID00862463 CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00057.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00057.txt index 54fb2bad716..9fdb46a2b2f 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00057.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00057.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00057 -RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ +RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQQ; MS2; CE:50 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY LUJVUUWNAPIQQI-QAGGRKNESA-N CH$LINK: COMPTOX DTXSID00862463 CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00058.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00058.txt index cd41c646b5b..701606a3759 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00058.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00058.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00058 -RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ +RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQQ; MS2; CE:40 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY LUJVUUWNAPIQQI-QAGGRKNESA-N CH$LINK: COMPTOX DTXSID00862463 CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00059.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00059.txt index 16be4763764..1368046536c 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00059.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00059.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00059 -RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ +RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQQ; MS2; CE:30 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY LUJVUUWNAPIQQI-QAGGRKNESA-N CH$LINK: COMPTOX DTXSID00862463 CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00060.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00060.txt index 1d6374e73aa..2203712ee5f 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00060.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00060.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00060 -RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ +RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQQ; MS2; CE:20 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY LUJVUUWNAPIQQI-QAGGRKNESA-N CH$LINK: COMPTOX DTXSID00862463 CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00061.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00061.txt index a648c407c0e..68cf17b62c2 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00061.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00061.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00061 -RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ +RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQQ; MS2; CE:10 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY LUJVUUWNAPIQQI-QAGGRKNESA-N CH$LINK: COMPTOX DTXSID00862463 CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00062.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00062.txt index 878fee8ba89..8320c0523ed 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00062.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00062.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00062 -RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQ; MS +RECORD_TITLE: 1,4-Androstadiene-3,17-dione; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY LUJVUUWNAPIQQI-QAGGRKNESA-N CH$LINK: COMPTOX DTXSID00862463 CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821067 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00063.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00063.txt index 28282f0ae9d..d43f653d212 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00063.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00063.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00063 -RECORD_TITLE: beta-Sitosterol; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ +RECORD_TITLE: beta-Sitosterol; LC-APPI-QQQ; MS2; CE:60 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9067 CH$LINK: INCHIKEY KZJWDPNRJALLNS-GDQWMHGZSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00064.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00064.txt index b8e593e8505..ebc6be92c13 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00064.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00064.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00064 -RECORD_TITLE: beta-Sitosterol; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ +RECORD_TITLE: beta-Sitosterol; LC-APPI-QQQ; MS2; CE:50 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9067 CH$LINK: INCHIKEY KZJWDPNRJALLNS-GDQWMHGZSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00065.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00065.txt index c3c9be504e9..a27cf78e182 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00065.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00065.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00065 -RECORD_TITLE: beta-Sitosterol; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ +RECORD_TITLE: beta-Sitosterol; LC-APPI-QQQ; MS2; CE:40 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9067 CH$LINK: INCHIKEY KZJWDPNRJALLNS-GDQWMHGZSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00066.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00066.txt index 6ec10a855b4..79f05506d07 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00066.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00066.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00066 -RECORD_TITLE: beta-Sitosterol; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ +RECORD_TITLE: beta-Sitosterol; LC-APPI-QQQ; MS2; CE:30 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9067 CH$LINK: INCHIKEY KZJWDPNRJALLNS-GDQWMHGZSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00067.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00067.txt index 755e095439b..916c4f86c9b 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00067.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00067.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00067 -RECORD_TITLE: beta-Sitosterol; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ +RECORD_TITLE: beta-Sitosterol; LC-APPI-QQQ; MS2; CE:20 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9067 CH$LINK: INCHIKEY KZJWDPNRJALLNS-GDQWMHGZSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00068.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00068.txt index 95ac3914a4c..2fe07b9ef59 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00068.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00068.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00068 -RECORD_TITLE: beta-Sitosterol; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ +RECORD_TITLE: beta-Sitosterol; LC-APPI-QQQ; MS2; CE:10 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9067 CH$LINK: INCHIKEY KZJWDPNRJALLNS-GDQWMHGZSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00069.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00069.txt index 00ee636040d..a598dbce367 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00069.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00069.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00069 -RECORD_TITLE: beta-Sitosterol; LC-APPI-QQ; MS +RECORD_TITLE: beta-Sitosterol; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9067 CH$LINK: INCHIKEY KZJWDPNRJALLNS-GDQWMHGZSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821050 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00070.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00070.txt index f75f6e19dac..f0714f124a3 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00070.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00070.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00070 -RECORD_TITLE: Daidzein; LC-APPI-QQ; MS2; CE:60 V; [M+H]+ +RECORD_TITLE: Daidzein; LC-APPI-QQQ; MS2; CE:60 V; [M+H]+ DATE: 2016.01.19 (Created 2011.03.01) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY ZQSIJRDFPHDXIC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022310 CH$LINK: ChemOnt CHEMONTID:0002901; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00071.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00071.txt index 7e5b8a1ce34..25412a1ba60 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00071.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00071.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00071 -RECORD_TITLE: Daidzein; LC-APPI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Daidzein; LC-APPI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2011.03.01) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY ZQSIJRDFPHDXIC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022310 CH$LINK: ChemOnt CHEMONTID:0002901; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00072.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00072.txt index 84f4df595de..a5dfa61a5b0 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00072.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00072.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00072 -RECORD_TITLE: Daidzein; LC-APPI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Daidzein; LC-APPI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2011.03.01) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY ZQSIJRDFPHDXIC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022310 CH$LINK: ChemOnt CHEMONTID:0002901; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00073.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00073.txt index 6ee9e087d51..233dc802882 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00073.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00073.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00073 -RECORD_TITLE: Daidzein; LC-APPI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Daidzein; LC-APPI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2011.03.01) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY ZQSIJRDFPHDXIC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022310 CH$LINK: ChemOnt CHEMONTID:0002901; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820917 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00074.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00074.txt index b96a44d067a..70ef635482e 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00074.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00074.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00074 -RECORD_TITLE: Daidzein; LC-APPI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Daidzein; LC-APPI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2011.03.01) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY ZQSIJRDFPHDXIC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022310 CH$LINK: ChemOnt CHEMONTID:0002901; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00075.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00075.txt index 26e8857bd74..f7298d9d02c 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00075.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00075.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00075 -RECORD_TITLE: Daidzein; LC-APPI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Daidzein; LC-APPI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2011.03.01) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY ZQSIJRDFPHDXIC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022310 CH$LINK: ChemOnt CHEMONTID:0002901; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00076.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00076.txt index 814f700a464..e66e6a61730 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00076.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00076.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00076 -RECORD_TITLE: Daidzein; LC-APPI-QQ; MS +RECORD_TITLE: Daidzein; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.03.01) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY ZQSIJRDFPHDXIC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9022310 CH$LINK: ChemOnt CHEMONTID:0002901; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821067 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00077.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00077.txt index 01b87eaff69..e660ecc6170 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00077.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00077.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00077 -RECORD_TITLE: Stigmastanol; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ +RECORD_TITLE: Stigmastanol; LC-APPI-QQQ; MS2; CE:60 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9087 CH$LINK: INCHIKEY LGJMUZUPVCAVPU-BYKIICAPSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00078.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00078.txt index bec8458de8b..5e9affe98a0 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00078.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00078.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00078 -RECORD_TITLE: Stigmastanol; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ +RECORD_TITLE: Stigmastanol; LC-APPI-QQQ; MS2; CE:50 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9087 CH$LINK: INCHIKEY LGJMUZUPVCAVPU-BYKIICAPSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00079.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00079.txt index 16ebda01937..381c9831789 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00079.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00079.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00079 -RECORD_TITLE: Stigmastanol; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ +RECORD_TITLE: Stigmastanol; LC-APPI-QQQ; MS2; CE:40 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9087 CH$LINK: INCHIKEY LGJMUZUPVCAVPU-BYKIICAPSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00080.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00080.txt index 041f4f0b362..3bfd13609e4 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00080.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00080.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00080 -RECORD_TITLE: Stigmastanol; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ +RECORD_TITLE: Stigmastanol; LC-APPI-QQQ; MS2; CE:30 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9087 CH$LINK: INCHIKEY LGJMUZUPVCAVPU-BYKIICAPSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00081.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00081.txt index ac5190a7e07..9336fb23634 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00081.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00081.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00081 -RECORD_TITLE: Stigmastanol; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ +RECORD_TITLE: Stigmastanol; LC-APPI-QQQ; MS2; CE:20 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9087 CH$LINK: INCHIKEY LGJMUZUPVCAVPU-BYKIICAPSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00082.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00082.txt index bb840c7692f..63ebc5d5901 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00082.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00082.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00082 -RECORD_TITLE: Stigmastanol; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ +RECORD_TITLE: Stigmastanol; LC-APPI-QQQ; MS2; CE:10 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9087 CH$LINK: INCHIKEY LGJMUZUPVCAVPU-BYKIICAPSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00083.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00083.txt index fc4f9738e11..179874d8c82 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00083.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00083.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00083 -RECORD_TITLE: Stigmastanol; LC-APPI-QQ; MS +RECORD_TITLE: Stigmastanol; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9087 CH$LINK: INCHIKEY LGJMUZUPVCAVPU-BYKIICAPSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821067 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00084.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00084.txt index c7f27c5a6bc..a7066619a5e 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00084.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00084.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00084 -RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ +RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQQ; MS2; CE:60 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0185 CH$LINK: INCHIKEY FMGSKLZLMKYGDP-IHFGAHDLSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00085.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00085.txt index 50c0489b7b2..e55ff286a63 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00085.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00085.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00085 -RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ +RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQQ; MS2; CE:50 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0185 CH$LINK: INCHIKEY FMGSKLZLMKYGDP-IHFGAHDLSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00086.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00086.txt index 800bc839ca7..76fa6ddb34a 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00086.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00086.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00086 -RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ +RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQQ; MS2; CE:40 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0185 CH$LINK: INCHIKEY FMGSKLZLMKYGDP-IHFGAHDLSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820900 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00087.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00087.txt index bff08b8af81..968cc2bc146 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00087.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00087.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00087 -RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ +RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQQ; MS2; CE:30 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0185 CH$LINK: INCHIKEY FMGSKLZLMKYGDP-IHFGAHDLSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00088.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00088.txt index 0986a2aa5f7..a7475f527b0 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00088.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00088.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00088 -RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ +RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQQ; MS2; CE:20 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0185 CH$LINK: INCHIKEY FMGSKLZLMKYGDP-IHFGAHDLSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00089.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00089.txt index 728316cccdf..db2f708f5e1 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00089.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00089.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00089 -RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ +RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQQ; MS2; CE:10 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0185 CH$LINK: INCHIKEY FMGSKLZLMKYGDP-IHFGAHDLSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00090.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00090.txt index d93062b3be4..39a149bb22a 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00090.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00090.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00090 -RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQ; MS2; CE:60 V; [M-2H2O+H]+ +RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQQ; MS2; CE:60 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0185 CH$LINK: INCHIKEY FMGSKLZLMKYGDP-IHFGAHDLSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00091.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00091.txt index ebc17979628..58e928f4861 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00091.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00091.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00091 -RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQ; MS2; CE:50 V; [M-2H2O+H]+ +RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQQ; MS2; CE:50 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0185 CH$LINK: INCHIKEY FMGSKLZLMKYGDP-IHFGAHDLSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00092.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00092.txt index 7c271d6f833..9dbceabc53e 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00092.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00092.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00092 -RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQ; MS2; CE:40 V; [M-2H2O+H]+ +RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQQ; MS2; CE:40 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0185 CH$LINK: INCHIKEY FMGSKLZLMKYGDP-IHFGAHDLSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00093.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00093.txt index 69db2e95404..a0a3aad66b2 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00093.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00093.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00093 -RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQ; MS2; CE:30 V; [M-2H2O+H]+ +RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQQ; MS2; CE:30 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0185 CH$LINK: INCHIKEY FMGSKLZLMKYGDP-IHFGAHDLSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00094.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00094.txt index 88ea1d082b5..b75082e59b1 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00094.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00094.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00094 -RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQ; MS2; CE:20 V; [M-2H2O+H]+ +RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQQ; MS2; CE:20 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0185 CH$LINK: INCHIKEY FMGSKLZLMKYGDP-IHFGAHDLSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820883 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00095.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00095.txt index b632b28f76d..8bcea5929d4 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00095.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00095.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00095 -RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQ; MS2; CE:10 V; [M-2H2O+H]+ +RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQQ; MS2; CE:10 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0185 CH$LINK: INCHIKEY FMGSKLZLMKYGDP-IHFGAHDLSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00096.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00096.txt index 2b8ee54bfbd..371dc84a64f 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00096.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00096.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00096 -RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQ; MS +RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0185 CH$LINK: INCHIKEY FMGSKLZLMKYGDP-IHFGAHDLSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821067 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00097.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00097.txt index 586b3aa74af..c69cee4ab27 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00097.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00097.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00097 -RECORD_TITLE: 24-Ethylcoprostanol; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ +RECORD_TITLE: 24-Ethylcoprostanol; LC-APPI-QQQ; MS2; CE:60 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 4736-91-8 CH$LINK: INCHIKEY LGJMUZUPVCAVPU-RMEUMSAISA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00098.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00098.txt index a8f6331fef1..8dc55f2e6e2 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00098.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00098.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00098 -RECORD_TITLE: 24-Ethylcoprostanol; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ +RECORD_TITLE: 24-Ethylcoprostanol; LC-APPI-QQQ; MS2; CE:50 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 4736-91-8 CH$LINK: INCHIKEY LGJMUZUPVCAVPU-RMEUMSAISA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00099.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00099.txt index f1a30b28ce7..34ec02d1ec1 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00099.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00099.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00099 -RECORD_TITLE: 24-Ethylcoprostanol; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ +RECORD_TITLE: 24-Ethylcoprostanol; LC-APPI-QQQ; MS2; CE:40 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 4736-91-8 CH$LINK: INCHIKEY LGJMUZUPVCAVPU-RMEUMSAISA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00100.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00100.txt index 1f5c0514a0e..26c41da0d4c 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00100.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00100.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00100 -RECORD_TITLE: 24-Ethylcoprostanol; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ +RECORD_TITLE: 24-Ethylcoprostanol; LC-APPI-QQQ; MS2; CE:30 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 4736-91-8 CH$LINK: INCHIKEY LGJMUZUPVCAVPU-RMEUMSAISA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00101.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00101.txt index 4a7d20bd21e..c045a8679ea 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00101.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00101 -RECORD_TITLE: 24-Ethylcoprostanol; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ +RECORD_TITLE: 24-Ethylcoprostanol; LC-APPI-QQQ; MS2; CE:20 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 4736-91-8 CH$LINK: INCHIKEY LGJMUZUPVCAVPU-RMEUMSAISA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00102.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00102.txt index 477b37daf8a..cf45f96797c 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00102.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00102 -RECORD_TITLE: 24-Ethylcoprostanol; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ +RECORD_TITLE: 24-Ethylcoprostanol; LC-APPI-QQQ; MS2; CE:10 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 4736-91-8 CH$LINK: INCHIKEY LGJMUZUPVCAVPU-RMEUMSAISA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00103.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00103.txt index 5a4580c70ed..c8c052e30c3 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00103.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00103 -RECORD_TITLE: 24-Ethylcoprostanol; LC-APPI-QQ; MS +RECORD_TITLE: 24-Ethylcoprostanol; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 4736-91-8 CH$LINK: INCHIKEY LGJMUZUPVCAVPU-RMEUMSAISA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821067 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00104.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00104.txt index 1eb998d3d17..de67bc5d61c 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00104.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00104 -RECORD_TITLE: Testosterone; LC-APPI-QQ; MS2; CE:60 V; [M+H]+ +RECORD_TITLE: Testosterone; LC-APPI-QQQ; MS2; CE:60 V; [M+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0020 CH$LINK: INCHIKEY MUMGGOZAMZWBJJ-YDJBNQETSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820900 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00105.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00105.txt index 4fe349a30bb..60169bc4c8b 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00105.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00105 -RECORD_TITLE: Testosterone; LC-APPI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Testosterone; LC-APPI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0020 CH$LINK: INCHIKEY MUMGGOZAMZWBJJ-YDJBNQETSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00106.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00106.txt index dfbda8d6a9f..c094796c76f 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00106.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00106 -RECORD_TITLE: Testosterone; LC-APPI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Testosterone; LC-APPI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0020 CH$LINK: INCHIKEY MUMGGOZAMZWBJJ-YDJBNQETSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00107.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00107.txt index 3e698069437..2b67e601e3a 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00107.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00107 -RECORD_TITLE: Testosterone; LC-APPI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Testosterone; LC-APPI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0020 CH$LINK: INCHIKEY MUMGGOZAMZWBJJ-YDJBNQETSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00108.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00108.txt index 15366aa2de7..ff9b405aab4 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00108.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00108 -RECORD_TITLE: Testosterone; LC-APPI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Testosterone; LC-APPI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0020 CH$LINK: INCHIKEY MUMGGOZAMZWBJJ-YDJBNQETSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00109.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00109.txt index 410d406279a..4cedda23114 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00109.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00109 -RECORD_TITLE: Testosterone; LC-APPI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Testosterone; LC-APPI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0020 CH$LINK: INCHIKEY MUMGGOZAMZWBJJ-YDJBNQETSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00110.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00110.txt index f63f130018b..1ac0ac21239 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00110.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00110.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00110 -RECORD_TITLE: Testosterone; LC-APPI-QQ; MS +RECORD_TITLE: Testosterone; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0020 CH$LINK: INCHIKEY MUMGGOZAMZWBJJ-YDJBNQETSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821067 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00111.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00111.txt index d8c9aabfea6..299ed905be0 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00111.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00111.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00111 -RECORD_TITLE: alpha-Estradiol; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ +RECORD_TITLE: alpha-Estradiol; LC-APPI-QQQ; MS2; CE:60 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 57-91-0 CH$LINK: INCHIKEY VOXZDWNPVJITMN-AWDGRILASA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00112.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00112.txt index 4fa963ddfee..b4cce8d922b 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00112.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00112.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00112 -RECORD_TITLE: alpha-Estradiol; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ +RECORD_TITLE: alpha-Estradiol; LC-APPI-QQQ; MS2; CE:50 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 57-91-0 CH$LINK: INCHIKEY VOXZDWNPVJITMN-AWDGRILASA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00113.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00113.txt index 6fc0ecaecd5..f7dcc338452 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00113.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00113.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00113 -RECORD_TITLE: alpha-Estradiol; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ +RECORD_TITLE: alpha-Estradiol; LC-APPI-QQQ; MS2; CE:40 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 57-91-0 CH$LINK: INCHIKEY VOXZDWNPVJITMN-AWDGRILASA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00114.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00114.txt index 200dd32f7c4..efb52a4d3f1 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00114.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00114.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00114 -RECORD_TITLE: alpha-Estradiol; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ +RECORD_TITLE: alpha-Estradiol; LC-APPI-QQQ; MS2; CE:30 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 57-91-0 CH$LINK: INCHIKEY VOXZDWNPVJITMN-AWDGRILASA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00115.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00115.txt index 18c5c0d6211..df6ed79d247 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00115.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00115.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00115 -RECORD_TITLE: alpha-Estradiol; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ +RECORD_TITLE: alpha-Estradiol; LC-APPI-QQQ; MS2; CE:20 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 57-91-0 CH$LINK: INCHIKEY VOXZDWNPVJITMN-AWDGRILASA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00116.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00116.txt index 4a5d486e818..1d28b64aa2f 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00116.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00116.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00116 -RECORD_TITLE: alpha-Estradiol; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ +RECORD_TITLE: alpha-Estradiol; LC-APPI-QQQ; MS2; CE:10 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 57-91-0 CH$LINK: INCHIKEY VOXZDWNPVJITMN-AWDGRILASA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00117.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00117.txt index 790265b382b..452757198eb 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00117.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00117.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00117 -RECORD_TITLE: alpha-Estradiol; LC-APPI-QQ; MS +RECORD_TITLE: alpha-Estradiol; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 57-91-0 CH$LINK: INCHIKEY VOXZDWNPVJITMN-AWDGRILASA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821067 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00118.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00118.txt index 00fe350ddb4..0fd5fc32ea0 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00118.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00118.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00118 -RECORD_TITLE: Brassicasterol; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ +RECORD_TITLE: Brassicasterol; LC-APPI-QQQ; MS2; CE:60 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9065 CH$LINK: INCHIKEY OILXMJHPFNGGTO-FQRXBOAXSA-N CH$LINK: ChemOnt CHEMONTID:0003567; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Ergostane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00119.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00119.txt index 68965de6f80..daaf0a6c854 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00119.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00119.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00119 -RECORD_TITLE: Brassicasterol; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ +RECORD_TITLE: Brassicasterol; LC-APPI-QQQ; MS2; CE:50 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9065 CH$LINK: INCHIKEY OILXMJHPFNGGTO-FQRXBOAXSA-N CH$LINK: ChemOnt CHEMONTID:0003567; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Ergostane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00120.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00120.txt index 74f87e83991..952ad02da57 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00120.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00120.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00120 -RECORD_TITLE: Brassicasterol; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ +RECORD_TITLE: Brassicasterol; LC-APPI-QQQ; MS2; CE:40 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9065 CH$LINK: INCHIKEY OILXMJHPFNGGTO-FQRXBOAXSA-N CH$LINK: ChemOnt CHEMONTID:0003567; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Ergostane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00121.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00121.txt index a30b7610a04..3d5a8a9fb3e 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00121.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00121.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00121 -RECORD_TITLE: Brassicasterol; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ +RECORD_TITLE: Brassicasterol; LC-APPI-QQQ; MS2; CE:30 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9065 CH$LINK: INCHIKEY OILXMJHPFNGGTO-FQRXBOAXSA-N CH$LINK: ChemOnt CHEMONTID:0003567; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Ergostane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00122.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00122.txt index 72fbb3a48cc..00a7c0186ce 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00122.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00122.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00122 -RECORD_TITLE: Brassicasterol; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ +RECORD_TITLE: Brassicasterol; LC-APPI-QQQ; MS2; CE:20 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9065 CH$LINK: INCHIKEY OILXMJHPFNGGTO-FQRXBOAXSA-N CH$LINK: ChemOnt CHEMONTID:0003567; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Ergostane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820950 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00123.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00123.txt index 5daee6a237d..ab1070d9b2c 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00123.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00123.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00123 -RECORD_TITLE: Brassicasterol; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ +RECORD_TITLE: Brassicasterol; LC-APPI-QQQ; MS2; CE:10 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9065 CH$LINK: INCHIKEY OILXMJHPFNGGTO-FQRXBOAXSA-N CH$LINK: ChemOnt CHEMONTID:0003567; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Ergostane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00124.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00124.txt index 1a667ebf05f..eabd6313449 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00124.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00124.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00124 -RECORD_TITLE: Brassicasterol; LC-APPI-QQ; MS +RECORD_TITLE: Brassicasterol; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST9065 CH$LINK: INCHIKEY OILXMJHPFNGGTO-FQRXBOAXSA-N CH$LINK: ChemOnt CHEMONTID:0003567; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Ergostane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821067 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00125.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00125.txt index 38bc55df61d..efef497a49a 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00125.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00125.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00125 -RECORD_TITLE: Estriol; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ +RECORD_TITLE: Estriol; LC-APPI-QQQ; MS2; CE:60 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0014 CH$LINK: INCHIKEY PROQIPRRNZUXQM-SBZGPEHISA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00126.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00126.txt index b1d62c3583b..be21ac49ec0 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00126.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00126.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00126 -RECORD_TITLE: Estriol; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ +RECORD_TITLE: Estriol; LC-APPI-QQQ; MS2; CE:50 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0014 CH$LINK: INCHIKEY PROQIPRRNZUXQM-SBZGPEHISA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00127.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00127.txt index fd021d6baad..d1766011647 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00127.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00127.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00127 -RECORD_TITLE: Estriol; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ +RECORD_TITLE: Estriol; LC-APPI-QQQ; MS2; CE:40 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0014 CH$LINK: INCHIKEY PROQIPRRNZUXQM-SBZGPEHISA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00128.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00128.txt index 469d0db33a8..32659847777 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00128.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00128.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00128 -RECORD_TITLE: Estriol; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ +RECORD_TITLE: Estriol; LC-APPI-QQQ; MS2; CE:30 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0014 CH$LINK: INCHIKEY PROQIPRRNZUXQM-SBZGPEHISA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00129.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00129.txt index 4a605fda0d4..744bc4298ae 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00129.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00129.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00129 -RECORD_TITLE: Estriol; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ +RECORD_TITLE: Estriol; LC-APPI-QQQ; MS2; CE:20 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0014 CH$LINK: INCHIKEY PROQIPRRNZUXQM-SBZGPEHISA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00130.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00130.txt index 8f0c8b1c916..6218c8b9474 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00130.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00130.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00130 -RECORD_TITLE: Estriol; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ +RECORD_TITLE: Estriol; LC-APPI-QQQ; MS2; CE:10 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0014 CH$LINK: INCHIKEY PROQIPRRNZUXQM-SBZGPEHISA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00131.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00131.txt index 4ce119eb78d..15365320dae 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00131.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00131.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00131 -RECORD_TITLE: Estriol; LC-APPI-QQ; MS2; CE:60 V; [M-2H2O+H]+ +RECORD_TITLE: Estriol; LC-APPI-QQQ; MS2; CE:60 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0014 CH$LINK: INCHIKEY PROQIPRRNZUXQM-SBZGPEHISA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00132.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00132.txt index 756071dd48d..1b8ec37dc45 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00132.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00132.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00132 -RECORD_TITLE: Estriol; LC-APPI-QQ; MS2; CE:50 V; [M-2H2O+H]+ +RECORD_TITLE: Estriol; LC-APPI-QQQ; MS2; CE:50 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0014 CH$LINK: INCHIKEY PROQIPRRNZUXQM-SBZGPEHISA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00133.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00133.txt index 704f8b037a2..85fe8c65eef 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00133.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00133.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00133 -RECORD_TITLE: Estriol; LC-APPI-QQ; MS2; CE:40 V; [M-2H2O+H]+ +RECORD_TITLE: Estriol; LC-APPI-QQQ; MS2; CE:40 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0014 CH$LINK: INCHIKEY PROQIPRRNZUXQM-SBZGPEHISA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00134.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00134.txt index fc625ed6478..3c9d6bddbb1 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00134.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00134.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00134 -RECORD_TITLE: Estriol; LC-APPI-QQ; MS2; CE:30 V; [M-2H2O+H]+ +RECORD_TITLE: Estriol; LC-APPI-QQQ; MS2; CE:30 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0014 CH$LINK: INCHIKEY PROQIPRRNZUXQM-SBZGPEHISA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00135.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00135.txt index 4859302c9bc..31583e3f02e 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00135.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00135.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00135 -RECORD_TITLE: Estriol; LC-APPI-QQ; MS2; CE:20 V; [M-2H2O+H]+ +RECORD_TITLE: Estriol; LC-APPI-QQQ; MS2; CE:20 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0014 CH$LINK: INCHIKEY PROQIPRRNZUXQM-SBZGPEHISA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820883 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00136.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00136.txt index 069c21b214a..8f8c04231f8 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00136.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00136.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00136 -RECORD_TITLE: Estriol; LC-APPI-QQ; MS2; CE:10 V; [M-2H2O+H]+ +RECORD_TITLE: Estriol; LC-APPI-QQQ; MS2; CE:10 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0014 CH$LINK: INCHIKEY PROQIPRRNZUXQM-SBZGPEHISA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00137.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00137.txt index 04b960de588..a9383f8da81 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00137.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00137.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00137 -RECORD_TITLE: Estriol; LC-APPI-QQ; MS +RECORD_TITLE: Estriol; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.03.01, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0014 CH$LINK: INCHIKEY PROQIPRRNZUXQM-SBZGPEHISA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821100 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00138.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00138.txt index 71e744727bc..506a5658bb8 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00138.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00138.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00138 -RECORD_TITLE: 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ +RECORD_TITLE: 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQQ; MS2; CE:60 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: CAS 571-22-2 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-NOLKSFPRSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00139.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00139.txt index dceae7cbb90..5a7896e28f4 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00139.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00139.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00139 -RECORD_TITLE: 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ +RECORD_TITLE: 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQQ; MS2; CE:50 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: CAS 571-22-2 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-NOLKSFPRSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00140.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00140.txt index d6c4b1c4cc6..7cc01a54ce3 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00140.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00140.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00140 -RECORD_TITLE: 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ +RECORD_TITLE: 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQQ; MS2; CE:40 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: CAS 571-22-2 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-NOLKSFPRSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00141.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00141.txt index 207022e96ae..b44d7da4655 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00141.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00141.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00141 -RECORD_TITLE: 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ +RECORD_TITLE: 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQQ; MS2; CE:30 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: CAS 571-22-2 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-NOLKSFPRSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00142.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00142.txt index 6ba42e46566..2d01839b098 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00142.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00142.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00142 -RECORD_TITLE: 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ +RECORD_TITLE: 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQQ; MS2; CE:20 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: CAS 571-22-2 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-NOLKSFPRSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00143.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00143.txt index 589095f4a2b..671bf6799a3 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00143.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00143.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00143 -RECORD_TITLE: 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ +RECORD_TITLE: 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQQ; MS2; CE:10 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: CAS 571-22-2 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-NOLKSFPRSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00144.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00144.txt index cb700332034..c4896d48184 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00144.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00144.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00144 -RECORD_TITLE: 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQ; MS +RECORD_TITLE: 5-beta-Androstan-17-beta-ol-3-one; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: CAS 571-22-2 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-NOLKSFPRSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821083 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00145.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00145.txt index 226d857dc95..930e191309f 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00145.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00145.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00145 -RECORD_TITLE: 5-beta-Androstane-3-alpha,17-beta-diol; LC-APPI-QQ; MS2; CE:60 V; [M-2H2O+H]+ +RECORD_TITLE: 5-beta-Androstane-3-alpha,17-beta-diol; LC-APPI-QQQ; MS2; CE:60 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: CAS 1851-23-6 CH$LINK: INCHIKEY CBMYJHIOYJEBSB-GCFMDFLISA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00146.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00146.txt index df328c4da08..c66b64cb78a 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00146.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00146.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00146 -RECORD_TITLE: 5-beta-Androstane-3-alpha,17-beta-diol; LC-APPI-QQ; MS2; CE:50 V; [M-2H2O+H]+ +RECORD_TITLE: 5-beta-Androstane-3-alpha,17-beta-diol; LC-APPI-QQQ; MS2; CE:50 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: CAS 1851-23-6 CH$LINK: INCHIKEY CBMYJHIOYJEBSB-GCFMDFLISA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00147.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00147.txt index 6a46cdc66e5..aa1b0615e87 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00147.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00147.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00147 -RECORD_TITLE: 5-beta-Androstane-3-alpha,17-beta-diol; LC-APPI-QQ; MS2; CE:40 V; [M-2H2O+H]+ +RECORD_TITLE: 5-beta-Androstane-3-alpha,17-beta-diol; LC-APPI-QQQ; MS2; CE:40 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: CAS 1851-23-6 CH$LINK: INCHIKEY CBMYJHIOYJEBSB-GCFMDFLISA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00148.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00148.txt index 2df59a9891d..3e40bf1bf16 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00148.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00148.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00148 -RECORD_TITLE: 5-beta-Androstane-3-alpha,17-beta-diol; LC-APPI-QQ; MS2; CE:30 V; [M-2H2O+H]+ +RECORD_TITLE: 5-beta-Androstane-3-alpha,17-beta-diol; LC-APPI-QQQ; MS2; CE:30 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: CAS 1851-23-6 CH$LINK: INCHIKEY CBMYJHIOYJEBSB-GCFMDFLISA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00149.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00149.txt index bf615cf9eb4..05b9e63e55c 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00149.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00149.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00149 -RECORD_TITLE: 5-beta-Androstane-3-alpha,17-beta-diol; LC-APPI-QQ; MS2; CE:20 V; [M-2H2O+H]+ +RECORD_TITLE: 5-beta-Androstane-3-alpha,17-beta-diol; LC-APPI-QQQ; MS2; CE:20 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: CAS 1851-23-6 CH$LINK: INCHIKEY CBMYJHIOYJEBSB-GCFMDFLISA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00150.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00150.txt index 0f7df5f81e9..ca8bd7e6451 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00150.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00150.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00150 -RECORD_TITLE: 5-beta-Androstane-3-alpha,17-beta-diol; LC-APPI-QQ; MS2; CE:10 V; [M-2H2O+H]+ +RECORD_TITLE: 5-beta-Androstane-3-alpha,17-beta-diol; LC-APPI-QQQ; MS2; CE:10 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: CAS 1851-23-6 CH$LINK: INCHIKEY CBMYJHIOYJEBSB-GCFMDFLISA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00151.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00151.txt index 21c1268a649..74361cad022 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00151.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00151.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00151 -RECORD_TITLE: 5-beta-Androstane-3-alpha,17-beta-diol; LC-APPI-QQ; MS +RECORD_TITLE: 5-beta-Androstane-3-alpha,17-beta-diol; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: CAS 1851-23-6 CH$LINK: INCHIKEY CBMYJHIOYJEBSB-GCFMDFLISA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821083 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00152.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00152.txt index d57b2cf1969..fd62b42d17a 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00152.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00152.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00152 -RECORD_TITLE: Epicholestanol; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ +RECORD_TITLE: Epicholestanol; LC-APPI-QQQ; MS2; CE:60 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0206 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-LNXFVTSZSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00153.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00153.txt index f074202c87e..83db3f147f1 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00153.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00153.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00153 -RECORD_TITLE: Epicholestanol; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ +RECORD_TITLE: Epicholestanol; LC-APPI-QQQ; MS2; CE:50 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0206 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-LNXFVTSZSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820900 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00154.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00154.txt index 62bc2e1416f..789faca08ce 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00154.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00154.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00154 -RECORD_TITLE: Epicholestanol; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ +RECORD_TITLE: Epicholestanol; LC-APPI-QQQ; MS2; CE:40 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0206 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-LNXFVTSZSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00155.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00155.txt index c8133d6bbf4..ac85bb0717c 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00155.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00155.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00155 -RECORD_TITLE: Epicholestanol; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ +RECORD_TITLE: Epicholestanol; LC-APPI-QQQ; MS2; CE:30 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0206 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-LNXFVTSZSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00156.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00156.txt index cd66c8961bd..8eca41ffee3 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00156.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00156.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00156 -RECORD_TITLE: Epicholestanol; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ +RECORD_TITLE: Epicholestanol; LC-APPI-QQQ; MS2; CE:20 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0206 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-LNXFVTSZSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820883 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00157.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00157.txt index 70f2003e8b3..9bf0b431dad 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00157.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00157.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00157 -RECORD_TITLE: Epicholestanol; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ +RECORD_TITLE: Epicholestanol; LC-APPI-QQQ; MS2; CE:10 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0206 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-LNXFVTSZSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00158.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00158.txt index 09f7c17dab4..7e365d218c5 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00158.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00158.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00158 -RECORD_TITLE: Epicholestanol; LC-APPI-QQ; MS +RECORD_TITLE: Epicholestanol; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0206 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-LNXFVTSZSA-N CH$LINK: ChemOnt CHEMONTID:0003566; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Cholestane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821067 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00159.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00159.txt index 7cd54e1d60f..b26c031672c 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00159.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00159.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00159 -RECORD_TITLE: Campesterol; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ +RECORD_TITLE: Campesterol; LC-APPI-QQQ; MS2; CE:60 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0036 CH$LINK: INCHIKEY SGNBVLSWZMBQTH-FEGPEKPQSA-N CH$LINK: ChemOnt CHEMONTID:0003567; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Ergostane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00160.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00160.txt index 1ea27805004..9f6336a0b8f 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00160.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00160.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00160 -RECORD_TITLE: Campesterol; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ +RECORD_TITLE: Campesterol; LC-APPI-QQQ; MS2; CE:50 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0036 CH$LINK: INCHIKEY SGNBVLSWZMBQTH-FEGPEKPQSA-N CH$LINK: ChemOnt CHEMONTID:0003567; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Ergostane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00161.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00161.txt index 9e55dbce902..a145956245e 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00161.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00161.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00161 -RECORD_TITLE: Campesterol; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ +RECORD_TITLE: Campesterol; LC-APPI-QQQ; MS2; CE:40 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0036 CH$LINK: INCHIKEY SGNBVLSWZMBQTH-FEGPEKPQSA-N CH$LINK: ChemOnt CHEMONTID:0003567; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Ergostane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00162.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00162.txt index d6c131275e3..f64de819bad 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00162.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00162.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00162 -RECORD_TITLE: Campesterol; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ +RECORD_TITLE: Campesterol; LC-APPI-QQQ; MS2; CE:30 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0036 CH$LINK: INCHIKEY SGNBVLSWZMBQTH-FEGPEKPQSA-N CH$LINK: ChemOnt CHEMONTID:0003567; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Ergostane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00163.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00163.txt index 9362fc95405..6b3321ea30a 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00163.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00163.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00163 -RECORD_TITLE: Campesterol; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ +RECORD_TITLE: Campesterol; LC-APPI-QQQ; MS2; CE:20 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0036 CH$LINK: INCHIKEY SGNBVLSWZMBQTH-FEGPEKPQSA-N CH$LINK: ChemOnt CHEMONTID:0003567; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Ergostane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00164.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00164.txt index 27d1837ab87..9e07b1ddcff 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00164.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00164.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00164 -RECORD_TITLE: Campesterol; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ +RECORD_TITLE: Campesterol; LC-APPI-QQQ; MS2; CE:10 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0036 CH$LINK: INCHIKEY SGNBVLSWZMBQTH-FEGPEKPQSA-N CH$LINK: ChemOnt CHEMONTID:0003567; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Ergostane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00165.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00165.txt index a5a0ac3932f..c46646b2ea2 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00165.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00165.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00165 -RECORD_TITLE: Campesterol; LC-APPI-QQ; MS +RECORD_TITLE: Campesterol; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0036 CH$LINK: INCHIKEY SGNBVLSWZMBQTH-FEGPEKPQSA-N CH$LINK: ChemOnt CHEMONTID:0003567; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Ergostane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821117 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00166.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00166.txt index 74ac702620a..e7f69d264a5 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00166.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00166.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00166 -RECORD_TITLE: Ethinyl estradiol; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ +RECORD_TITLE: Ethinyl estradiol; LC-APPI-QQQ; MS2; CE:60 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0068 CH$LINK: INCHIKEY BFPYWIDHMRZLRN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00167.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00167.txt index 44355fc7962..82ad6430fbd 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00167.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00167.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00167 -RECORD_TITLE: Ethinyl estradiol; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ +RECORD_TITLE: Ethinyl estradiol; LC-APPI-QQQ; MS2; CE:50 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0068 CH$LINK: INCHIKEY BFPYWIDHMRZLRN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00168.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00168.txt index 620ce4f4534..6624f62ee0a 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00168.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00168.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00168 -RECORD_TITLE: Ethinyl estradiol; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ +RECORD_TITLE: Ethinyl estradiol; LC-APPI-QQQ; MS2; CE:40 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0068 CH$LINK: INCHIKEY BFPYWIDHMRZLRN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820883 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00169.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00169.txt index 05b057b1e19..df38d3d1480 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00169.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00169.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00169 -RECORD_TITLE: Ethinyl estradiol; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ +RECORD_TITLE: Ethinyl estradiol; LC-APPI-QQQ; MS2; CE:30 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0068 CH$LINK: INCHIKEY BFPYWIDHMRZLRN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00170.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00170.txt index a6bdfc49fa3..33ba1ed794f 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00170.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00170.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00170 -RECORD_TITLE: Ethinyl estradiol; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ +RECORD_TITLE: Ethinyl estradiol; LC-APPI-QQQ; MS2; CE:20 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0068 CH$LINK: INCHIKEY BFPYWIDHMRZLRN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00171.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00171.txt index acee0717c11..46850bcfb2c 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00171.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00171.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00171 -RECORD_TITLE: Ethinyl estradiol; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ +RECORD_TITLE: Ethinyl estradiol; LC-APPI-QQQ; MS2; CE:10 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0068 CH$LINK: INCHIKEY BFPYWIDHMRZLRN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00172.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00172.txt index 58b29a79a6c..7cb9c76709a 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00172.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00172.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00172 -RECORD_TITLE: Ethinyl estradiol; LC-APPI-QQ; MS +RECORD_TITLE: Ethinyl estradiol; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0068 CH$LINK: INCHIKEY BFPYWIDHMRZLRN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821050 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00173.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00173.txt index c6557e45412..f4ddc255670 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00173.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00173.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00173 -RECORD_TITLE: Ergosterol; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ +RECORD_TITLE: Ergosterol; LC-APPI-QQQ; MS2; CE:60 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0012 CH$LINK: INCHIKEY DNVPQKQSNYMLRS-CTZLKQLBSA-N CH$LINK: ChemOnt CHEMONTID:0003567; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Ergostane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00174.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00174.txt index 5d15b219e92..427b5c6a1e8 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00174.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00174.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00174 -RECORD_TITLE: Ergosterol; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ +RECORD_TITLE: Ergosterol; LC-APPI-QQQ; MS2; CE:50 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0012 CH$LINK: INCHIKEY DNVPQKQSNYMLRS-CTZLKQLBSA-N CH$LINK: ChemOnt CHEMONTID:0003567; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Ergostane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00175.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00175.txt index d7ff3601121..0f200dc4243 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00175.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00175.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00175 -RECORD_TITLE: Ergosterol; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ +RECORD_TITLE: Ergosterol; LC-APPI-QQQ; MS2; CE:40 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0012 CH$LINK: INCHIKEY DNVPQKQSNYMLRS-CTZLKQLBSA-N CH$LINK: ChemOnt CHEMONTID:0003567; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Ergostane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00176.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00176.txt index deb5c8c01e8..f4358166d82 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00176.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00176.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00176 -RECORD_TITLE: Ergosterol; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ +RECORD_TITLE: Ergosterol; LC-APPI-QQQ; MS2; CE:30 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0012 CH$LINK: INCHIKEY DNVPQKQSNYMLRS-CTZLKQLBSA-N CH$LINK: ChemOnt CHEMONTID:0003567; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Ergostane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00177.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00177.txt index b63df3fc6b4..17af60ace9f 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00177.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00177.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00177 -RECORD_TITLE: Ergosterol; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ +RECORD_TITLE: Ergosterol; LC-APPI-QQQ; MS2; CE:20 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0012 CH$LINK: INCHIKEY DNVPQKQSNYMLRS-CTZLKQLBSA-N CH$LINK: ChemOnt CHEMONTID:0003567; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Ergostane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00178.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00178.txt index 195ea6c153e..96b02827000 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00178.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00178.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00178 -RECORD_TITLE: Ergosterol; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ +RECORD_TITLE: Ergosterol; LC-APPI-QQQ; MS2; CE:10 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0012 CH$LINK: INCHIKEY DNVPQKQSNYMLRS-CTZLKQLBSA-N CH$LINK: ChemOnt CHEMONTID:0003567; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Ergostane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820883 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00179.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00179.txt index 70afa14960e..ebcd54f3be2 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00179.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00179.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00179 -RECORD_TITLE: Ergosterol; LC-APPI-QQ; MS +RECORD_TITLE: Ergosterol; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.04.04, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0012 CH$LINK: INCHIKEY DNVPQKQSNYMLRS-CTZLKQLBSA-N CH$LINK: ChemOnt CHEMONTID:0003567; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Ergostane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821050 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00180.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00180.txt index 21a5b58f4d5..b4fb074cfde 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00180.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00180.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00180 -RECORD_TITLE: Epiandrosterone; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ +RECORD_TITLE: Epiandrosterone; LC-APPI-QQQ; MS2; CE:60 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: LIPIDBANK SST0205 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-CYFBJHQBSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00181.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00181.txt index 2764adc88af..cf490fad55f 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00181.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00181.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00181 -RECORD_TITLE: Epiandrosterone; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ +RECORD_TITLE: Epiandrosterone; LC-APPI-QQQ; MS2; CE:50 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: LIPIDBANK SST0205 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-CYFBJHQBSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00182.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00182.txt index eaf3c9a2fad..b825f46e089 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00182.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00182.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00182 -RECORD_TITLE: Epiandrosterone; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ +RECORD_TITLE: Epiandrosterone; LC-APPI-QQQ; MS2; CE:40 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: LIPIDBANK SST0205 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-CYFBJHQBSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00183.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00183.txt index f767f1a2427..5eeb3015a71 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00183.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00183.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00183 -RECORD_TITLE: Epiandrosterone; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ +RECORD_TITLE: Epiandrosterone; LC-APPI-QQQ; MS2; CE:30 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: LIPIDBANK SST0205 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-CYFBJHQBSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00184.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00184.txt index 8735000f694..ce571639d70 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00184.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00184.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00184 -RECORD_TITLE: Epiandrosterone; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ +RECORD_TITLE: Epiandrosterone; LC-APPI-QQQ; MS2; CE:20 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: LIPIDBANK SST0205 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-CYFBJHQBSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00185.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00185.txt index 734eb087e93..fff729fc471 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00185.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00185.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00185 -RECORD_TITLE: Epiandrosterone; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ +RECORD_TITLE: Epiandrosterone; LC-APPI-QQQ; MS2; CE:10 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: LIPIDBANK SST0205 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-CYFBJHQBSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00186.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00186.txt index c87f558bda0..61ff5f4f573 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00186.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00186.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00186 -RECORD_TITLE: Epiandrosterone; LC-APPI-QQ; MS2; CE:60 V; [M-2H2O+H]+ +RECORD_TITLE: Epiandrosterone; LC-APPI-QQQ; MS2; CE:60 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: LIPIDBANK SST0205 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-CYFBJHQBSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00187.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00187.txt index 171089f86f5..25b41610df4 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00187.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00187.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00187 -RECORD_TITLE: Epiandrosterone; LC-APPI-QQ; MS2; CE:50 V; [M-2H2O+H]+ +RECORD_TITLE: Epiandrosterone; LC-APPI-QQQ; MS2; CE:50 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: LIPIDBANK SST0205 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-CYFBJHQBSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00188.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00188.txt index 560c6efe706..0d36a294f1b 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00188.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00188.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00188 -RECORD_TITLE: Epiandrosterone; LC-APPI-QQ; MS2; CE:40 V; [M-2H2O+H]+ +RECORD_TITLE: Epiandrosterone; LC-APPI-QQQ; MS2; CE:40 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: LIPIDBANK SST0205 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-CYFBJHQBSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00189.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00189.txt index f434d479072..66c67773704 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00189.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00189.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00189 -RECORD_TITLE: Epiandrosterone; LC-APPI-QQ; MS2; CE:30 V; [M-2H2O+H]+ +RECORD_TITLE: Epiandrosterone; LC-APPI-QQQ; MS2; CE:30 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: LIPIDBANK SST0205 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-CYFBJHQBSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00190.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00190.txt index e2eb254b8c1..9809af70fc2 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00190.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00190.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00190 -RECORD_TITLE: Epiandrosterone; LC-APPI-QQ; MS2; CE:20 V; [M-2H2O+H]+ +RECORD_TITLE: Epiandrosterone; LC-APPI-QQQ; MS2; CE:20 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: LIPIDBANK SST0205 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-CYFBJHQBSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00191.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00191.txt index 74c7f6de2a4..3966fadfc0a 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00191.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00191.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00191 -RECORD_TITLE: Epiandrosterone; LC-APPI-QQ; MS2; CE:10 V; [M-2H2O+H]+ +RECORD_TITLE: Epiandrosterone; LC-APPI-QQQ; MS2; CE:10 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: LIPIDBANK SST0205 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-CYFBJHQBSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00192.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00192.txt index 9e559525e6f..59b1ed49f6f 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00192.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00192.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00192 -RECORD_TITLE: Epiandrosterone; LC-APPI-QQ; MS +RECORD_TITLE: Epiandrosterone; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: LIPIDBANK SST0205 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-CYFBJHQBSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821050 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00193.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00193.txt index be96266cec8..06f204bb9d6 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00193.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00193.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00193 -RECORD_TITLE: Genistein; LC-APPI-QQ; MS2; CE:60 V; [M+H]+ +RECORD_TITLE: Genistein; LC-APPI-QQQ; MS2; CE:60 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: COMPTOX DTXSID5022308 CH$LINK: PUBCHEM CID:5280961 CH$LINK: ChemOnt CHEMONTID:0002901; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00194.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00194.txt index c3898ff1cc9..a87a75b29b0 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00194.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00194.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00194 -RECORD_TITLE: Genistein; LC-APPI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Genistein; LC-APPI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: COMPTOX DTXSID5022308 CH$LINK: PUBCHEM CID:5280961 CH$LINK: ChemOnt CHEMONTID:0002901; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00195.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00195.txt index 22dde49ade7..93f0c56947c 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00195.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00195.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00195 -RECORD_TITLE: Genistein; LC-APPI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Genistein; LC-APPI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: COMPTOX DTXSID5022308 CH$LINK: PUBCHEM CID:5280961 CH$LINK: ChemOnt CHEMONTID:0002901; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820883 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00196.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00196.txt index 016804ff9ef..76c46f25bb4 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00196.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00196.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00196 -RECORD_TITLE: Genistein; LC-APPI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Genistein; LC-APPI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: COMPTOX DTXSID5022308 CH$LINK: PUBCHEM CID:5280961 CH$LINK: ChemOnt CHEMONTID:0002901; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00197.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00197.txt index 3d656e80464..a56d2ba748f 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00197.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00197.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00197 -RECORD_TITLE: Genistein; LC-APPI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Genistein; LC-APPI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: COMPTOX DTXSID5022308 CH$LINK: PUBCHEM CID:5280961 CH$LINK: ChemOnt CHEMONTID:0002901; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00198.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00198.txt index ec207e36994..df86c489682 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00198.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00198.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00198 -RECORD_TITLE: Genistein; LC-APPI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Genistein; LC-APPI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: COMPTOX DTXSID5022308 CH$LINK: PUBCHEM CID:5280961 CH$LINK: ChemOnt CHEMONTID:0002901; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00199.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00199.txt index 9ef9cc226f2..fe81e8dd88c 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00199.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00199.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00199 -RECORD_TITLE: Genistein; LC-APPI-QQ; MS +RECORD_TITLE: Genistein; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: COMPTOX DTXSID5022308 CH$LINK: PUBCHEM CID:5280961 CH$LINK: ChemOnt CHEMONTID:0002901; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821100 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00200.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00200.txt index 4031d651441..9ba5cade176 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00200.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00200.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00200 -RECORD_TITLE: Progesterone; LC-APPI-QQ; MS2; CE:60 V; [M+H]+ +RECORD_TITLE: Progesterone; LC-APPI-QQQ; MS2; CE:60 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 57-83-0 CH$LINK: INCHIKEY RJKFOVLPORLFTN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003569; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00201.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00201.txt index f4548cde85f..8dcfa9ee884 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00201.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00201 -RECORD_TITLE: Progesterone; LC-APPI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Progesterone; LC-APPI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 57-83-0 CH$LINK: INCHIKEY RJKFOVLPORLFTN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003569; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00202.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00202.txt index 24d65ee19ad..05b72c2c9bb 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00202.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00202 -RECORD_TITLE: Progesterone; LC-APPI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Progesterone; LC-APPI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 57-83-0 CH$LINK: INCHIKEY RJKFOVLPORLFTN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003569; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00203.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00203.txt index df4d84e65fc..751f1afdf38 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00203.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00203 -RECORD_TITLE: Progesterone; LC-APPI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Progesterone; LC-APPI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 57-83-0 CH$LINK: INCHIKEY RJKFOVLPORLFTN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003569; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00204.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00204.txt index 4e72a028329..316a4559ccd 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00204.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00204 -RECORD_TITLE: Progesterone; LC-APPI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Progesterone; LC-APPI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 57-83-0 CH$LINK: INCHIKEY RJKFOVLPORLFTN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003569; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00205.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00205.txt index 20b897c2e32..ef584fbd72a 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00205.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00205 -RECORD_TITLE: Progesterone; LC-APPI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Progesterone; LC-APPI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 57-83-0 CH$LINK: INCHIKEY RJKFOVLPORLFTN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003569; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00206.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00206.txt index 3ffa3110b53..506413590bd 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00206.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00206 -RECORD_TITLE: Progesterone; LC-APPI-QQ; MS +RECORD_TITLE: Progesterone; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 57-83-0 CH$LINK: INCHIKEY RJKFOVLPORLFTN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003569; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Pregnane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821133 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00207.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00207.txt index bfb8e4ba3c1..5911789ee60 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00207.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00207 -RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:60 V; [M+H]+ +RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQQ; MS2; CE:60 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00208.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00208.txt index 472a771d3b2..4636331f5d9 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00208.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00208 -RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00209.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00209.txt index ab26fb1ec0f..d1e7565283c 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00209.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00209 -RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00210.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00210.txt index 6c188b6d430..49f570929f0 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00210.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00210.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00210 -RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00211.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00211.txt index 17de367d492..98d2e8d9154 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00211.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00211.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00211 -RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00212.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00212.txt index 9ca16004bdc..6ca9e52c478 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00212.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00212.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00212 -RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00213.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00213.txt index 15b547319eb..afe9bd074a1 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00213.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00213.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00213 -RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ +RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQQ; MS2; CE:60 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820883 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00214.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00214.txt index 99b7a9ceada..98da63cb0a5 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00214.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00214.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00214 -RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ +RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQQ; MS2; CE:50 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00215.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00215.txt index 457be3e2b0e..f22c60c662b 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00215.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00215.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00215 -RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ +RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQQ; MS2; CE:40 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00216.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00216.txt index d3aa175d327..9d4c5259340 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00216.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00216.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00216 -RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ +RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQQ; MS2; CE:30 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00217.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00217.txt index ba6d2376a37..a55b6825734 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00217.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00217.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00217 -RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ +RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQQ; MS2; CE:20 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00218.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00218.txt index ce19dedf037..a47eb3aa592 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00218.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00218.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00218 -RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ +RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQQ; MS2; CE:10 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00219.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00219.txt index 25f1f87b4c2..2a9e3e8fe1d 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00219.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00219.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00219 -RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:60 V; [M-2H2O+H]+ +RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQQ; MS2; CE:60 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00220.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00220.txt index 6355e28ed1c..41aa156babf 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00220.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00220.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00220 -RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:50 V; [M-2H2O+H]+ +RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQQ; MS2; CE:50 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00221.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00221.txt index a904caecdab..ce64acbb34d 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00221.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00221.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00221 -RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:40 V; [M-2H2O+H]+ +RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQQ; MS2; CE:40 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00222.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00222.txt index e7638b27e3d..eea96c31dbe 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00222.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00222.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00222 -RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:30 V; [M-2H2O+H]+ +RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQQ; MS2; CE:30 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00223.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00223.txt index 1b6c9f1f096..e3ba0b41940 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00223.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00223.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00223 -RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:20 V; [M-2H2O+H]+ +RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQQ; MS2; CE:20 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00224.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00224.txt index 950145da704..b673970b61b 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00224.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00224.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00224 -RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:10 V; [M-2H2O+H]+ +RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQQ; MS2; CE:10 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00225.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00225.txt index e4c63fc4e20..90af8cf0637 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00225.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00225.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00225 -RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:60 V; [M+CH3]+ +RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQQ; MS2; CE:60 V; [M+CH3]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00226.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00226.txt index a207f94346d..5bab04592c0 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00226.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00226.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00226 -RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:50 V; [M+CH3]+ +RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQQ; MS2; CE:50 V; [M+CH3]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820900 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00227.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00227.txt index aba185516e5..6af129d250e 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00227.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00227.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00227 -RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:40 V; [M+CH3]+ +RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQQ; MS2; CE:40 V; [M+CH3]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00228.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00228.txt index 2a1d7992664..3566c8e4270 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00228.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00228.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00228 -RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:30 V; [M+CH3]+ +RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQQ; MS2; CE:30 V; [M+CH3]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00229.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00229.txt index 05ceb4a2c36..e5bf8cbbcb1 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00229.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00229.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00229 -RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:20 V; [M+CH3]+ +RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQQ; MS2; CE:20 V; [M+CH3]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00230.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00230.txt index 902a86303f8..70cdc036f66 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00230.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00230.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00230 -RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:10 V; [M+CH3]+ +RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQQ; MS2; CE:10 V; [M+CH3]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00231.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00231.txt index 832c90d0d39..87538c1ff3d 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00231.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00231.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00231 -RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS +RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0297 CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821067 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00232.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00232.txt index 04b415733d9..ec858c50ea2 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00232.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00232.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00232 -RECORD_TITLE: Estrone; LC-APPI-QQ; MS2; CE:60 V; [M+H]+ +RECORD_TITLE: Estrone; LC-APPI-QQQ; MS2; CE:60 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 53-16-7 CH$LINK: INCHIKEY DNXHEGUUPJUMQT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00233.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00233.txt index cb74db77ca4..23ed663d80f 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00233.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00233.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00233 -RECORD_TITLE: Estrone; LC-APPI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Estrone; LC-APPI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: CAS 53-16-7 CH$LINK: INCHIKEY DNXHEGUUPJUMQT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00234.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00234.txt index 689cec69eeb..c17dc5e04b1 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00234.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00234.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00234 -RECORD_TITLE: Estrone; LC-APPI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Estrone; LC-APPI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0015 CH$LINK: INCHIKEY DNXHEGUUPJUMQT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00235.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00235.txt index efcb4ba4122..4b7998405f7 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00235.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00235.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00235 -RECORD_TITLE: Estrone; LC-APPI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Estrone; LC-APPI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0015 CH$LINK: INCHIKEY DNXHEGUUPJUMQT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00236.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00236.txt index 99f1d16de4e..92661d2f7d0 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00236.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00236.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00236 -RECORD_TITLE: Estrone; LC-APPI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Estrone; LC-APPI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0015 CH$LINK: INCHIKEY DNXHEGUUPJUMQT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00237.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00237.txt index f4eaf931bdf..252da720251 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00237.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00237.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00237 -RECORD_TITLE: Estrone; LC-APPI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Estrone; LC-APPI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0015 CH$LINK: INCHIKEY DNXHEGUUPJUMQT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00238.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00238.txt index fad0ac793bf..68e53996bcf 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00238.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00238.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00238 -RECORD_TITLE: Estrone; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ +RECORD_TITLE: Estrone; LC-APPI-QQQ; MS2; CE:60 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0015 CH$LINK: INCHIKEY DNXHEGUUPJUMQT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00239.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00239.txt index 1310ee2172e..fc18f4ff42f 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00239.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00239.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00239 -RECORD_TITLE: Estrone; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ +RECORD_TITLE: Estrone; LC-APPI-QQQ; MS2; CE:50 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0015 CH$LINK: INCHIKEY DNXHEGUUPJUMQT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820883 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00240.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00240.txt index 6af3247ae0b..b836754ef00 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00240.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00240.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00240 -RECORD_TITLE: Estrone; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ +RECORD_TITLE: Estrone; LC-APPI-QQQ; MS2; CE:40 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0015 CH$LINK: INCHIKEY DNXHEGUUPJUMQT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00241.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00241.txt index 7f8020a5a24..47510bdcd1f 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00241.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00241.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00241 -RECORD_TITLE: Estrone; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ +RECORD_TITLE: Estrone; LC-APPI-QQQ; MS2; CE:30 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0015 CH$LINK: INCHIKEY DNXHEGUUPJUMQT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00242.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00242.txt index 2517af5de5e..f527c5e7005 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00242.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00242.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00242 -RECORD_TITLE: Estrone; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ +RECORD_TITLE: Estrone; LC-APPI-QQQ; MS2; CE:20 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0015 CH$LINK: INCHIKEY DNXHEGUUPJUMQT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00243.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00243.txt index 885a48598d7..dc5a1118bbf 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00243.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00243.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00243 -RECORD_TITLE: Estrone; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ +RECORD_TITLE: Estrone; LC-APPI-QQQ; MS2; CE:10 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0015 CH$LINK: INCHIKEY DNXHEGUUPJUMQT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00244.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00244.txt index a643850f9fe..dbdd28f6a6d 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00244.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00244.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00244 -RECORD_TITLE: Estrone; LC-APPI-QQ; MS +RECORD_TITLE: Estrone; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0015 CH$LINK: INCHIKEY DNXHEGUUPJUMQT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.804333 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00245.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00245.txt index 909fac2930f..3932a3d0b96 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00245.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00245.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00245 -RECORD_TITLE: Androsterone; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ +RECORD_TITLE: Androsterone; LC-APPI-QQQ; MS2; CE:60 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0002 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-LISVHTKMSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00246.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00246.txt index f5cafabcbed..a140dbffe16 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00246.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00246.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00246 -RECORD_TITLE: Androsterone; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ +RECORD_TITLE: Androsterone; LC-APPI-QQQ; MS2; CE:50 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0002 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-LISVHTKMSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00247.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00247.txt index fdbdf322c12..e101bb7a53c 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00247.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00247.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00247 -RECORD_TITLE: Androsterone; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ +RECORD_TITLE: Androsterone; LC-APPI-QQQ; MS2; CE:40 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0002 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-LISVHTKMSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00248.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00248.txt index 0964839bd12..321e3b5573f 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00248.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00248.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00248 -RECORD_TITLE: Androsterone; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ +RECORD_TITLE: Androsterone; LC-APPI-QQQ; MS2; CE:30 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0002 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-LISVHTKMSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00249.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00249.txt index ae71413d33a..4dd256afe3b 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00249.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00249.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00249 -RECORD_TITLE: Androsterone; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ +RECORD_TITLE: Androsterone; LC-APPI-QQQ; MS2; CE:20 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0002 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-LISVHTKMSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00250.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00250.txt index b8acfbc234f..2159bdf557d 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00250.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00250.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00250 -RECORD_TITLE: Androsterone; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ +RECORD_TITLE: Androsterone; LC-APPI-QQQ; MS2; CE:10 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0002 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-LISVHTKMSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00251.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00251.txt index efa777252c5..1bcde659305 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00251.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00251.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00251 -RECORD_TITLE: Androsterone; LC-APPI-QQ; MS2; CE:60 V; [M-2H2O+H]+ +RECORD_TITLE: Androsterone; LC-APPI-QQQ; MS2; CE:60 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0002 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-LISVHTKMSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00252.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00252.txt index a9360931ce2..b36d8b33f1c 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00252.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00252.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00252 -RECORD_TITLE: Androsterone; LC-APPI-QQ; MS2; CE:50 V; [M-2H2O+H]+ +RECORD_TITLE: Androsterone; LC-APPI-QQQ; MS2; CE:50 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0002 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-LISVHTKMSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00253.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00253.txt index 264a0479f1f..184f0d4ce05 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00253.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00253.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00253 -RECORD_TITLE: Androsterone; LC-APPI-QQ; MS2; CE:40 V; [M-2H2O+H]+ +RECORD_TITLE: Androsterone; LC-APPI-QQQ; MS2; CE:40 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0002 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-LISVHTKMSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00254.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00254.txt index 5eafd1d56bb..aa18654a82f 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00254.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00254.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00254 -RECORD_TITLE: Androsterone; LC-APPI-QQ; MS2; CE:30 V; [M-2H2O+H]+ +RECORD_TITLE: Androsterone; LC-APPI-QQQ; MS2; CE:30 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0002 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-LISVHTKMSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00255.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00255.txt index ffc4a4cae6a..5912e9f138e 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00255.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00255.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00255 -RECORD_TITLE: Androsterone; LC-APPI-QQ; MS2; CE:20 V; [M-2H2O+H]+ +RECORD_TITLE: Androsterone; LC-APPI-QQQ; MS2; CE:20 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0002 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-LISVHTKMSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00256.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00256.txt index e016361f77b..7fb0854ec29 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00256.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00256.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00256 -RECORD_TITLE: Androsterone; LC-APPI-QQ; MS2; CE:10 V; [M-2H2O+H]+ +RECORD_TITLE: Androsterone; LC-APPI-QQQ; MS2; CE:10 V; [M-2H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0002 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-LISVHTKMSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00257.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00257.txt index 9e0e1b49e95..ce722af7dc0 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00257.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00257.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00257 -RECORD_TITLE: Androsterone; LC-APPI-QQ; MS +RECORD_TITLE: Androsterone; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0002 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-LISVHTKMSA-N CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821083 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00258.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00258.txt index d7a0911c526..ab2860befc9 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00258.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00258.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00258 -RECORD_TITLE: Androstenedione; LC-APPI-QQ; MS2; CE:60 V; [M+H]+ +RECORD_TITLE: Androstenedione; LC-APPI-QQQ; MS2; CE:60 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY AEMFNILZOJDQLW-WFZCBACDSA-N CH$LINK: COMPTOX DTXSID40424100 CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820917 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00259.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00259.txt index 671915d4f02..34260fff576 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00259.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00259.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00259 -RECORD_TITLE: Androstenedione; LC-APPI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Androstenedione; LC-APPI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY AEMFNILZOJDQLW-WFZCBACDSA-N CH$LINK: COMPTOX DTXSID40424100 CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00260.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00260.txt index fdd2b6ee9f4..aebf133a423 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00260.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00260.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00260 -RECORD_TITLE: Androstenedione; LC-APPI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Androstenedione; LC-APPI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY AEMFNILZOJDQLW-WFZCBACDSA-N CH$LINK: COMPTOX DTXSID40424100 CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00261.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00261.txt index a8f3a77bb7f..61c8fabfbbb 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00261.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00261.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00261 -RECORD_TITLE: Androstenedione; LC-APPI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Androstenedione; LC-APPI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY AEMFNILZOJDQLW-WFZCBACDSA-N CH$LINK: COMPTOX DTXSID40424100 CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00262.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00262.txt index 9a24448082f..ab90fc75a86 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00262.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00262.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00262 -RECORD_TITLE: Androstenedione; LC-APPI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Androstenedione; LC-APPI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY AEMFNILZOJDQLW-WFZCBACDSA-N CH$LINK: COMPTOX DTXSID40424100 CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820900 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00263.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00263.txt index e708c3e5aca..cd453340840 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00263.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00263.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00263 -RECORD_TITLE: Androstenedione; LC-APPI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Androstenedione; LC-APPI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY AEMFNILZOJDQLW-WFZCBACDSA-N CH$LINK: COMPTOX DTXSID40424100 CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00264.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00264.txt index a578e065825..d3a1fc209ef 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00264.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00264.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00264 -RECORD_TITLE: Androstenedione; LC-APPI-QQ; MS +RECORD_TITLE: Androstenedione; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY AEMFNILZOJDQLW-WFZCBACDSA-N CH$LINK: COMPTOX DTXSID40424100 CH$LINK: ChemOnt CHEMONTID:0003568; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Androstane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821083 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00265.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00265.txt index 36597809b62..39dea877100 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00265.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00265.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00265 -RECORD_TITLE: Stigmasterol; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ +RECORD_TITLE: Stigmasterol; LC-APPI-QQQ; MS2; CE:60 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0019 CH$LINK: INCHIKEY HCXVJBMSMIARIN-WWUFFIEYSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820883 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00266.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00266.txt index 5b72bf2b437..e16ceacbc9c 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00266.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00266.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00266 -RECORD_TITLE: Stigmasterol; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ +RECORD_TITLE: Stigmasterol; LC-APPI-QQQ; MS2; CE:50 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0019 CH$LINK: INCHIKEY HCXVJBMSMIARIN-WWUFFIEYSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820833 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00267.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00267.txt index 28374508f3a..f9ea25f84a4 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00267.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00267.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00267 -RECORD_TITLE: Stigmasterol; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ +RECORD_TITLE: Stigmasterol; LC-APPI-QQQ; MS2; CE:40 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0019 CH$LINK: INCHIKEY HCXVJBMSMIARIN-WWUFFIEYSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00268.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00268.txt index 7b0a19d85a5..b5fa7921247 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00268.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00268.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00268 -RECORD_TITLE: Stigmasterol; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ +RECORD_TITLE: Stigmasterol; LC-APPI-QQQ; MS2; CE:30 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0019 CH$LINK: INCHIKEY HCXVJBMSMIARIN-WWUFFIEYSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00269.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00269.txt index 0f50f0da3fa..a580c5342a2 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00269.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00269.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00269 -RECORD_TITLE: Stigmasterol; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ +RECORD_TITLE: Stigmasterol; LC-APPI-QQQ; MS2; CE:20 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0019 CH$LINK: INCHIKEY HCXVJBMSMIARIN-WWUFFIEYSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00270.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00270.txt index 9db265e9280..5dacc18fdbe 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00270.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00270.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00270 -RECORD_TITLE: Stigmasterol; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ +RECORD_TITLE: Stigmasterol; LC-APPI-QQQ; MS2; CE:10 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0019 CH$LINK: INCHIKEY HCXVJBMSMIARIN-WWUFFIEYSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820883 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00271.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00271.txt index 5fba3e6034b..c50cabfd337 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00271.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00271.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00271 -RECORD_TITLE: Stigmasterol; LC-APPI-QQ; MS +RECORD_TITLE: Stigmasterol; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0019 CH$LINK: INCHIKEY HCXVJBMSMIARIN-WWUFFIEYSA-N CH$LINK: ChemOnt CHEMONTID:0002031; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Stigmastanes and derivatives AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821067 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00272.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00272.txt index 65514b10cf3..9a1849bf9e0 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00272.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00272.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00272 -RECORD_TITLE: beta-Estradiol; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ +RECORD_TITLE: beta-Estradiol; LC-APPI-QQQ; MS2; CE:60 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0013 CH$LINK: INCHIKEY VOXZDWNPVJITMN-LESVLKBLSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00273.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00273.txt index 54e9fe08dc8..a5895a7733f 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00273.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00273.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00273 -RECORD_TITLE: beta-Estradiol; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ +RECORD_TITLE: beta-Estradiol; LC-APPI-QQQ; MS2; CE:50 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0013 CH$LINK: INCHIKEY VOXZDWNPVJITMN-LESVLKBLSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00274.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00274.txt index 94eb3e51fbe..03c3cee8fa9 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00274.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00274.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00274 -RECORD_TITLE: beta-Estradiol; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ +RECORD_TITLE: beta-Estradiol; LC-APPI-QQQ; MS2; CE:40 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0013 CH$LINK: INCHIKEY VOXZDWNPVJITMN-LESVLKBLSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820933 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00275.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00275.txt index 9d8bffe384d..905838360cf 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00275.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00275.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00275 -RECORD_TITLE: beta-Estradiol; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ +RECORD_TITLE: beta-Estradiol; LC-APPI-QQQ; MS2; CE:30 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0013 CH$LINK: INCHIKEY VOXZDWNPVJITMN-LESVLKBLSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00276.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00276.txt index 3855878a352..706e59174cf 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00276.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00276.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00276 -RECORD_TITLE: beta-Estradiol; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ +RECORD_TITLE: beta-Estradiol; LC-APPI-QQQ; MS2; CE:20 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0013 CH$LINK: INCHIKEY VOXZDWNPVJITMN-LESVLKBLSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00277.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00277.txt index 6bb829c97ed..85d48dc3c6c 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00277.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00277.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00277 -RECORD_TITLE: beta-Estradiol; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ +RECORD_TITLE: beta-Estradiol; LC-APPI-QQQ; MS2; CE:10 V; [M-H2O+H]+ DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0013 CH$LINK: INCHIKEY VOXZDWNPVJITMN-LESVLKBLSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00278.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00278.txt index 710219496b9..ab4976c53d3 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00278.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00278.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00278 -RECORD_TITLE: beta-Estradiol; LC-APPI-QQ; MS +RECORD_TITLE: beta-Estradiol; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.04.05, modified 2011.06.20) AUTHORS: Atsushi Yamamoto, PFOS.jp LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: LIPIDBANK SST0013 CH$LINK: INCHIKEY VOXZDWNPVJITMN-LESVLKBLSA-N CH$LINK: ChemOnt CHEMONTID:0001466; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Estrane steroids AC$INSTRUMENT: API2000 -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821067 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00283.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00283.txt index 6ad7007ed63..ce4db77a11c 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00283.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00283.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00283 -RECORD_TITLE: Oseltamivir; LC-APPI-QQ; MS2; CE20; [M+H]+ +RECORD_TITLE: Oseltamivir; LC-APPI-QQQ; MS2; CE20; [M+H]+ DATE: 2016.01.19 (Created 2011.04.26) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY VSZGPKBBMSAYNT-RRFJBIMHSA-N CH$LINK: COMPTOX DTXSID9044291 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20V diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00284.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00284.txt index 84c1c410669..6933e261f68 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00284.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00284.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00284 -RECORD_TITLE: Oseltamivir; LC-APPI-QQ; MS2; CE10; [M+H]+ +RECORD_TITLE: Oseltamivir; LC-APPI-QQQ; MS2; CE10; [M+H]+ DATE: 2016.01.19 (Created 2011.04.26) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY VSZGPKBBMSAYNT-RRFJBIMHSA-N CH$LINK: COMPTOX DTXSID9044291 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10V diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00285.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00285.txt index 4fb34527cbf..3fe2976840c 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00285.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00285.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00285 -RECORD_TITLE: Oseltamivir; LC-APPI-QQ; MS +RECORD_TITLE: Oseltamivir; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.04.26) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY VSZGPKBBMSAYNT-RRFJBIMHSA-N CH$LINK: COMPTOX DTXSID9044291 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821100 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00286.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00286.txt index 927b77e25e4..978b3423172 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00286.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00286.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00286 -RECORD_TITLE: Oseltamivir acid; LC-APPI-QQ; MS2; CE60; [M+H]+ +RECORD_TITLE: Oseltamivir acid; LC-APPI-QQQ; MS2; CE60; [M+H]+ DATE: 2016.01.19 (Created 2011.04.26) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY NENPYTRHICXVCS-YNEHKIRRSA-N CH$LINK: COMPTOX DTXSID50171996 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60V diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00287.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00287.txt index 8a8490fcb83..0523a76b79f 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00287.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00287.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00287 -RECORD_TITLE: Oseltamivir acid; LC-APPI-QQ; MS2; CE50; [M+H]+ +RECORD_TITLE: Oseltamivir acid; LC-APPI-QQQ; MS2; CE50; [M+H]+ DATE: 2016.01.19 (Created 2011.04.26) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY NENPYTRHICXVCS-YNEHKIRRSA-N CH$LINK: COMPTOX DTXSID50171996 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50V diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00288.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00288.txt index e2da68a5533..cf86af1af59 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00288.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00288.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00288 -RECORD_TITLE: Oseltamivir acid; LC-APPI-QQ; MS2; CE40; [M+H]+ +RECORD_TITLE: Oseltamivir acid; LC-APPI-QQQ; MS2; CE40; [M+H]+ DATE: 2016.01.19 (Created 2011.04.26) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY NENPYTRHICXVCS-YNEHKIRRSA-N CH$LINK: COMPTOX DTXSID50171996 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40V diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00289.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00289.txt index adf2e46eb4e..eb54dbe1956 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00289.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00289.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00289 -RECORD_TITLE: Oseltamivir acid; LC-APPI-QQ; MS2; CE30; [M+H]+ +RECORD_TITLE: Oseltamivir acid; LC-APPI-QQQ; MS2; CE30; [M+H]+ DATE: 2016.01.19 (Created 2011.04.26) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY NENPYTRHICXVCS-YNEHKIRRSA-N CH$LINK: COMPTOX DTXSID50171996 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30V diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00290.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00290.txt index b825fef62c5..8094baf3da1 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00290.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00290.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00290 -RECORD_TITLE: Oseltamivir acid; LC-APPI-QQ; MS2; CE20; [M+H]+ +RECORD_TITLE: Oseltamivir acid; LC-APPI-QQQ; MS2; CE20; [M+H]+ DATE: 2016.01.19 (Created 2011.04.26) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY NENPYTRHICXVCS-YNEHKIRRSA-N CH$LINK: COMPTOX DTXSID50171996 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20V diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00291.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00291.txt index bba64b343d4..21a38baad88 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00291.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00291.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00291 -RECORD_TITLE: Oseltamivir acid; LC-APPI-QQ; MS2; CE10; [M+H]+ +RECORD_TITLE: Oseltamivir acid; LC-APPI-QQQ; MS2; CE10; [M+H]+ DATE: 2016.01.19 (Created 2011.04.26) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY NENPYTRHICXVCS-YNEHKIRRSA-N CH$LINK: COMPTOX DTXSID50171996 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10V diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00292.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00292.txt index bbd88258fd3..dbb1d3cc465 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00292.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00292.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00292 -RECORD_TITLE: Oseltamivir acid; LC-APPI-QQ; MS +RECORD_TITLE: Oseltamivir acid; LC-APPI-QQQ; MS DATE: 2016.01.19 (Created 2011.04.26) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY NENPYTRHICXVCS-YNEHKIRRSA-N CH$LINK: COMPTOX DTXSID50171996 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: API2000, Applied -AC$INSTRUMENT_TYPE: LC-APPI-QQ +AC$INSTRUMENT_TYPE: LC-APPI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821083 min diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00293.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00293.txt index c4de6b80a19..80cb33b5c6b 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00293.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00293.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00293 -RECORD_TITLE: nPFOS; LC-ESI-QQ; MS2; CE10eV; [M-H]- +RECORD_TITLE: nPFOS; LC-ESI-QQQ; MS2; CE10eV; [M-H]- DATE: 2016.01.19 (Created 2012.06.11) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY YFSUTJLHUFNCNZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3031864 CH$LINK: ChemOnt CHEMONTID:0001027; Organic compounds; Organohalogen compounds; Alkyl halides; Alkyl fluorides AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00294.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00294.txt index 7fce6d03aef..31e096e3193 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00294.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00294.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00294 -RECORD_TITLE: nPFOS; LC-ESI-QQ; MS2; CE20eV; [M-H]- +RECORD_TITLE: nPFOS; LC-ESI-QQQ; MS2; CE20eV; [M-H]- DATE: 2016.01.19 (Created 2012.06.11) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY YFSUTJLHUFNCNZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3031864 CH$LINK: ChemOnt CHEMONTID:0001027; Organic compounds; Organohalogen compounds; Alkyl halides; Alkyl fluorides AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00295.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00295.txt index 80752d1f536..060ed22fb83 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00295.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00295.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00295 -RECORD_TITLE: nPFOS; LC-ESI-QQ; MS2; CE30eV; [M-H]- +RECORD_TITLE: nPFOS; LC-ESI-QQQ; MS2; CE30eV; [M-H]- DATE: 2016.01.19 (Created 2012.06.11) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY YFSUTJLHUFNCNZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3031864 CH$LINK: ChemOnt CHEMONTID:0001027; Organic compounds; Organohalogen compounds; Alkyl halides; Alkyl fluorides AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00296.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00296.txt index d1b1cf4315c..4450d821305 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00296.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00296.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00296 -RECORD_TITLE: nPFOS; LC-ESI-QQ; MS2; CE40eV; [M-H]- +RECORD_TITLE: nPFOS; LC-ESI-QQQ; MS2; CE40eV; [M-H]- DATE: 2016.01.19 (Created 2012.06.11) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY YFSUTJLHUFNCNZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3031864 CH$LINK: ChemOnt CHEMONTID:0001027; Organic compounds; Organohalogen compounds; Alkyl halides; Alkyl fluorides AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00297.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00297.txt index d8941545396..2a17fb998cb 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00297.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00297.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00297 -RECORD_TITLE: nPFOS; LC-ESI-QQ; MS2; CE50eV; [M-H]- +RECORD_TITLE: nPFOS; LC-ESI-QQQ; MS2; CE50eV; [M-H]- DATE: 2016.01.19 (Created 2012.06.11) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY YFSUTJLHUFNCNZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3031864 CH$LINK: ChemOnt CHEMONTID:0001027; Organic compounds; Organohalogen compounds; Alkyl halides; Alkyl fluorides AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00298.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00298.txt index a8389edcce2..9cbbd5894c3 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00298.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00298.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00298 -RECORD_TITLE: nPFOS; LC-ESI-QQ; MS2; CE60eV; [M-H]- +RECORD_TITLE: nPFOS; LC-ESI-QQQ; MS2; CE60eV; [M-H]- DATE: 2016.01.19 (Created 2012.06.11) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY YFSUTJLHUFNCNZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3031864 CH$LINK: ChemOnt CHEMONTID:0001027; Organic compounds; Organohalogen compounds; Alkyl halides; Alkyl fluorides AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00299.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00299.txt index 257c09cd382..a8df2aad59f 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00299.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00299.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00299 -RECORD_TITLE: isoPFOS; LC-ESI-QQ; MS2; CE10eV +RECORD_TITLE: isoPFOS; LC-ESI-QQQ; MS2; CE10eV DATE: 2016.01.19 (Created 2012.06.12) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,7(21,22)23)2(10,11)3(12,13)4(14,15) CH$LINK: INCHIKEY NIKYAXWJPSOKTP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00300.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00300.txt index daf964d21cd..0270bb4ef7d 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00300.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00300.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00300 -RECORD_TITLE: isoPFOS; LC-ESI-QQ; MS2; CE20eV +RECORD_TITLE: isoPFOS; LC-ESI-QQQ; MS2; CE20eV DATE: 2016.01.19 (Created 2012.06.12) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,7(21,22)23)2(10,11)3(12,13)4(14,15) CH$LINK: INCHIKEY NIKYAXWJPSOKTP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00301.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00301.txt index f808dac0b64..681b0127f1c 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00301.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00301 -RECORD_TITLE: isoPFOS; LC-ESI-QQ; MS2; CE30eV +RECORD_TITLE: isoPFOS; LC-ESI-QQQ; MS2; CE30eV DATE: 2016.01.19 (Created 2012.06.12) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,7(21,22)23)2(10,11)3(12,13)4(14,15) CH$LINK: INCHIKEY NIKYAXWJPSOKTP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00302.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00302.txt index 76d3f5998b7..3ec38aebab7 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00302.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00302 -RECORD_TITLE: isoPFOS; LC-ESI-QQ; MS2; CE40eV +RECORD_TITLE: isoPFOS; LC-ESI-QQQ; MS2; CE40eV DATE: 2016.01.19 (Created 2012.06.12) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,7(21,22)23)2(10,11)3(12,13)4(14,15) CH$LINK: INCHIKEY NIKYAXWJPSOKTP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00303.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00303.txt index bf2e8ba2535..169a9441bfe 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00303.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00303 -RECORD_TITLE: isoPFOS; LC-ESI-QQ; MS2; CE50eV +RECORD_TITLE: isoPFOS; LC-ESI-QQQ; MS2; CE50eV DATE: 2016.01.19 (Created 2012.06.12) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,7(21,22)23)2(10,11)3(12,13)4(14,15) CH$LINK: INCHIKEY NIKYAXWJPSOKTP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00304.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00304.txt index 9009f271d78..c7e53324303 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00304.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00304 -RECORD_TITLE: isoPFOS; LC-ESI-QQ; MS2; CE60eV +RECORD_TITLE: isoPFOS; LC-ESI-QQQ; MS2; CE60eV DATE: 2016.01.19 (Created 2012.06.12) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,7(21,22)23)2(10,11)3(12,13)4(14,15) CH$LINK: INCHIKEY NIKYAXWJPSOKTP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00305.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00305.txt index 1449016c3b8..170507b841d 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00305.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00305 -RECORD_TITLE: 5mPFOS; LC-ESI-QQ; MS2; CE10eV +RECORD_TITLE: 5mPFOS; LC-ESI-QQQ; MS2; CE10eV DATE: 2016.01.19 (Created 2012.06.12) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,3(12,13)7(21,22)23)2(10,11)4(14,15) CH$LINK: INCHIKEY MLMPJIZPFXGYRO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00306.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00306.txt index 7a4d119ca25..048b51a3531 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00306.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00306.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00306 -RECORD_TITLE: 5mPFOS; LC-ESI-QQ; MS2; CE20eV +RECORD_TITLE: 5mPFOS; LC-ESI-QQQ; MS2; CE20eV DATE: 2016.01.19 (Created 2012.06.12) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,3(12,13)7(21,22)23)2(10,11)4(14,15) CH$LINK: INCHIKEY MLMPJIZPFXGYRO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00307.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00307.txt index e795ca14405..c962c92ce56 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00307.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00307 -RECORD_TITLE: 5mPFOS; LC-ESI-QQ; MS2; CE30eV +RECORD_TITLE: 5mPFOS; LC-ESI-QQQ; MS2; CE30eV DATE: 2016.01.19 (Created 2012.06.12) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,3(12,13)7(21,22)23)2(10,11)4(14,15) CH$LINK: INCHIKEY MLMPJIZPFXGYRO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00308.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00308.txt index 01366fdd9fc..e9229a19b16 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00308.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00308.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00308 -RECORD_TITLE: 5mPFOS; LC-ESI-QQ; MS2; CE40eV +RECORD_TITLE: 5mPFOS; LC-ESI-QQQ; MS2; CE40eV DATE: 2016.01.19 (Created 2012.06.12) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,3(12,13)7(21,22)23)2(10,11)4(14,15) CH$LINK: INCHIKEY MLMPJIZPFXGYRO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00309.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00309.txt index 8abf6631dc0..5e87e1e949c 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00309.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00309.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00309 -RECORD_TITLE: 5mPFOS; LC-ESI-QQ; MS2; 50eV +RECORD_TITLE: 5mPFOS; LC-ESI-QQQ; MS2; 50eV DATE: 2016.01.19 (Created 2012.06.12) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,3(12,13)7(21,22)23)2(10,11)4(14,15) CH$LINK: INCHIKEY MLMPJIZPFXGYRO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00310.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00310.txt index 2a1b0dfdb17..6b402da5ae5 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00310.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00310.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00310 -RECORD_TITLE: 5mPFOS; LC-ESI-QQ; MS2; 60eV +RECORD_TITLE: 5mPFOS; LC-ESI-QQQ; MS2; 60eV DATE: 2016.01.19 (Created 2012.06.12) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,3(12,13)7(21,22)23)2(10,11)4(14,15) CH$LINK: INCHIKEY MLMPJIZPFXGYRO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00311.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00311.txt index 8c2da119ab5..92e44b33aa4 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00311.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00311.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00311 -RECORD_TITLE: 4mPFOS; LC-ESI-QQ; MS2; CE10eV +RECORD_TITLE: 4mPFOS; LC-ESI-QQQ; MS2; CE10eV DATE: 2016.01.19 (Created 2012.06.12) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,2(10,11)4(14,15)7(21,22)23)3(12,13) CH$LINK: INCHIKEY MDEVHGNTMAPDQA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00312.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00312.txt index 26a825fd3f0..7f4af0960fd 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00312.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00312.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00312 -RECORD_TITLE: 4mPFOS; LC-ESI-QQ; MS2; CE20eV +RECORD_TITLE: 4mPFOS; LC-ESI-QQQ; MS2; CE20eV DATE: 2016.01.19 (Created 2012.06.12) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,2(10,11)4(14,15)7(21,22)23)3(12,13) CH$LINK: INCHIKEY MDEVHGNTMAPDQA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00313.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00313.txt index 3b4470b5c3f..ddc79e237a4 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00313.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00313.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00313 -RECORD_TITLE: 4mPFOS; LC-ESI-QQ; MS2; CE30eV +RECORD_TITLE: 4mPFOS; LC-ESI-QQQ; MS2; CE30eV DATE: 2016.01.19 (Created 2012.06.12) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,2(10,11)4(14,15)7(21,22)23)3(12,13) CH$LINK: INCHIKEY MDEVHGNTMAPDQA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00314.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00314.txt index fa31e909851..40f49647ec2 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00314.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00314.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00314 -RECORD_TITLE: 4mPFOS; LC-ESI-QQ; MS2; CE40eV +RECORD_TITLE: 4mPFOS; LC-ESI-QQQ; MS2; CE40eV DATE: 2016.01.19 (Created 2012.06.12) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,2(10,11)4(14,15)7(21,22)23)3(12,13) CH$LINK: INCHIKEY MDEVHGNTMAPDQA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00315.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00315.txt index 34b6070cd82..c186dc359d1 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00315.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00315.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00315 -RECORD_TITLE: 4mPFOS; LC-ESI-QQ; MS2; CE50eV +RECORD_TITLE: 4mPFOS; LC-ESI-QQQ; MS2; CE50eV DATE: 2016.01.19 (Created 2012.06.12) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,2(10,11)4(14,15)7(21,22)23)3(12,13) CH$LINK: INCHIKEY MDEVHGNTMAPDQA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00316.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00316.txt index 0c7e13f5f51..5e9a2156f00 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00316.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00316.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00316 -RECORD_TITLE: 4mPFOS; LC-ESI-QQ; MS2; CE60eV +RECORD_TITLE: 4mPFOS; LC-ESI-QQQ; MS2; CE60eV DATE: 2016.01.19 (Created 2012.06.12) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,2(10,11)4(14,15)7(21,22)23)3(12,13) CH$LINK: INCHIKEY MDEVHGNTMAPDQA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00317.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00317.txt index 4fb3fa8a70b..736ea12b761 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00317.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00317.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00317 -RECORD_TITLE: 3mPFOS; LC-ESI-QQ; MS2; CE10eV +RECORD_TITLE: 3mPFOS; LC-ESI-QQQ; MS2; CE10eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,3(12,13)8(24,25)29(26,27)28)2(10,11 CH$LINK: INCHIKEY CCEVPOURSCMDRL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00318.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00318.txt index 2cfa42afe2b..f8bd77fbb46 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00318.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00318.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00318 -RECORD_TITLE: 3mPFOS; LC-ESI-QQ; MS2; CE20eV +RECORD_TITLE: 3mPFOS; LC-ESI-QQQ; MS2; CE20eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,3(12,13)8(24,25)29(26,27)28)2(10,11 CH$LINK: INCHIKEY CCEVPOURSCMDRL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00319.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00319.txt index 23a29d0e67a..dc04fcff55c 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00319.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00319.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00319 -RECORD_TITLE: 3mPFOS; LC-ESI-QQ; MS2; CE30eV +RECORD_TITLE: 3mPFOS; LC-ESI-QQQ; MS2; CE30eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,3(12,13)8(24,25)29(26,27)28)2(10,11 CH$LINK: INCHIKEY CCEVPOURSCMDRL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00321.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00321.txt index 976eb2146b1..3079875f042 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00321.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00321.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00321 -RECORD_TITLE: 3mPFOS; LC-ESI-QQ; MS2; CE40eV +RECORD_TITLE: 3mPFOS; LC-ESI-QQQ; MS2; CE40eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,3(12,13)8(24,25)29(26,27)28)2(10,11 CH$LINK: INCHIKEY CCEVPOURSCMDRL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00322.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00322.txt index ec846864034..9fd6974f90d 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00322.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00322.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00322 -RECORD_TITLE: 3mPFOS; LC-ESI-QQ; MS2; CE50eV +RECORD_TITLE: 3mPFOS; LC-ESI-QQQ; MS2; CE50eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,3(12,13)8(24,25)29(26,27)28)2(10,11 CH$LINK: INCHIKEY CCEVPOURSCMDRL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00323.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00323.txt index cb8d67f7f7c..608487c3104 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00323.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00323.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00323 -RECORD_TITLE: 3mPFOS; LC-ESI-QQ; MS2; CE60eV +RECORD_TITLE: 3mPFOS; LC-ESI-QQQ; MS2; CE60eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,3(12,13)8(24,25)29(26,27)28)2(10,11 CH$LINK: INCHIKEY CCEVPOURSCMDRL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00324.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00324.txt index 5a44b69348e..0926339b98f 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00324.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00324.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00324 -RECORD_TITLE: 2mPFOS; LC-ESI-QQ; MS2; CE10eV +RECORD_TITLE: 2mPFOS; LC-ESI-QQQ; MS2; CE10eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,8(24,25)29(26,27)28)2(10,11)3(12,13 CH$LINK: INCHIKEY QNLVHHDMJVQEDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00325.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00325.txt index 5077de373b0..4b71b7d8c7a 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00325.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00325.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00325 -RECORD_TITLE: 2mPFOS; LC-ESI-QQ; MS2; CE20eV +RECORD_TITLE: 2mPFOS; LC-ESI-QQQ; MS2; CE20eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,8(24,25)29(26,27)28)2(10,11)3(12,13 CH$LINK: INCHIKEY QNLVHHDMJVQEDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00326.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00326.txt index ce032be4f1e..a3df404855d 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00326.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00326.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00326 -RECORD_TITLE: 2mPFOS; LC-ESI-QQ; MS2; CE30eV +RECORD_TITLE: 2mPFOS; LC-ESI-QQQ; MS2; CE30eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,8(24,25)29(26,27)28)2(10,11)3(12,13 CH$LINK: INCHIKEY QNLVHHDMJVQEDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00327.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00327.txt index 79574078764..7a4981d8828 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00327.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00327.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00327 -RECORD_TITLE: 2mPFOS; LC-ESI-QQ; MS2; CE40eV +RECORD_TITLE: 2mPFOS; LC-ESI-QQQ; MS2; CE40eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,8(24,25)29(26,27)28)2(10,11)3(12,13 CH$LINK: INCHIKEY QNLVHHDMJVQEDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00328.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00328.txt index 0eca4b6659b..e96b56dbf22 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00328.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00328.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00328 -RECORD_TITLE: 2mPFOS; LC-ESI-QQ; MS2; CE50eV +RECORD_TITLE: 2mPFOS; LC-ESI-QQQ; MS2; CE50eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,8(24,25)29(26,27)28)2(10,11)3(12,13 CH$LINK: INCHIKEY QNLVHHDMJVQEDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00329.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00329.txt index 381b177544e..e0a09e0d8ba 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00329.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00329.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00329 -RECORD_TITLE: 2mPFOS; LC-ESI-QQ; MS2; CE60eV +RECORD_TITLE: 2mPFOS; LC-ESI-QQQ; MS2; CE60eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-1(6(18,19)20,8(24,25)29(26,27)28)2(10,11)3(12,13 CH$LINK: INCHIKEY QNLVHHDMJVQEDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00330.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00330.txt index 856d61ec2b5..ea0c4583744 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00330.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00330.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00330 -RECORD_TITLE: 1mPFOS; LC-ESI-QQ; MS2; CE10eV +RECORD_TITLE: 1mPFOS; LC-ESI-QQQ; MS2; CE10eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY LYZNUCXUQHMFTA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30895921 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00331.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00331.txt index dffd9f68a3d..86693b93c86 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00331.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00331.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00331 -RECORD_TITLE: 1mPFOS; LC-ESI-QQ; MS2; CE20eV +RECORD_TITLE: 1mPFOS; LC-ESI-QQQ; MS2; CE20eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY LYZNUCXUQHMFTA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30895921 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00332.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00332.txt index 60045d4f67a..8a4554fefcb 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00332.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00332.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00332 -RECORD_TITLE: 1mPFOS; LC-ESI-QQ; MS2; CE30eV +RECORD_TITLE: 1mPFOS; LC-ESI-QQQ; MS2; CE30eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY LYZNUCXUQHMFTA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30895921 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00333.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00333.txt index afe14e05db7..3f51c59ae78 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00333.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00333.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00333 -RECORD_TITLE: 1mPFOS; LC-ESI-QQ; MS2; CE40eV +RECORD_TITLE: 1mPFOS; LC-ESI-QQQ; MS2; CE40eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY LYZNUCXUQHMFTA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30895921 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00334.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00334.txt index a5c911d0624..943e319e494 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00334.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00334.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00334 -RECORD_TITLE: 1mPFOS; LC-ESI-QQ; MS2; CE50eV +RECORD_TITLE: 1mPFOS; LC-ESI-QQQ; MS2; CE50eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY LYZNUCXUQHMFTA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30895921 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00335.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00335.txt index 9dbe5d90b9f..d2587408553 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00335.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00335.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00335 -RECORD_TITLE: 1mPFOS; LC-ESI-QQ; MS2; CE60eV +RECORD_TITLE: 1mPFOS; LC-ESI-QQQ; MS2; CE60eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY LYZNUCXUQHMFTA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30895921 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00336.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00336.txt index 870b19ad99e..f134a21cfe4 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00336.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00336.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00336 -RECORD_TITLE: 44m2PFOS; LC-ESI-QQ; MS2; CE10eV +RECORD_TITLE: 44m2PFOS; LC-ESI-QQQ; MS2; CE10eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-2(10,4(13,14)8(24,25)29(26,27)28)1(5(15,16)17,6( CH$LINK: INCHIKEY SIBWNSUYVDSFHF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00337.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00337.txt index 245e4dc9362..535b84c1606 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00337.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00337.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00337 -RECORD_TITLE: 44m2PFOS; LC-ESI-QQ; MS2; CE20eV +RECORD_TITLE: 44m2PFOS; LC-ESI-QQQ; MS2; CE20eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-2(10,4(13,14)8(24,25)29(26,27)28)1(5(15,16)17,6( CH$LINK: INCHIKEY SIBWNSUYVDSFHF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00338.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00338.txt index 22185cbd620..47e4821f1e8 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00338.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00338.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00338 -RECORD_TITLE: 44m2PFOS; LC-ESI-QQ; MS2; CE30eV +RECORD_TITLE: 44m2PFOS; LC-ESI-QQQ; MS2; CE30eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-2(10,4(13,14)8(24,25)29(26,27)28)1(5(15,16)17,6( CH$LINK: INCHIKEY SIBWNSUYVDSFHF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00339.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00339.txt index 94ed26c20ea..c1b8ba7fe6a 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00339.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00339.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00339 -RECORD_TITLE: 44m2PFOS; LC-ESI-QQ; MS2; CE40eV +RECORD_TITLE: 44m2PFOS; LC-ESI-QQQ; MS2; CE40eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-2(10,4(13,14)8(24,25)29(26,27)28)1(5(15,16)17,6( CH$LINK: INCHIKEY SIBWNSUYVDSFHF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00340.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00340.txt index 4adfe964d8e..db8c9d10bac 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00340.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00340.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00340 -RECORD_TITLE: 44m2PFOS; LC-ESI-QQ; MS2; CE50eV +RECORD_TITLE: 44m2PFOS; LC-ESI-QQQ; MS2; CE50eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-2(10,4(13,14)8(24,25)29(26,27)28)1(5(15,16)17,6( CH$LINK: INCHIKEY SIBWNSUYVDSFHF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00341.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00341.txt index cbf87fd92af..ddbd729dc09 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00341.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00341.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00341 -RECORD_TITLE: 44m2PFOS; LC-ESI-QQ; MS2; CE60eV +RECORD_TITLE: 44m2PFOS; LC-ESI-QQQ; MS2; CE60eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$IUPAC: InChI=1S/C8HF17O3S/c9-2(10,4(13,14)8(24,25)29(26,27)28)1(5(15,16)17,6( CH$LINK: INCHIKEY SIBWNSUYVDSFHF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00342.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00342.txt index 802f138f86e..92435b50226 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00342.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00342.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00342 -RECORD_TITLE: nPFOA; LC-ESI-QQ; MS2; CE10eV +RECORD_TITLE: nPFOA; LC-ESI-QQQ; MS2; CE10eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY SNGREZUHAYWORS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8031865 CH$LINK: ChemOnt CHEMONTID:0001027; Organic compounds; Organohalogen compounds; Alkyl halides; Alkyl fluorides AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00343.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00343.txt index 1a46f985f17..7d626f20201 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00343.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00343.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00343 -RECORD_TITLE: nPFOA; LC-ESI-QQ; MS2; CE20eV +RECORD_TITLE: nPFOA; LC-ESI-QQQ; MS2; CE20eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY SNGREZUHAYWORS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8031865 CH$LINK: ChemOnt CHEMONTID:0001027; Organic compounds; Organohalogen compounds; Alkyl halides; Alkyl fluorides AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00344.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00344.txt index 8ab8f98aadd..49d3f30bec1 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00344.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00344.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00344 -RECORD_TITLE: nPFOA; LC-ESI-QQ; MS2; CE30eV +RECORD_TITLE: nPFOA; LC-ESI-QQQ; MS2; CE30eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY SNGREZUHAYWORS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8031865 CH$LINK: ChemOnt CHEMONTID:0001027; Organic compounds; Organohalogen compounds; Alkyl halides; Alkyl fluorides AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00345.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00345.txt index b4d7978c2a9..58ad45eee4a 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00345.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00345.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00345 -RECORD_TITLE: nPFOA; LC-ESI-QQ; MS2; CE40eV +RECORD_TITLE: nPFOA; LC-ESI-QQQ; MS2; CE40eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY SNGREZUHAYWORS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8031865 CH$LINK: ChemOnt CHEMONTID:0001027; Organic compounds; Organohalogen compounds; Alkyl halides; Alkyl fluorides AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00346.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00346.txt index 0f06e57eed2..f886319193c 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00346.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00346.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00346 -RECORD_TITLE: nPFOA; LC-ESI-QQ; MS2; CE50eV +RECORD_TITLE: nPFOA; LC-ESI-QQQ; MS2; CE50eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY SNGREZUHAYWORS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8031865 CH$LINK: ChemOnt CHEMONTID:0001027; Organic compounds; Organohalogen compounds; Alkyl halides; Alkyl fluorides AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00347.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00347.txt index ec53003bb28..5a37479064b 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00347.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00347.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00347 -RECORD_TITLE: isoPFOA; LC-ESI-QQ; MS2; CE10eV +RECORD_TITLE: isoPFOA; LC-ESI-QQQ; MS2; CE10eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY KPBOPOXIOBBZTR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50562865 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00348.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00348.txt index f8c5b064b6e..d4579a6d06c 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00348.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00348.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00348 -RECORD_TITLE: isoPFOA; LC-ESI-QQ; MS2; CE20eV +RECORD_TITLE: isoPFOA; LC-ESI-QQQ; MS2; CE20eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY KPBOPOXIOBBZTR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50562865 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00349.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00349.txt index 71353b854d2..a7efba45d96 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00349.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00349.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00349 -RECORD_TITLE: isoPFOA; LC-ESI-QQ; MS2; CE30eV +RECORD_TITLE: isoPFOA; LC-ESI-QQQ; MS2; CE30eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY KPBOPOXIOBBZTR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50562865 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00350.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00350.txt index 9d286fa9140..09400049d6c 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00350.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00350.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00350 -RECORD_TITLE: isoPFOA; LC-ESI-QQ; MS2; CE40eV +RECORD_TITLE: isoPFOA; LC-ESI-QQQ; MS2; CE40eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY KPBOPOXIOBBZTR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50562865 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00351.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00351.txt index 2de89c06102..b8c27d09683 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00351.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00351.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00351 -RECORD_TITLE: isoPFOA; LC-ESI-QQ; MS2; CE50eV +RECORD_TITLE: isoPFOA; LC-ESI-QQQ; MS2; CE50eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY KPBOPOXIOBBZTR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50562865 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00352.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00352.txt index 3efd0b7dc71..7b8e19e5cf9 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00352.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00352.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00352 -RECORD_TITLE: 5mPFOA; LC-ESI-QQ; MS2; CE10eV +RECORD_TITLE: 5mPFOA; LC-ESI-QQQ; MS2; CE10eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY HDWNCRCOUUAYQG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50896596 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00353.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00353.txt index 03a5a7f1ae6..f24475949ae 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00353.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00353.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00353 -RECORD_TITLE: 5mPFOA; LC-ESI-QQ; MS2; CE20eV +RECORD_TITLE: 5mPFOA; LC-ESI-QQQ; MS2; CE20eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY HDWNCRCOUUAYQG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50896596 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00354.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00354.txt index 9d872c45783..92c6fbc0565 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00354.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00354.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00354 -RECORD_TITLE: 5mPFOA; LC-ESI-QQ; MS2; CE30eV +RECORD_TITLE: 5mPFOA; LC-ESI-QQQ; MS2; CE30eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY HDWNCRCOUUAYQG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50896596 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00355.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00355.txt index 5882a8fa533..d71411818fb 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00355.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00355.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00355 -RECORD_TITLE: 5mPFOA; LC-ESI-QQ; MS2; CE40eV +RECORD_TITLE: 5mPFOA; LC-ESI-QQQ; MS2; CE40eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY HDWNCRCOUUAYQG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50896596 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00356.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00356.txt index 725b51884b4..3968eb1f797 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00356.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00356.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00356 -RECORD_TITLE: 5mPFOA; LC-ESI-QQ; MS2; CE50eV +RECORD_TITLE: 5mPFOA; LC-ESI-QQQ; MS2; CE50eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY HDWNCRCOUUAYQG-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50896596 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00357.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00357.txt index c5c3fa3326c..fbd530d2473 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00357.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00357.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00357 -RECORD_TITLE: 4mPFOA; LC-ESI-QQ; MS2; CE10eV +RECORD_TITLE: 4mPFOA; LC-ESI-QQQ; MS2; CE10eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY RGXLMLZPWKONOH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10896597 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00358.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00358.txt index 1e5aa22dec9..5b4bafc6082 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00358.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00358.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00358 -RECORD_TITLE: 4mPFOA; LC-ESI-QQ; MS2; CE20eV +RECORD_TITLE: 4mPFOA; LC-ESI-QQQ; MS2; CE20eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY RGXLMLZPWKONOH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10896597 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00359.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00359.txt index 13d9aa5288e..3db2e95cd24 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00359.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00359.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00359 -RECORD_TITLE: 4mPFOA; LC-ESI-QQ; MS2; CE30eV +RECORD_TITLE: 4mPFOA; LC-ESI-QQQ; MS2; CE30eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY RGXLMLZPWKONOH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10896597 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00360.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00360.txt index b883aa02343..3f18b281320 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00360.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00360.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00360 -RECORD_TITLE: 4mPFOA; LC-ESI-QQ; MS2; CE40eV +RECORD_TITLE: 4mPFOA; LC-ESI-QQQ; MS2; CE40eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY RGXLMLZPWKONOH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10896597 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00361.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00361.txt index 51f1f5108cc..d9f9b5cc3db 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00361.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00361.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00361 -RECORD_TITLE: 4mPFOA; LC-ESI-QQ; MS2; CE50eV +RECORD_TITLE: 4mPFOA; LC-ESI-QQQ; MS2; CE50eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY RGXLMLZPWKONOH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10896597 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00362.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00362.txt index fdb628b158d..0861992488d 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00362.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00362.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00362 -RECORD_TITLE: 3mPFOA; LC-ESI-QQ; MS2; CE10eV +RECORD_TITLE: 3mPFOA; LC-ESI-QQQ; MS2; CE10eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY FUGOJSZHPNUCLK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90896595 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00363.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00363.txt index 1f1a94736a6..6d41790f580 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00363.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00363.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00363 -RECORD_TITLE: 3mPFOA; LC-ESI-QQ; MS2; CE20eV +RECORD_TITLE: 3mPFOA; LC-ESI-QQQ; MS2; CE20eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY FUGOJSZHPNUCLK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90896595 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00364.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00364.txt index 644c868f3a1..b7b5eed3da8 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00364.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00364.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00364 -RECORD_TITLE: 3mPFOA; LC-ESI-QQ; MS2; CE30eV +RECORD_TITLE: 3mPFOA; LC-ESI-QQQ; MS2; CE30eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY FUGOJSZHPNUCLK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90896595 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00365.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00365.txt index bb2d33e1df5..05fc8ffe13f 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00365.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00365.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00365 -RECORD_TITLE: 3mPFOA; LC-ESI-QQ; MS2; CE40eV +RECORD_TITLE: 3mPFOA; LC-ESI-QQQ; MS2; CE40eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY FUGOJSZHPNUCLK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90896595 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00366.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00366.txt index 93b4640e9fb..201552d49c3 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00366.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00366.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00366 -RECORD_TITLE: 44m2PFOA; LC-ESI-QQ; MS2; CE10eV +RECORD_TITLE: 44m2PFOA; LC-ESI-QQQ; MS2; CE10eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY UDFRHYDOIIBODA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40896601 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00367.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00367.txt index 38d4f76ba6c..da39abd8079 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00367.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00367.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00367 -RECORD_TITLE: 44m2PFOA; LC-ESI-QQ; MS2; CE20eV +RECORD_TITLE: 44m2PFOA; LC-ESI-QQQ; MS2; CE20eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY UDFRHYDOIIBODA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40896601 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00368.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00368.txt index 2d96355c405..fab7b9a4314 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00368.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00368.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00368 -RECORD_TITLE: 44m2PFOA; LC-ESI-QQ; MS2; CE30eV +RECORD_TITLE: 44m2PFOA; LC-ESI-QQQ; MS2; CE30eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY UDFRHYDOIIBODA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40896601 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00369.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00369.txt index 8ae83529db9..c1fc65f23d1 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00369.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00369.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00369 -RECORD_TITLE: 44m2PFOA; LC-ESI-QQ; MS2; CE40eV +RECORD_TITLE: 44m2PFOA; LC-ESI-QQQ; MS2; CE40eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY UDFRHYDOIIBODA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40896601 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00370.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00370.txt index e7b6a0b967d..d8366a75742 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00370.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00370.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00370 -RECORD_TITLE: 55m2PFOA; LC-ESI-QQ; MS2; CE10eV +RECORD_TITLE: 55m2PFOA; LC-ESI-QQQ; MS2; CE10eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY GTHPUDUCLLCPLT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70896598 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00371.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00371.txt index bc7d558845a..1e2d777d756 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00371.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00371.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00371 -RECORD_TITLE: 55m2PFOA; LC-ESI-QQ; MS2; CE30eV +RECORD_TITLE: 55m2PFOA; LC-ESI-QQQ; MS2; CE30eV DATE: 2016.01.19 (Created 2012.06.13) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY GTHPUDUCLLCPLT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID70896598 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30eV diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00372.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00372.txt index af3423de080..6bb88a537e8 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00372.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00372.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00372 -RECORD_TITLE: 33FTA; LC-ESI-QQ; MS +RECORD_TITLE: 33FTA; LC-ESI-QQQ; MS DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ISFKSWMQWIRDNC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00379268 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_GAS Ar diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00373.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00373.txt index f0ec869a5da..c23b4c413fd 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00373.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00373.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00373 -RECORD_TITLE: 33FTA; LC-ESI-QQ; MS2; CE10; [M-H]- +RECORD_TITLE: 33FTA; LC-ESI-QQQ; MS2; CE10; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ISFKSWMQWIRDNC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00379268 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00374.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00374.txt index bf00c7f7e68..4c578d29723 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00374.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00374.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00374 -RECORD_TITLE: 33FTA; LC-ESI-QQ; MS2; CE20; [M-H]- +RECORD_TITLE: 33FTA; LC-ESI-QQQ; MS2; CE20; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ISFKSWMQWIRDNC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00379268 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00375.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00375.txt index ada264cff84..c52cbe3883e 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00375.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00375.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00375 -RECORD_TITLE: 33FTA; LC-ESI-QQ; MS2; CE30; [M-H]- +RECORD_TITLE: 33FTA; LC-ESI-QQQ; MS2; CE30; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ISFKSWMQWIRDNC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00379268 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00376.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00376.txt index 0f8488c125e..b47c4dbadad 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00376.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00376.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00376 -RECORD_TITLE: 33FTA; LC-ESI-QQ; MS2; CE40; [M-H]- +RECORD_TITLE: 33FTA; LC-ESI-QQQ; MS2; CE40; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ISFKSWMQWIRDNC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00379268 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00377.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00377.txt index 2c76c52e060..c1c76d56af3 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00377.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00377.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00377 -RECORD_TITLE: 33FTA; LC-ESI-QQ; MS2; CE50; [M-H]- +RECORD_TITLE: 33FTA; LC-ESI-QQQ; MS2; CE50; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ISFKSWMQWIRDNC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00379268 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00378.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00378.txt index d0303ef9e99..fb0f83543f0 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00378.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00378.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00378 -RECORD_TITLE: 33FTA; LC-ESI-QQ; MS2; CE60; [M-H]- +RECORD_TITLE: 33FTA; LC-ESI-QQQ; MS2; CE60; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ISFKSWMQWIRDNC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00379268 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00379.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00379.txt index 0bf33c075ed..f7e48f39359 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00379.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00379.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00379 -RECORD_TITLE: 53FTA; LC-ESI-QQ; MS +RECORD_TITLE: 53FTA; LC-ESI-QQQ; MS DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ABFCFCPCGMHSRX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20874028 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_GAS Ar diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00380.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00380.txt index ecb029c393b..7884dfd4597 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00380.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00380.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00380 -RECORD_TITLE: 53FTA; LC-ESI-QQ; MS2; CE10; [M-H]- +RECORD_TITLE: 53FTA; LC-ESI-QQQ; MS2; CE10; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ABFCFCPCGMHSRX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20874028 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00381.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00381.txt index 5add8175ce1..638f78deed1 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00381.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00381.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00381 -RECORD_TITLE: 53FTA; LC-ESI-QQ; MS2; CE20; [M-H]- +RECORD_TITLE: 53FTA; LC-ESI-QQQ; MS2; CE20; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ABFCFCPCGMHSRX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20874028 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00382.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00382.txt index f68988c8ba3..4e380e522f1 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00382.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00382.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00382 -RECORD_TITLE: 53FTA; LC-ESI-QQ; MS2; CE30; [M-H]- +RECORD_TITLE: 53FTA; LC-ESI-QQQ; MS2; CE30; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ABFCFCPCGMHSRX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20874028 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00383.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00383.txt index bb20d813571..1dc35393405 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00383.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00383.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00383 -RECORD_TITLE: 53FTA; LC-ESI-QQ; MS2; CE40; [M-H]- +RECORD_TITLE: 53FTA; LC-ESI-QQQ; MS2; CE40; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ABFCFCPCGMHSRX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20874028 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00384.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00384.txt index ebb633bd759..c61dfc46aa5 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00384.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00384.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00384 -RECORD_TITLE: 53FTA; LC-ESI-QQ; MS2; CE50; [M-H]- +RECORD_TITLE: 53FTA; LC-ESI-QQQ; MS2; CE50; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ABFCFCPCGMHSRX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20874028 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00385.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00385.txt index eaa178ac1cd..535a657fd40 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00385.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00385.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00385 -RECORD_TITLE: 53FTA; LC-ESI-QQ; MS2; CE60; [M-H]- +RECORD_TITLE: 53FTA; LC-ESI-QQQ; MS2; CE60; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY ABFCFCPCGMHSRX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID20874028 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00386.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00386.txt index 26220528504..740fa2d81b7 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00386.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00386.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00386 -RECORD_TITLE: 73FTA; LC-ESI-QQ; MS +RECORD_TITLE: 73FTA; LC-ESI-QQQ; MS DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HLBRGVKRZQSQHB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90382620 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_GAS Ar diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00387.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00387.txt index ef94fc30d72..43c20aa11a0 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00387.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00387.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00387 -RECORD_TITLE: 73FTA; LC-ESI-QQ; MS2; CE10; [M-H]- +RECORD_TITLE: 73FTA; LC-ESI-QQQ; MS2; CE10; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HLBRGVKRZQSQHB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90382620 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00388.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00388.txt index 42bf280493a..2495fed031e 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00388.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00388.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00388 -RECORD_TITLE: 73FTA; LC-ESI-QQ; MS2; CE20; [M-H]- +RECORD_TITLE: 73FTA; LC-ESI-QQQ; MS2; CE20; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HLBRGVKRZQSQHB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90382620 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00389.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00389.txt index 949d92afe3a..d9748e381e1 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00389.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00389.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00389 -RECORD_TITLE: 73FTA; LC-ESI-QQ; MS2; CE30; [M-H]- +RECORD_TITLE: 73FTA; LC-ESI-QQQ; MS2; CE30; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HLBRGVKRZQSQHB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90382620 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00390.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00390.txt index 32e8395a2d5..2e38b59bc14 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00390.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00390.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00390 -RECORD_TITLE: 73FTA; LC-ESI-QQ; MS2; CE40; [M-H]- +RECORD_TITLE: 73FTA; LC-ESI-QQQ; MS2; CE40; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HLBRGVKRZQSQHB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90382620 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00391.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00391.txt index 0a5a6227364..5611027994c 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00391.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00391.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00391 -RECORD_TITLE: 73FTA; LC-ESI-QQ; MS2; CE50; [M-H]- +RECORD_TITLE: 73FTA; LC-ESI-QQQ; MS2; CE50; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HLBRGVKRZQSQHB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90382620 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00392.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00392.txt index c3b28c46ab4..ff9bb7cb730 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00392.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00392.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00392 -RECORD_TITLE: 73FTA; LC-ESI-QQ; MS2; CE60; [M-H]- +RECORD_TITLE: 73FTA; LC-ESI-QQQ; MS2; CE60; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY HLBRGVKRZQSQHB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90382620 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00393.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00393.txt index 9cb30ae8ae2..eceefa3c299 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00393.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00393.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00393 -RECORD_TITLE: 62FTA; LC-ESI-QQ; MS +RECORD_TITLE: 62FTA; LC-ESI-QQQ; MS DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LRWIIEJPCFNNCZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50472556 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_GAS Ar diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00394.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00394.txt index be80275d12f..a4ef66c94e1 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00394.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00394.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00394 -RECORD_TITLE: 62FTA; LC-ESI-QQ; MS2; CE10; [M-H]- +RECORD_TITLE: 62FTA; LC-ESI-QQQ; MS2; CE10; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LRWIIEJPCFNNCZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50472556 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00395.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00395.txt index 12d91811200..719db135254 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00395.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00395.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00395 -RECORD_TITLE: 62FTA; LC-ESI-QQ; MS2; CE20; [M-H]- +RECORD_TITLE: 62FTA; LC-ESI-QQQ; MS2; CE20; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LRWIIEJPCFNNCZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50472556 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00396.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00396.txt index 4272ba79605..2fb5db4d153 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00396.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00396.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00396 -RECORD_TITLE: 62FTA; LC-ESI-QQ; MS2; CE30; [M-H]- +RECORD_TITLE: 62FTA; LC-ESI-QQQ; MS2; CE30; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LRWIIEJPCFNNCZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50472556 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00397.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00397.txt index 937a2e992a5..7c49b594504 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00397.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00397.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00397 -RECORD_TITLE: 62FTA; LC-ESI-QQ; MS2; CE40; [M-H]- +RECORD_TITLE: 62FTA; LC-ESI-QQQ; MS2; CE40; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LRWIIEJPCFNNCZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50472556 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00398.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00398.txt index ad95d5268cf..a92ae75dd97 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00398.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00398.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00398 -RECORD_TITLE: 62FTA; LC-ESI-QQ; MS2; CE50; [M-H]- +RECORD_TITLE: 62FTA; LC-ESI-QQQ; MS2; CE50; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LRWIIEJPCFNNCZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50472556 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00399.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00399.txt index b5ec3e70420..e3510fb6498 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00399.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00399.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00399 -RECORD_TITLE: 62FTA; LC-ESI-QQ; MS2; CE60; [M-H]- +RECORD_TITLE: 62FTA; LC-ESI-QQQ; MS2; CE60; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LRWIIEJPCFNNCZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50472556 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00400.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00400.txt index 7f48ffdcb10..173d731b089 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00400.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00400.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00400 -RECORD_TITLE: 62FTA; LC-ESI-QQ; MS2; CE10; [M-H-CO2-2HF]- +RECORD_TITLE: 62FTA; LC-ESI-QQQ; MS2; CE10; [M-H-CO2-2HF]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LRWIIEJPCFNNCZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50472556 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00401.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00401.txt index 36420599625..8409632e3ae 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00401.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00401 -RECORD_TITLE: 62FTA; LC-ESI-QQ; MS2; CE20; [M-H-CO2-2HF]- +RECORD_TITLE: 62FTA; LC-ESI-QQQ; MS2; CE20; [M-H-CO2-2HF]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LRWIIEJPCFNNCZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50472556 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00402.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00402.txt index f84fc2e72c8..47b97f96395 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00402.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00402 -RECORD_TITLE: 62FTA; LC-ESI-QQ; MS2; CE30; [M-H-CO2-2HF]- +RECORD_TITLE: 62FTA; LC-ESI-QQQ; MS2; CE30; [M-H-CO2-2HF]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LRWIIEJPCFNNCZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50472556 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00403.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00403.txt index d489dabf24d..8ad771ac2f3 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00403.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00403 -RECORD_TITLE: 62FTA; LC-ESI-QQ; MS2; CE40; [M-H-CO2-2HF]- +RECORD_TITLE: 62FTA; LC-ESI-QQQ; MS2; CE40; [M-H-CO2-2HF]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LRWIIEJPCFNNCZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50472556 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00404.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00404.txt index 9d503a3df09..4e0e929b757 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00404.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00404 -RECORD_TITLE: 62FTA; LC-ESI-QQ; MS2; CE50; [M-H-CO2-2HF]- +RECORD_TITLE: 62FTA; LC-ESI-QQQ; MS2; CE50; [M-H-CO2-2HF]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LRWIIEJPCFNNCZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50472556 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00405.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00405.txt index c900253ef7d..9d2eef9b5b7 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00405.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00405 -RECORD_TITLE: 62FTA; LC-ESI-QQ; MS2; CE60; [M-H-CO2-2HF]- +RECORD_TITLE: 62FTA; LC-ESI-QQQ; MS2; CE60; [M-H-CO2-2HF]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY LRWIIEJPCFNNCZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50472556 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00406.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00406.txt index 7e36c5a28fd..4ab455842c5 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00406.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00406.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00406 -RECORD_TITLE: 82FTA; LC-ESI-QQ; MS +RECORD_TITLE: 82FTA; LC-ESI-QQQ; MS DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XTBXSCIWOVSSGB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50451109 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_GAS Ar diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00407.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00407.txt index c3ac06d6595..2c95ae5285a 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00407.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00407 -RECORD_TITLE: 82FTA; LC-ESI-QQ; MS2; CE10; [M-H]- +RECORD_TITLE: 82FTA; LC-ESI-QQQ; MS2; CE10; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XTBXSCIWOVSSGB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50451109 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00408.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00408.txt index 54250728a99..4c2b07b1e9e 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00408.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00408 -RECORD_TITLE: 82FTA; LC-ESI-QQ; MS2; CE20; [M-H]- +RECORD_TITLE: 82FTA; LC-ESI-QQQ; MS2; CE20; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XTBXSCIWOVSSGB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50451109 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00409.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00409.txt index d15bbe3dc10..c055ec2e315 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00409.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00409 -RECORD_TITLE: 82FTA; LC-ESI-QQ; MS2; CE30; [M-H]- +RECORD_TITLE: 82FTA; LC-ESI-QQQ; MS2; CE30; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XTBXSCIWOVSSGB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50451109 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00410.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00410.txt index 2b75b2cb8de..f313db7d769 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00410.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00410.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00410 -RECORD_TITLE: 82FTA; LC-ESI-QQ; MS2; CE40; [M-H]- +RECORD_TITLE: 82FTA; LC-ESI-QQQ; MS2; CE40; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XTBXSCIWOVSSGB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50451109 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00411.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00411.txt index c35232c86d2..3acb99e752d 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00411.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00411.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00411 -RECORD_TITLE: 82FTA; LC-ESI-QQ; MS2; CE50; [M-H]- +RECORD_TITLE: 82FTA; LC-ESI-QQQ; MS2; CE50; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XTBXSCIWOVSSGB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50451109 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00412.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00412.txt index 52b9a8a7234..b9a923f9fd6 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00412.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00412.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00412 -RECORD_TITLE: 82FTA; LC-ESI-QQ; MS2; CE60; [M-H]- +RECORD_TITLE: 82FTA; LC-ESI-QQQ; MS2; CE60; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY XTBXSCIWOVSSGB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50451109 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00413.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00413.txt index f59ed13df54..ab2621cd291 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00413.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00413.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00413 -RECORD_TITLE: 102FTA; LC-ESI-QQ; MS +RECORD_TITLE: 102FTA; LC-ESI-QQQ; MS DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IKHNVATUHWDNGI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40892325 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_GAS Ar diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00414.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00414.txt index 3fdf53b08b0..2bf70a6b090 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00414.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00414.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00414 -RECORD_TITLE: 102FTA; LC-ESI-QQ; MS2; CE10; [M-H]- +RECORD_TITLE: 102FTA; LC-ESI-QQQ; MS2; CE10; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IKHNVATUHWDNGI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40892325 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00415.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00415.txt index 9289d097816..8a4d2cb25a0 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00415.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00415.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00415 -RECORD_TITLE: 102FTA; LC-ESI-QQ; MS2; CE20; [M-H]- +RECORD_TITLE: 102FTA; LC-ESI-QQQ; MS2; CE20; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IKHNVATUHWDNGI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40892325 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00416.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00416.txt index a636a5af543..d5893b11e80 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00416.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00416.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00416 -RECORD_TITLE: 102FTA; LC-ESI-QQ; MS2; CE30; [M-H]- +RECORD_TITLE: 102FTA; LC-ESI-QQQ; MS2; CE30; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IKHNVATUHWDNGI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40892325 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00417.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00417.txt index 359fff7b6dd..874c213d728 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00417.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00417.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00417 -RECORD_TITLE: 102FTA; LC-ESI-QQ; MS2; CE40; [M-H]- +RECORD_TITLE: 102FTA; LC-ESI-QQQ; MS2; CE40; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IKHNVATUHWDNGI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40892325 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00418.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00418.txt index 17003f2b89a..0610fddd17e 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00418.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00418.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00418 -RECORD_TITLE: 102FTA; LC-ESI-QQ; MS2; CE50; [M-H]- +RECORD_TITLE: 102FTA; LC-ESI-QQQ; MS2; CE50; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IKHNVATUHWDNGI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40892325 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 diff --git a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00419.txt b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00419.txt index df4a9af3816..6d060d0341d 100644 --- a/PFOS_research_group/MSBNK-PFOS_research_group-FFF00419.txt +++ b/PFOS_research_group/MSBNK-PFOS_research_group-FFF00419.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-PFOS_research_group-FFF00419 -RECORD_TITLE: 102FTA; LC-ESI-QQ; MS2; CE60; [M-H]- +RECORD_TITLE: 102FTA; LC-ESI-QQQ; MS2; CE60; [M-H]- DATE: 2016.01.19 (Created 2013.01.25) AUTHORS: Atsushi Yamamoto LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY IKHNVATUHWDNGI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40892325 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: Xevo TQ MS (Waters) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 diff --git a/RIKEN/MSBNK-RIKEN-PR020086.txt b/RIKEN/MSBNK-RIKEN-PR020086.txt index 1b164363337..09f467457f8 100644 --- a/RIKEN/MSBNK-RIKEN-PR020086.txt +++ b/RIKEN/MSBNK-RIKEN-PR020086.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020086 -RECORD_TITLE: trans-Zeatin; LC-ESI-QQ; MS2; CE:10.0 eV; [M+H]+ +RECORD_TITLE: trans-Zeatin; LC-ESI-QQQ; MS2; CE:10.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020087.txt b/RIKEN/MSBNK-RIKEN-PR020087.txt index 33b90c91223..01df6aa1616 100644 --- a/RIKEN/MSBNK-RIKEN-PR020087.txt +++ b/RIKEN/MSBNK-RIKEN-PR020087.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020087 -RECORD_TITLE: trans-Zeatin; LC-ESI-QQ; MS2; CE:20.0 eV; [M+H]+ +RECORD_TITLE: trans-Zeatin; LC-ESI-QQQ; MS2; CE:20.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020088.txt b/RIKEN/MSBNK-RIKEN-PR020088.txt index 769b4ad0592..0efe61d9e24 100644 --- a/RIKEN/MSBNK-RIKEN-PR020088.txt +++ b/RIKEN/MSBNK-RIKEN-PR020088.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020088 -RECORD_TITLE: trans-Zeatin; LC-ESI-QQ; MS2; CE:30.0 eV; [M+H]+ +RECORD_TITLE: trans-Zeatin; LC-ESI-QQQ; MS2; CE:30.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY UZKQTCBAMSWPJD-FARCUNLSSA-N CH$LINK: COMPTOX DTXSID9040631 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020089.txt b/RIKEN/MSBNK-RIKEN-PR020089.txt index 1ea95038d98..a677a0cd67a 100644 --- a/RIKEN/MSBNK-RIKEN-PR020089.txt +++ b/RIKEN/MSBNK-RIKEN-PR020089.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020089 -RECORD_TITLE: cis-Zeatin; LC-ESI-QQ; MS2; CE:10.0 eV; [M+H]+ +RECORD_TITLE: cis-Zeatin; LC-ESI-QQQ; MS2; CE:10.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:688597 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-UQCOIBPSSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020090.txt b/RIKEN/MSBNK-RIKEN-PR020090.txt index f38777b47c0..b9109210650 100644 --- a/RIKEN/MSBNK-RIKEN-PR020090.txt +++ b/RIKEN/MSBNK-RIKEN-PR020090.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020090 -RECORD_TITLE: cis-Zeatin; LC-ESI-QQ; MS2; CE:20.0 eV; [M+H]+ +RECORD_TITLE: cis-Zeatin; LC-ESI-QQQ; MS2; CE:20.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:688597 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-UQCOIBPSSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020091.txt b/RIKEN/MSBNK-RIKEN-PR020091.txt index 52afe5688b6..6caff5858ed 100644 --- a/RIKEN/MSBNK-RIKEN-PR020091.txt +++ b/RIKEN/MSBNK-RIKEN-PR020091.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020091 -RECORD_TITLE: cis-Zeatin; LC-ESI-QQ; MS2; CE:30.0 eV; [M+H]+ +RECORD_TITLE: cis-Zeatin; LC-ESI-QQQ; MS2; CE:30.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:688597 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-UQCOIBPSSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020092.txt b/RIKEN/MSBNK-RIKEN-PR020092.txt index ad92f4a2a7a..187cc6913fb 100644 --- a/RIKEN/MSBNK-RIKEN-PR020092.txt +++ b/RIKEN/MSBNK-RIKEN-PR020092.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020092 -RECORD_TITLE: trans-Zeatin riboside; LC-ESI-QQ; MS2; CE:10.0 eV; [M+H]+ +RECORD_TITLE: trans-Zeatin riboside; LC-ESI-QQQ; MS2; CE:10.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:6440982 CH$LINK: INCHIKEY GOSWTRUMMSCNCW-HNNGNKQASA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020093.txt b/RIKEN/MSBNK-RIKEN-PR020093.txt index 6bd44bb3ffd..5686fec03c2 100644 --- a/RIKEN/MSBNK-RIKEN-PR020093.txt +++ b/RIKEN/MSBNK-RIKEN-PR020093.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020093 -RECORD_TITLE: trans-Zeatin riboside; LC-ESI-QQ; MS2; CE:20.0 eV; [M+H]+ +RECORD_TITLE: trans-Zeatin riboside; LC-ESI-QQQ; MS2; CE:20.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:6440982 CH$LINK: INCHIKEY GOSWTRUMMSCNCW-HNNGNKQASA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020094.txt b/RIKEN/MSBNK-RIKEN-PR020094.txt index f0fa85412bc..56826ca1bb6 100644 --- a/RIKEN/MSBNK-RIKEN-PR020094.txt +++ b/RIKEN/MSBNK-RIKEN-PR020094.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020094 -RECORD_TITLE: trans-Zeatin riboside; LC-ESI-QQ; MS2; CE:30.0 eV; [M+H]+ +RECORD_TITLE: trans-Zeatin riboside; LC-ESI-QQQ; MS2; CE:30.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:6440982 CH$LINK: INCHIKEY GOSWTRUMMSCNCW-HNNGNKQASA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020095.txt b/RIKEN/MSBNK-RIKEN-PR020095.txt index a01fddd238b..cd3cc21392a 100644 --- a/RIKEN/MSBNK-RIKEN-PR020095.txt +++ b/RIKEN/MSBNK-RIKEN-PR020095.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020095 -RECORD_TITLE: trans-Zeatin riboside; LC-ESI-QQ; MS2; CE:40.0 eV; [M+H]+ +RECORD_TITLE: trans-Zeatin riboside; LC-ESI-QQQ; MS2; CE:40.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:6440982 CH$LINK: INCHIKEY GOSWTRUMMSCNCW-HNNGNKQASA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020096.txt b/RIKEN/MSBNK-RIKEN-PR020096.txt index 55cd44e5716..1c9314bb034 100644 --- a/RIKEN/MSBNK-RIKEN-PR020096.txt +++ b/RIKEN/MSBNK-RIKEN-PR020096.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020096 -RECORD_TITLE: cis-Zeatin riboside; LC-ESI-QQ; MS2; CE:10.0 eV; [M+H]+ +RECORD_TITLE: cis-Zeatin riboside; LC-ESI-QQQ; MS2; CE:10.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$LINK: NIKKAJI J486.816A CH$LINK: INCHIKEY GOSWTRUMMSCNCW-BAJUWZQUSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020097.txt b/RIKEN/MSBNK-RIKEN-PR020097.txt index 5725f371787..2c1b5c25444 100644 --- a/RIKEN/MSBNK-RIKEN-PR020097.txt +++ b/RIKEN/MSBNK-RIKEN-PR020097.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020097 -RECORD_TITLE: cis-Zeatin riboside; LC-ESI-QQ; MS2; CE:20.0 eV; [M+H]+ +RECORD_TITLE: cis-Zeatin riboside; LC-ESI-QQQ; MS2; CE:20.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$LINK: NIKKAJI J486.816A CH$LINK: INCHIKEY GOSWTRUMMSCNCW-BAJUWZQUSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020098.txt b/RIKEN/MSBNK-RIKEN-PR020098.txt index 9a996e03ab4..7fc6ffe7cc0 100644 --- a/RIKEN/MSBNK-RIKEN-PR020098.txt +++ b/RIKEN/MSBNK-RIKEN-PR020098.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020098 -RECORD_TITLE: cis-Zeatin riboside; LC-ESI-QQ; MS2; CE:30.0 eV; [M+H]+ +RECORD_TITLE: cis-Zeatin riboside; LC-ESI-QQQ; MS2; CE:30.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$LINK: NIKKAJI J486.816A CH$LINK: INCHIKEY GOSWTRUMMSCNCW-BAJUWZQUSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020099.txt b/RIKEN/MSBNK-RIKEN-PR020099.txt index fb5342bd61b..a40a6ca529d 100644 --- a/RIKEN/MSBNK-RIKEN-PR020099.txt +++ b/RIKEN/MSBNK-RIKEN-PR020099.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020099 -RECORD_TITLE: Dihydrozeatin; LC-ESI-QQ; MS2; CE:10.0 eV; [M+H]+ +RECORD_TITLE: Dihydrozeatin; LC-ESI-QQQ; MS2; CE:10.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY XXFACTAYGKKOQB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90933510 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020100.txt b/RIKEN/MSBNK-RIKEN-PR020100.txt index f84980468e4..c143d3842d1 100644 --- a/RIKEN/MSBNK-RIKEN-PR020100.txt +++ b/RIKEN/MSBNK-RIKEN-PR020100.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020100 -RECORD_TITLE: Dihydrozeatin; LC-ESI-QQ; MS2; CE:20.0 eV; [M+H]+ +RECORD_TITLE: Dihydrozeatin; LC-ESI-QQQ; MS2; CE:20.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY XXFACTAYGKKOQB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90933510 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020101.txt b/RIKEN/MSBNK-RIKEN-PR020101.txt index 38c5a01d751..a43bd5edf93 100644 --- a/RIKEN/MSBNK-RIKEN-PR020101.txt +++ b/RIKEN/MSBNK-RIKEN-PR020101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020101 -RECORD_TITLE: Dihydrozeatin; LC-ESI-QQ; MS2; CE:30.0 eV; [M+H]+ +RECORD_TITLE: Dihydrozeatin; LC-ESI-QQQ; MS2; CE:30.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY XXFACTAYGKKOQB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID90933510 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020102.txt b/RIKEN/MSBNK-RIKEN-PR020102.txt index f3f7cfc3801..6a1cc539740 100644 --- a/RIKEN/MSBNK-RIKEN-PR020102.txt +++ b/RIKEN/MSBNK-RIKEN-PR020102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020102 -RECORD_TITLE: Dihydrozeatin riboside; LC-ESI-QQ; MS2; CE:10.0 eV; [M+H]+ +RECORD_TITLE: Dihydrozeatin riboside; LC-ESI-QQQ; MS2; CE:10.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DBVVQDGIJAUEAZ-YXYADJKSSA-N CH$LINK: COMPTOX DTXSID50441247 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020103.txt b/RIKEN/MSBNK-RIKEN-PR020103.txt index b0df8dbf63e..c92a8811149 100644 --- a/RIKEN/MSBNK-RIKEN-PR020103.txt +++ b/RIKEN/MSBNK-RIKEN-PR020103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020103 -RECORD_TITLE: Dihydrozeatin riboside; LC-ESI-QQ; MS2; CE:20.0 eV; [M+H]+ +RECORD_TITLE: Dihydrozeatin riboside; LC-ESI-QQQ; MS2; CE:20.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DBVVQDGIJAUEAZ-YXYADJKSSA-N CH$LINK: COMPTOX DTXSID50441247 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020104.txt b/RIKEN/MSBNK-RIKEN-PR020104.txt index 8fb3e5acfff..91cbe84c847 100644 --- a/RIKEN/MSBNK-RIKEN-PR020104.txt +++ b/RIKEN/MSBNK-RIKEN-PR020104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020104 -RECORD_TITLE: Dihydrozeatin riboside; LC-ESI-QQ; MS2; CE:30.0 eV; [M+H]+ +RECORD_TITLE: Dihydrozeatin riboside; LC-ESI-QQQ; MS2; CE:30.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY DBVVQDGIJAUEAZ-YXYADJKSSA-N CH$LINK: COMPTOX DTXSID50441247 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020105.txt b/RIKEN/MSBNK-RIKEN-PR020105.txt index d9d6a2e8251..301bfb106a8 100644 --- a/RIKEN/MSBNK-RIKEN-PR020105.txt +++ b/RIKEN/MSBNK-RIKEN-PR020105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020105 -RECORD_TITLE: Isopentenyladenine; LC-ESI-QQ; MS2; CE:10.0 eV; [M+H]+ +RECORD_TITLE: Isopentenyladenine; LC-ESI-QQQ; MS2; CE:10.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -21,7 +21,7 @@ CH$LINK: PUBCHEM CID:92180 CH$LINK: INCHIKEY DIMSEFDETYWFFK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001797; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020106.txt b/RIKEN/MSBNK-RIKEN-PR020106.txt index 7595806dcaa..e4f55b45f9d 100644 --- a/RIKEN/MSBNK-RIKEN-PR020106.txt +++ b/RIKEN/MSBNK-RIKEN-PR020106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020106 -RECORD_TITLE: Isopentenyladenine; LC-ESI-QQ; MS2; CE:20.0 eV; [M+H]+ +RECORD_TITLE: Isopentenyladenine; LC-ESI-QQQ; MS2; CE:20.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2012.10.22) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -22,7 +22,7 @@ CH$LINK: INCHIKEY HYVABZIGRDEKCD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10178325 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020107.txt b/RIKEN/MSBNK-RIKEN-PR020107.txt index 83809a10c6f..147f7b8e884 100644 --- a/RIKEN/MSBNK-RIKEN-PR020107.txt +++ b/RIKEN/MSBNK-RIKEN-PR020107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020107 -RECORD_TITLE: Isopentenyladenosine; LC-ESI-QQ; MS2; CE:10.0 eV; [M+H]+ +RECORD_TITLE: Isopentenyladenosine; LC-ESI-QQQ; MS2; CE:10.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY USVMJSALORZVDV-SDBHATRESA-N CH$LINK: COMPTOX DTXSID1057828 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020108.txt b/RIKEN/MSBNK-RIKEN-PR020108.txt index c73703c9d2a..938245cb9b7 100644 --- a/RIKEN/MSBNK-RIKEN-PR020108.txt +++ b/RIKEN/MSBNK-RIKEN-PR020108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020108 -RECORD_TITLE: Isopentenyladenosine; LC-ESI-QQ; MS2; CE:20.0 eV; [M+H]+ +RECORD_TITLE: Isopentenyladenosine; LC-ESI-QQQ; MS2; CE:20.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY USVMJSALORZVDV-SDBHATRESA-N CH$LINK: COMPTOX DTXSID1057828 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020109.txt b/RIKEN/MSBNK-RIKEN-PR020109.txt index 387dba4c138..42ea6d72d27 100644 --- a/RIKEN/MSBNK-RIKEN-PR020109.txt +++ b/RIKEN/MSBNK-RIKEN-PR020109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020109 -RECORD_TITLE: Isopentenyladenosine; LC-ESI-QQ; MS2; CE:30.0 eV; [M+H]+ +RECORD_TITLE: Isopentenyladenosine; LC-ESI-QQQ; MS2; CE:30.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY USVMJSALORZVDV-SDBHATRESA-N CH$LINK: COMPTOX DTXSID1057828 CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020110.txt b/RIKEN/MSBNK-RIKEN-PR020110.txt index cb5218796e1..eca42157afe 100644 --- a/RIKEN/MSBNK-RIKEN-PR020110.txt +++ b/RIKEN/MSBNK-RIKEN-PR020110.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020110 -RECORD_TITLE: trans-Zeatin-7-glucoside; LC-ESI-QQ; MS2; CE:10.0 eV; [M+H]+ +RECORD_TITLE: trans-Zeatin-7-glucoside; LC-ESI-QQQ; MS2; CE:10.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:6450275 CH$LINK: INCHIKEY HTDHRCLVWUEXIS-HNVSNYHQSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020111.txt b/RIKEN/MSBNK-RIKEN-PR020111.txt index 03bab8298cd..9e2be768c46 100644 --- a/RIKEN/MSBNK-RIKEN-PR020111.txt +++ b/RIKEN/MSBNK-RIKEN-PR020111.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020111 -RECORD_TITLE: trans-Zeatin-7-glucoside; LC-ESI-QQ; MS2; CE:20.0 eV; [M+H]+ +RECORD_TITLE: trans-Zeatin-7-glucoside; LC-ESI-QQQ; MS2; CE:20.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:6450275 CH$LINK: INCHIKEY HTDHRCLVWUEXIS-HNVSNYHQSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020112.txt b/RIKEN/MSBNK-RIKEN-PR020112.txt index c03e87a83a6..c98fa7f7565 100644 --- a/RIKEN/MSBNK-RIKEN-PR020112.txt +++ b/RIKEN/MSBNK-RIKEN-PR020112.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020112 -RECORD_TITLE: trans-Zeatin-9-glucoside; LC-ESI-QQ; MS2; CE:10.0 eV; [M+H]+ +RECORD_TITLE: trans-Zeatin-9-glucoside; LC-ESI-QQQ; MS2; CE:10.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -13,7 +13,7 @@ CH$LINK: CAS 51255-96-0 CH$LINK: INCHIKEY VYRAJOITMBSQSE-HNVSNYHQSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020113.txt b/RIKEN/MSBNK-RIKEN-PR020113.txt index fad2b8f0b4c..1ded23339b2 100644 --- a/RIKEN/MSBNK-RIKEN-PR020113.txt +++ b/RIKEN/MSBNK-RIKEN-PR020113.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020113 -RECORD_TITLE: trans-Zeatin-9-glucoside; LC-ESI-QQ; MS2; CE:20.0 eV; [M+H]+ +RECORD_TITLE: trans-Zeatin-9-glucoside; LC-ESI-QQQ; MS2; CE:20.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -13,7 +13,7 @@ CH$LINK: CAS 51255-96-0 CH$LINK: INCHIKEY VYRAJOITMBSQSE-HNVSNYHQSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020114.txt b/RIKEN/MSBNK-RIKEN-PR020114.txt index ebbf0fbbdfe..c9dd8f5104a 100644 --- a/RIKEN/MSBNK-RIKEN-PR020114.txt +++ b/RIKEN/MSBNK-RIKEN-PR020114.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020114 -RECORD_TITLE: trans-Zeatin-9-glucoside; LC-ESI-QQ; MS2; CE:30.0 eV; [M+H]+ +RECORD_TITLE: trans-Zeatin-9-glucoside; LC-ESI-QQQ; MS2; CE:30.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -13,7 +13,7 @@ CH$LINK: CAS 51255-96-0 CH$LINK: INCHIKEY VYRAJOITMBSQSE-HNVSNYHQSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020115.txt b/RIKEN/MSBNK-RIKEN-PR020115.txt index 6e0f3bfe4fa..80e40978d21 100644 --- a/RIKEN/MSBNK-RIKEN-PR020115.txt +++ b/RIKEN/MSBNK-RIKEN-PR020115.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020115 -RECORD_TITLE: trans-Zeatin-O-glucoside; LC-ESI-QQ; MS2; CE:10.0 eV; [M+H]+ +RECORD_TITLE: trans-Zeatin-O-glucoside; LC-ESI-QQQ; MS2; CE:10.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -13,7 +13,7 @@ CH$LINK: CAS 56329-06-7 CH$LINK: INCHIKEY UUPDCCPAOMDMPT-HNVSNYHQSA-N CH$LINK: ChemOnt CHEMONTID:0001766; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020116.txt b/RIKEN/MSBNK-RIKEN-PR020116.txt index 07179fca04e..093ad44e889 100644 --- a/RIKEN/MSBNK-RIKEN-PR020116.txt +++ b/RIKEN/MSBNK-RIKEN-PR020116.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020116 -RECORD_TITLE: trans-Zeatin-O-glucoside; LC-ESI-QQ; MS2; CE:20.0 eV; [M+H]+ +RECORD_TITLE: trans-Zeatin-O-glucoside; LC-ESI-QQQ; MS2; CE:20.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -13,7 +13,7 @@ CH$LINK: CAS 56329-06-7 CH$LINK: INCHIKEY UUPDCCPAOMDMPT-HNVSNYHQSA-N CH$LINK: ChemOnt CHEMONTID:0001766; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020117.txt b/RIKEN/MSBNK-RIKEN-PR020117.txt index 15c52f958a1..71deba9d694 100644 --- a/RIKEN/MSBNK-RIKEN-PR020117.txt +++ b/RIKEN/MSBNK-RIKEN-PR020117.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020117 -RECORD_TITLE: Dihydrozeatin-9-beta-D-glucoside; LC-ESI-QQ; MS2; CE:10.0 eV; [M+H]+ +RECORD_TITLE: Dihydrozeatin-9-beta-D-glucoside; LC-ESI-QQQ; MS2; CE:10.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$LINK: CAS 73263-99-7(Putative) CH$LINK: INCHIKEY DRPMMLWYLAPTPK-UFZVAZPKSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020118.txt b/RIKEN/MSBNK-RIKEN-PR020118.txt index 73c2d218d27..bd3e8eaf6dc 100644 --- a/RIKEN/MSBNK-RIKEN-PR020118.txt +++ b/RIKEN/MSBNK-RIKEN-PR020118.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020118 -RECORD_TITLE: Dihydrozeatin-9-beta-D-glucoside; LC-ESI-QQ; MS2; CE:20.0 eV; [M+H]+ +RECORD_TITLE: Dihydrozeatin-9-beta-D-glucoside; LC-ESI-QQQ; MS2; CE:20.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$LINK: CAS 73263-99-7(Putative) CH$LINK: INCHIKEY DRPMMLWYLAPTPK-UFZVAZPKSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020119.txt b/RIKEN/MSBNK-RIKEN-PR020119.txt index 170090da8e6..9407a59fe29 100644 --- a/RIKEN/MSBNK-RIKEN-PR020119.txt +++ b/RIKEN/MSBNK-RIKEN-PR020119.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020119 -RECORD_TITLE: Dihydrozeatin-9-beta-D-glucoside; LC-ESI-QQ; MS2; CE:30.0 eV; [M+H]+ +RECORD_TITLE: Dihydrozeatin-9-beta-D-glucoside; LC-ESI-QQQ; MS2; CE:30.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$LINK: CAS 73263-99-7(Putative) CH$LINK: INCHIKEY DRPMMLWYLAPTPK-UFZVAZPKSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020120.txt b/RIKEN/MSBNK-RIKEN-PR020120.txt index e9994aa2982..ca5231e2086 100644 --- a/RIKEN/MSBNK-RIKEN-PR020120.txt +++ b/RIKEN/MSBNK-RIKEN-PR020120.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020120 -RECORD_TITLE: N6-Isopentenyladenine-7-glucoside; LC-ESI-QQ; MS2; CE:10.0 eV; [M+H]+ +RECORD_TITLE: N6-Isopentenyladenine-7-glucoside; LC-ESI-QQQ; MS2; CE:10.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$LINK: PUBCHEM CID:330023 CH$LINK: INCHIKEY ORUWKZNXHJIZKV-HDNYONAXSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020121.txt b/RIKEN/MSBNK-RIKEN-PR020121.txt index e1f2e7bdf67..1f2e9f5dbbf 100644 --- a/RIKEN/MSBNK-RIKEN-PR020121.txt +++ b/RIKEN/MSBNK-RIKEN-PR020121.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020121 -RECORD_TITLE: N6-Isopentenyladenine-7-glucoside; LC-ESI-QQ; MS2; CE:20.0 eV; [M+H]+ +RECORD_TITLE: N6-Isopentenyladenine-7-glucoside; LC-ESI-QQQ; MS2; CE:20.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$LINK: PUBCHEM CID:11588660 CH$LINK: INCHIKEY ORUWKZNXHJIZKV-HDNYONAXSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020122.txt b/RIKEN/MSBNK-RIKEN-PR020122.txt index 92c51f45b64..a118dde94ba 100644 --- a/RIKEN/MSBNK-RIKEN-PR020122.txt +++ b/RIKEN/MSBNK-RIKEN-PR020122.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020122 -RECORD_TITLE: N6-Isopentenyladenine-9-glucoside; LC-ESI-QQ; MS2; CE:10.0 eV; [M+H]+ +RECORD_TITLE: N6-Isopentenyladenine-9-glucoside; LC-ESI-QQQ; MS2; CE:10.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -13,7 +13,7 @@ CH$LINK: CAS 83087-94-9(Putative) CH$LINK: INCHIKEY XEHLLUQVSRLWMH-HDNYONAXSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020123.txt b/RIKEN/MSBNK-RIKEN-PR020123.txt index 34b61bd0bb9..8ceebeeebf0 100644 --- a/RIKEN/MSBNK-RIKEN-PR020123.txt +++ b/RIKEN/MSBNK-RIKEN-PR020123.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020123 -RECORD_TITLE: N6-Isopentenyladenine-9-glucoside; LC-ESI-QQ; MS2; CE:20.0 eV; [M+H]+ +RECORD_TITLE: N6-Isopentenyladenine-9-glucoside; LC-ESI-QQQ; MS2; CE:20.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -13,7 +13,7 @@ CH$LINK: CAS 83087-94-9(Putative) CH$LINK: INCHIKEY XEHLLUQVSRLWMH-HDNYONAXSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020124.txt b/RIKEN/MSBNK-RIKEN-PR020124.txt index bca53798d20..962e7cf0dfe 100644 --- a/RIKEN/MSBNK-RIKEN-PR020124.txt +++ b/RIKEN/MSBNK-RIKEN-PR020124.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020124 -RECORD_TITLE: N6-Isopentenyladenine-9-glucoside; LC-ESI-QQ; MS2; CE:30.0 eV; [M+H]+ +RECORD_TITLE: N6-Isopentenyladenine-9-glucoside; LC-ESI-QQQ; MS2; CE:30.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -13,7 +13,7 @@ CH$LINK: CAS 83087-94-9(Putative) CH$LINK: INCHIKEY XEHLLUQVSRLWMH-HDNYONAXSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020125.txt b/RIKEN/MSBNK-RIKEN-PR020125.txt index 41aa83c9ddd..0b9b33c2e90 100644 --- a/RIKEN/MSBNK-RIKEN-PR020125.txt +++ b/RIKEN/MSBNK-RIKEN-PR020125.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020125 -RECORD_TITLE: trans-Zeatin riboside-O-glucoside; LC-ESI-QQ; MS2; CE:10.0 eV; [M+H]+ +RECORD_TITLE: trans-Zeatin riboside-O-glucoside; LC-ESI-QQQ; MS2; CE:10.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -13,7 +13,7 @@ CH$LINK: CAS 62512-97-4 CH$LINK: INCHIKEY MVMBTNNVZQRZQT-BPDSZQNASA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020126.txt b/RIKEN/MSBNK-RIKEN-PR020126.txt index bcf411d68a1..be2b30262b4 100644 --- a/RIKEN/MSBNK-RIKEN-PR020126.txt +++ b/RIKEN/MSBNK-RIKEN-PR020126.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020126 -RECORD_TITLE: trans-Zeatin riboside-O-glucoside; LC-ESI-QQ; MS2; CE:20.0 eV; [M+H]+ +RECORD_TITLE: trans-Zeatin riboside-O-glucoside; LC-ESI-QQQ; MS2; CE:20.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -13,7 +13,7 @@ CH$LINK: CAS 62512-97-4 CH$LINK: INCHIKEY MVMBTNNVZQRZQT-BPDSZQNASA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020127.txt b/RIKEN/MSBNK-RIKEN-PR020127.txt index 1123d51a6d3..06e89ff215c 100644 --- a/RIKEN/MSBNK-RIKEN-PR020127.txt +++ b/RIKEN/MSBNK-RIKEN-PR020127.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020127 -RECORD_TITLE: trans-Zeatin riboside-O-glucoside; LC-ESI-QQ; MS2; CE:30.0 eV; [M+H]+ +RECORD_TITLE: trans-Zeatin riboside-O-glucoside; LC-ESI-QQQ; MS2; CE:30.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -13,7 +13,7 @@ CH$LINK: CAS 62512-97-4 CH$LINK: INCHIKEY MVMBTNNVZQRZQT-BPDSZQNASA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020128.txt b/RIKEN/MSBNK-RIKEN-PR020128.txt index c88727621f6..488596b0d25 100644 --- a/RIKEN/MSBNK-RIKEN-PR020128.txt +++ b/RIKEN/MSBNK-RIKEN-PR020128.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020128 -RECORD_TITLE: Indoleacetic acid; LC-ESI-QQ; MS2; CE:10.0 eV; [M+H]+ +RECORD_TITLE: Indoleacetic acid; LC-ESI-QQQ; MS2; CE:10.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -21,7 +21,7 @@ CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5020738 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020129.txt b/RIKEN/MSBNK-RIKEN-PR020129.txt index 5468b580924..14b289f5534 100644 --- a/RIKEN/MSBNK-RIKEN-PR020129.txt +++ b/RIKEN/MSBNK-RIKEN-PR020129.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020129 -RECORD_TITLE: Indole-3-acetyl-L-alanine; LC-ESI-QQ; MS2; CE:10.0 eV; [M+H]+ +RECORD_TITLE: Indole-3-acetyl-L-alanine; LC-ESI-QQQ; MS2; CE:10.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:644225 CH$LINK: INCHIKEY FBDCJLXTUCMFLF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020130.txt b/RIKEN/MSBNK-RIKEN-PR020130.txt index d8ebd11a2f7..f643dc56ce9 100644 --- a/RIKEN/MSBNK-RIKEN-PR020130.txt +++ b/RIKEN/MSBNK-RIKEN-PR020130.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020130 -RECORD_TITLE: Indole-3-acetyl-L-aspartic acid; LC-ESI-QQ; MS2; CE:10.0 eV; [M+H]+ +RECORD_TITLE: Indole-3-acetyl-L-aspartic acid; LC-ESI-QQQ; MS2; CE:10.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -24,7 +24,7 @@ CH$LINK: INCHIKEY VAFNMNRKDDAKRM-NSHDSACASA-N CH$LINK: COMPTOX DTXSID30179298 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020131.txt b/RIKEN/MSBNK-RIKEN-PR020131.txt index f531899c50c..05d2afd07fe 100644 --- a/RIKEN/MSBNK-RIKEN-PR020131.txt +++ b/RIKEN/MSBNK-RIKEN-PR020131.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020131 -RECORD_TITLE: N-(3-Indolylacetyl)-L-isoleucine; LC-ESI-QQ; MS2; CE:10.0 eV; [M+H]+ +RECORD_TITLE: N-(3-Indolylacetyl)-L-isoleucine; LC-ESI-QQQ; MS2; CE:10.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2012.10.22) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:644226 CH$LINK: INCHIKEY WPTUQMUCTTVOFW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020132.txt b/RIKEN/MSBNK-RIKEN-PR020132.txt index 90ac4352a9d..ed54a5c0c6a 100644 --- a/RIKEN/MSBNK-RIKEN-PR020132.txt +++ b/RIKEN/MSBNK-RIKEN-PR020132.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020132 -RECORD_TITLE: N-(3-Indolylacetyl)-L-leucine; LC-ESI-QQ; MS2; CE:10.0 eV; [M+H]+ +RECORD_TITLE: N-(3-Indolylacetyl)-L-leucine; LC-ESI-QQQ; MS2; CE:10.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2012.10.22) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -14,7 +14,7 @@ CH$LINK: CAS 36838-63-8 CH$LINK: INCHIKEY HCZNPUHZYPPINM-AWEZNQCLSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020133.txt b/RIKEN/MSBNK-RIKEN-PR020133.txt index aeb1a730eb0..b4c7e2b29c2 100644 --- a/RIKEN/MSBNK-RIKEN-PR020133.txt +++ b/RIKEN/MSBNK-RIKEN-PR020133.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020133 -RECORD_TITLE: Indole-3-acetyl-L-phenylalanine; LC-ESI-QQ; MS2; CE:10.0 eV; [M+H]+ +RECORD_TITLE: Indole-3-acetyl-L-phenylalanine; LC-ESI-QQQ; MS2; CE:10.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:644227 CH$LINK: INCHIKEY BUGQHORRADGONS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020134.txt b/RIKEN/MSBNK-RIKEN-PR020134.txt index 00dac664854..3f80ddee116 100644 --- a/RIKEN/MSBNK-RIKEN-PR020134.txt +++ b/RIKEN/MSBNK-RIKEN-PR020134.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020134 -RECORD_TITLE: Indole-3-acetyl-L-tryptophan; LC-ESI-QQ; MS2; CE:10.0 eV; [M+H]+ +RECORD_TITLE: Indole-3-acetyl-L-tryptophan; LC-ESI-QQQ; MS2; CE:10.0 eV; [M+H]+ DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:644228 CH$LINK: INCHIKEY FOSPCYZZRVNHJS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020135.txt b/RIKEN/MSBNK-RIKEN-PR020135.txt index 82f69f11069..53f3f21c3b4 100644 --- a/RIKEN/MSBNK-RIKEN-PR020135.txt +++ b/RIKEN/MSBNK-RIKEN-PR020135.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020135 -RECORD_TITLE: Gibberellin A1; LC-ESI-QQ; MS2; CE:10.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A1; LC-ESI-QQQ; MS2; CE:10.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:439329 CH$LINK: INCHIKEY JLJLRLWOEMWYQK-OBDJNFEBSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020136.txt b/RIKEN/MSBNK-RIKEN-PR020136.txt index 00165069ef3..c09797e5768 100644 --- a/RIKEN/MSBNK-RIKEN-PR020136.txt +++ b/RIKEN/MSBNK-RIKEN-PR020136.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020136 -RECORD_TITLE: Gibberellin A1; LC-ESI-QQ; MS2; CE:20.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A1; LC-ESI-QQQ; MS2; CE:20.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:439329 CH$LINK: INCHIKEY JLJLRLWOEMWYQK-OBDJNFEBSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020137.txt b/RIKEN/MSBNK-RIKEN-PR020137.txt index 78c623090ba..a0cf707ed15 100644 --- a/RIKEN/MSBNK-RIKEN-PR020137.txt +++ b/RIKEN/MSBNK-RIKEN-PR020137.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020137 -RECORD_TITLE: Gibberellin A1; LC-ESI-QQ; MS2; CE:30.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A1; LC-ESI-QQQ; MS2; CE:30.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:439329 CH$LINK: INCHIKEY JLJLRLWOEMWYQK-OBDJNFEBSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020138.txt b/RIKEN/MSBNK-RIKEN-PR020138.txt index 0ac0ac0ae67..20cebac8631 100644 --- a/RIKEN/MSBNK-RIKEN-PR020138.txt +++ b/RIKEN/MSBNK-RIKEN-PR020138.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020138 -RECORD_TITLE: Gibberellin A3; LC-ESI-QQ; MS2; CE:10.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A3; LC-ESI-QQQ; MS2; CE:10.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IXORZMNAPKEEDV-OBDJNFEBSA-N CH$LINK: COMPTOX DTXSID0020656 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020139.txt b/RIKEN/MSBNK-RIKEN-PR020139.txt index 259592bf07b..1e1904ebae3 100644 --- a/RIKEN/MSBNK-RIKEN-PR020139.txt +++ b/RIKEN/MSBNK-RIKEN-PR020139.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020139 -RECORD_TITLE: Gibberellin A3; LC-ESI-QQ; MS2; CE:20.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A3; LC-ESI-QQQ; MS2; CE:20.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IXORZMNAPKEEDV-OBDJNFEBSA-N CH$LINK: COMPTOX DTXSID0020656 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020140.txt b/RIKEN/MSBNK-RIKEN-PR020140.txt index 87f08cf9bdb..dc29e060f04 100644 --- a/RIKEN/MSBNK-RIKEN-PR020140.txt +++ b/RIKEN/MSBNK-RIKEN-PR020140.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020140 -RECORD_TITLE: Gibberellin A3; LC-ESI-QQ; MS2; CE:30.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A3; LC-ESI-QQQ; MS2; CE:30.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -20,7 +20,7 @@ CH$LINK: INCHIKEY IXORZMNAPKEEDV-OBDJNFEBSA-N CH$LINK: COMPTOX DTXSID0020656 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020141.txt b/RIKEN/MSBNK-RIKEN-PR020141.txt index 5a25c6d15ed..8fe976dc1f2 100644 --- a/RIKEN/MSBNK-RIKEN-PR020141.txt +++ b/RIKEN/MSBNK-RIKEN-PR020141.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020141 -RECORD_TITLE: Gibberellin A4; LC-ESI-QQ; MS2; CE:10.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A4; LC-ESI-QQQ; MS2; CE:10.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY RSQSQJNRHICNNH-NFMPGMCNSA-N CH$LINK: COMPTOX DTXSID20896861 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020142.txt b/RIKEN/MSBNK-RIKEN-PR020142.txt index e6713ff1c3b..b41e43a82ef 100644 --- a/RIKEN/MSBNK-RIKEN-PR020142.txt +++ b/RIKEN/MSBNK-RIKEN-PR020142.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020142 -RECORD_TITLE: Gibberellin A4; LC-ESI-QQ; MS2; CE:20.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A4; LC-ESI-QQQ; MS2; CE:20.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY RSQSQJNRHICNNH-NFMPGMCNSA-N CH$LINK: COMPTOX DTXSID20896861 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020143.txt b/RIKEN/MSBNK-RIKEN-PR020143.txt index 85e677dbbc6..024cda0f7af 100644 --- a/RIKEN/MSBNK-RIKEN-PR020143.txt +++ b/RIKEN/MSBNK-RIKEN-PR020143.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020143 -RECORD_TITLE: Gibberellin A4; LC-ESI-QQ; MS2; CE:30.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A4; LC-ESI-QQQ; MS2; CE:30.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -19,7 +19,7 @@ CH$LINK: INCHIKEY RSQSQJNRHICNNH-NFMPGMCNSA-N CH$LINK: COMPTOX DTXSID20896861 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020144.txt b/RIKEN/MSBNK-RIKEN-PR020144.txt index 04ed874a18a..36d676064f3 100644 --- a/RIKEN/MSBNK-RIKEN-PR020144.txt +++ b/RIKEN/MSBNK-RIKEN-PR020144.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020144 -RECORD_TITLE: Gibberellin A5; LC-ESI-QQ; MS2; CE:10.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A5; LC-ESI-QQQ; MS2; CE:10.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:443464 CH$LINK: INCHIKEY ZOWHLBOPCIHIHW-KQBHUUJHSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020145.txt b/RIKEN/MSBNK-RIKEN-PR020145.txt index ae5759223c2..6bbe90fee1b 100644 --- a/RIKEN/MSBNK-RIKEN-PR020145.txt +++ b/RIKEN/MSBNK-RIKEN-PR020145.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020145 -RECORD_TITLE: Gibberellin A5; LC-ESI-QQ; MS2; CE:20.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A5; LC-ESI-QQQ; MS2; CE:20.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:443464 CH$LINK: INCHIKEY ZOWHLBOPCIHIHW-KQBHUUJHSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020146.txt b/RIKEN/MSBNK-RIKEN-PR020146.txt index 3f0bece8041..53a1fef2c12 100644 --- a/RIKEN/MSBNK-RIKEN-PR020146.txt +++ b/RIKEN/MSBNK-RIKEN-PR020146.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020146 -RECORD_TITLE: Gibberellin A7; LC-ESI-QQ; MS2; CE:10.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A7; LC-ESI-QQQ; MS2; CE:10.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SEEGHKWOBVVBTQ-NFMPGMCNSA-N CH$LINK: COMPTOX DTXSID60896860 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020147.txt b/RIKEN/MSBNK-RIKEN-PR020147.txt index 6c405a5a89c..9102b85d2a2 100644 --- a/RIKEN/MSBNK-RIKEN-PR020147.txt +++ b/RIKEN/MSBNK-RIKEN-PR020147.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020147 -RECORD_TITLE: Gibberellin A7; LC-ESI-QQ; MS2; CE:20.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A7; LC-ESI-QQQ; MS2; CE:20.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY SEEGHKWOBVVBTQ-NFMPGMCNSA-N CH$LINK: COMPTOX DTXSID60896860 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020148.txt b/RIKEN/MSBNK-RIKEN-PR020148.txt index f188ccfec19..5e0d731797a 100644 --- a/RIKEN/MSBNK-RIKEN-PR020148.txt +++ b/RIKEN/MSBNK-RIKEN-PR020148.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020148 -RECORD_TITLE: Gibberellin A8; LC-ESI-QQ; MS2; CE:10.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A8; LC-ESI-QQQ; MS2; CE:10.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:440051 CH$LINK: INCHIKEY WZRRJZYYGOOHRC-UQJCXHNCSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020149.txt b/RIKEN/MSBNK-RIKEN-PR020149.txt index c0f038d318f..1c9d46ebf19 100644 --- a/RIKEN/MSBNK-RIKEN-PR020149.txt +++ b/RIKEN/MSBNK-RIKEN-PR020149.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020149 -RECORD_TITLE: Gibberellin A8; LC-ESI-QQ; MS2; CE:20.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A8; LC-ESI-QQQ; MS2; CE:20.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:440051 CH$LINK: INCHIKEY WZRRJZYYGOOHRC-UQJCXHNCSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020150.txt b/RIKEN/MSBNK-RIKEN-PR020150.txt index 0f13dfb06ca..9d26dbdb256 100644 --- a/RIKEN/MSBNK-RIKEN-PR020150.txt +++ b/RIKEN/MSBNK-RIKEN-PR020150.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020150 -RECORD_TITLE: Gibberellin A9; LC-ESI-QQ; MS2; CE:10.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A9; LC-ESI-QQQ; MS2; CE:10.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:443456 CH$LINK: INCHIKEY MHVYWTXXZIFXDT-YGNOGLJPSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020151.txt b/RIKEN/MSBNK-RIKEN-PR020151.txt index 08936912239..171e14868d7 100644 --- a/RIKEN/MSBNK-RIKEN-PR020151.txt +++ b/RIKEN/MSBNK-RIKEN-PR020151.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020151 -RECORD_TITLE: Gibberellin A9; LC-ESI-QQ; MS2; CE:20.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A9; LC-ESI-QQQ; MS2; CE:20.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:5281984 CH$LINK: INCHIKEY MHVYWTXXZIFXDT-YGNOGLJPSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020152.txt b/RIKEN/MSBNK-RIKEN-PR020152.txt index dcd7131b459..08b79f1258a 100644 --- a/RIKEN/MSBNK-RIKEN-PR020152.txt +++ b/RIKEN/MSBNK-RIKEN-PR020152.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020152 -RECORD_TITLE: Gibberellin A19; LC-ESI-QQ; MS2; CE:10.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A19; LC-ESI-QQQ; MS2; CE:10.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:5281984 CH$LINK: INCHIKEY VNCQCPQAMDQEBY-YTJHIPEWSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020153.txt b/RIKEN/MSBNK-RIKEN-PR020153.txt index 2f0271682fc..ecb748aaf0d 100644 --- a/RIKEN/MSBNK-RIKEN-PR020153.txt +++ b/RIKEN/MSBNK-RIKEN-PR020153.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020153 -RECORD_TITLE: Gibberellin A19; LC-ESI-QQ; MS2; CE:20.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A19; LC-ESI-QQQ; MS2; CE:20.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:5281984 CH$LINK: INCHIKEY VNCQCPQAMDQEBY-YTJHIPEWSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020154.txt b/RIKEN/MSBNK-RIKEN-PR020154.txt index 51f5a8e2a38..cafca2166b3 100644 --- a/RIKEN/MSBNK-RIKEN-PR020154.txt +++ b/RIKEN/MSBNK-RIKEN-PR020154.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020154 -RECORD_TITLE: Gibberellin A19; LC-ESI-QQ; MS2; CE:30.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A19; LC-ESI-QQQ; MS2; CE:30.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:5281984 CH$LINK: INCHIKEY VNCQCPQAMDQEBY-YTJHIPEWSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020155.txt b/RIKEN/MSBNK-RIKEN-PR020155.txt index f786d127606..6fb3c59f611 100644 --- a/RIKEN/MSBNK-RIKEN-PR020155.txt +++ b/RIKEN/MSBNK-RIKEN-PR020155.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020155 -RECORD_TITLE: Gibberellin A20; LC-ESI-QQ; MS2; CE:10.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A20; LC-ESI-QQQ; MS2; CE:10.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:439635 CH$LINK: INCHIKEY OXFPYCSNYOFUCH-KQBHUUJHSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020156.txt b/RIKEN/MSBNK-RIKEN-PR020156.txt index 8812e98961a..fcb157f7e6c 100644 --- a/RIKEN/MSBNK-RIKEN-PR020156.txt +++ b/RIKEN/MSBNK-RIKEN-PR020156.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020156 -RECORD_TITLE: Gibberellin A20; LC-ESI-QQ; MS2; CE:20.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A20; LC-ESI-QQQ; MS2; CE:20.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:439635 CH$LINK: INCHIKEY OXFPYCSNYOFUCH-KQBHUUJHSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020157.txt b/RIKEN/MSBNK-RIKEN-PR020157.txt index ca160c68110..78b40a23c1a 100644 --- a/RIKEN/MSBNK-RIKEN-PR020157.txt +++ b/RIKEN/MSBNK-RIKEN-PR020157.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020157 -RECORD_TITLE: Gibberellin A20; LC-ESI-QQ; MS2; CE:30.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A20; LC-ESI-QQQ; MS2; CE:30.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:439635 CH$LINK: INCHIKEY OXFPYCSNYOFUCH-KQBHUUJHSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020158.txt b/RIKEN/MSBNK-RIKEN-PR020158.txt index 675cf094450..971ada958f9 100644 --- a/RIKEN/MSBNK-RIKEN-PR020158.txt +++ b/RIKEN/MSBNK-RIKEN-PR020158.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020158 -RECORD_TITLE: Gibberellin A24; LC-ESI-QQ; MS2; CE:10.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A24; LC-ESI-QQQ; MS2; CE:10.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY QQRSSHFHXYSOMF-CXXOJBQZSA-N CH$LINK: COMPTOX DTXSID90941155 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020159.txt b/RIKEN/MSBNK-RIKEN-PR020159.txt index 744a186a7a1..356c4a48716 100644 --- a/RIKEN/MSBNK-RIKEN-PR020159.txt +++ b/RIKEN/MSBNK-RIKEN-PR020159.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020159 -RECORD_TITLE: Gibberellin A24; LC-ESI-QQ; MS2; CE:20.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A24; LC-ESI-QQQ; MS2; CE:20.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY QQRSSHFHXYSOMF-CXXOJBQZSA-N CH$LINK: COMPTOX DTXSID90941155 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020160.txt b/RIKEN/MSBNK-RIKEN-PR020160.txt index 18cbb21c39e..61929910335 100644 --- a/RIKEN/MSBNK-RIKEN-PR020160.txt +++ b/RIKEN/MSBNK-RIKEN-PR020160.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020160 -RECORD_TITLE: Gibberellin A24; LC-ESI-QQ; MS2; CE:30.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A24; LC-ESI-QQQ; MS2; CE:30.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -17,7 +17,7 @@ CH$LINK: INCHIKEY QQRSSHFHXYSOMF-CXXOJBQZSA-N CH$LINK: COMPTOX DTXSID90941155 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020161.txt b/RIKEN/MSBNK-RIKEN-PR020161.txt index 7a1e3f9bc2b..0e4de19d852 100644 --- a/RIKEN/MSBNK-RIKEN-PR020161.txt +++ b/RIKEN/MSBNK-RIKEN-PR020161.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020161 -RECORD_TITLE: Gibberellin A29; LC-ESI-QQ; MS2; CE:10.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A29; LC-ESI-QQQ; MS2; CE:10.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: PUBCHEM CID:14605548 CH$LINK: INCHIKEY BKBYHSYZKIAJDA-WWSAFQOPSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020162.txt b/RIKEN/MSBNK-RIKEN-PR020162.txt index f84291cd1f2..2221303db98 100644 --- a/RIKEN/MSBNK-RIKEN-PR020162.txt +++ b/RIKEN/MSBNK-RIKEN-PR020162.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020162 -RECORD_TITLE: Gibberellin A29; LC-ESI-QQ; MS2; CE:20.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A29; LC-ESI-QQQ; MS2; CE:20.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -15,7 +15,7 @@ CH$LINK: PUBCHEM CID:14605548 CH$LINK: INCHIKEY BKBYHSYZKIAJDA-WWSAFQOPSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020163.txt b/RIKEN/MSBNK-RIKEN-PR020163.txt index 6a663dc85ec..09f4936240c 100644 --- a/RIKEN/MSBNK-RIKEN-PR020163.txt +++ b/RIKEN/MSBNK-RIKEN-PR020163.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020163 -RECORD_TITLE: Gibberellin A44; LC-ESI-QQ; MS2; CE:10.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A44; LC-ESI-QQQ; MS2; CE:10.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:5460372 CH$LINK: INCHIKEY KSBJAONOPKRVRR-YTJHIPEWSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020164.txt b/RIKEN/MSBNK-RIKEN-PR020164.txt index 293ddea66d2..5ac68fb4f00 100644 --- a/RIKEN/MSBNK-RIKEN-PR020164.txt +++ b/RIKEN/MSBNK-RIKEN-PR020164.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020164 -RECORD_TITLE: Gibberellin A44; LC-ESI-QQ; MS2; CE:20.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A44; LC-ESI-QQQ; MS2; CE:20.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:5460372 CH$LINK: INCHIKEY KSBJAONOPKRVRR-YTJHIPEWSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020165.txt b/RIKEN/MSBNK-RIKEN-PR020165.txt index 31f8f6fb194..7b0156f9e53 100644 --- a/RIKEN/MSBNK-RIKEN-PR020165.txt +++ b/RIKEN/MSBNK-RIKEN-PR020165.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020165 -RECORD_TITLE: Gibberellin A44; LC-ESI-QQ; MS2; CE:30.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A44; LC-ESI-QQQ; MS2; CE:30.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:5460372 CH$LINK: INCHIKEY KSBJAONOPKRVRR-YTJHIPEWSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020166.txt b/RIKEN/MSBNK-RIKEN-PR020166.txt index dbfd7f00375..f9340b7600b 100644 --- a/RIKEN/MSBNK-RIKEN-PR020166.txt +++ b/RIKEN/MSBNK-RIKEN-PR020166.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020166 -RECORD_TITLE: Gibberellin A44; LC-ESI-QQ; MS2; CE:40.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A44; LC-ESI-QQQ; MS2; CE:40.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: PUBCHEM CID:5460372 CH$LINK: INCHIKEY KSBJAONOPKRVRR-YTJHIPEWSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020167.txt b/RIKEN/MSBNK-RIKEN-PR020167.txt index 6cbb4bbafbc..007d88217fc 100644 --- a/RIKEN/MSBNK-RIKEN-PR020167.txt +++ b/RIKEN/MSBNK-RIKEN-PR020167.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020167 -RECORD_TITLE: Gibberellin A53; LC-ESI-QQ; MS2; CE:10.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A53; LC-ESI-QQQ; MS2; CE:10.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CZEMYYICWZPENF-VOLTXKGXSA-N CH$LINK: COMPTOX DTXSID20331540 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020168.txt b/RIKEN/MSBNK-RIKEN-PR020168.txt index ee7145f06e8..9db760195a5 100644 --- a/RIKEN/MSBNK-RIKEN-PR020168.txt +++ b/RIKEN/MSBNK-RIKEN-PR020168.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020168 -RECORD_TITLE: Gibberellin A53; LC-ESI-QQ; MS2; CE:20.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A53; LC-ESI-QQQ; MS2; CE:20.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CZEMYYICWZPENF-VOLTXKGXSA-N CH$LINK: COMPTOX DTXSID20331540 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020169.txt b/RIKEN/MSBNK-RIKEN-PR020169.txt index 1b9f6926478..c13e7216f1d 100644 --- a/RIKEN/MSBNK-RIKEN-PR020169.txt +++ b/RIKEN/MSBNK-RIKEN-PR020169.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020169 -RECORD_TITLE: Gibberellin A53; LC-ESI-QQ; MS2; CE:30.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A53; LC-ESI-QQQ; MS2; CE:30.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CZEMYYICWZPENF-VOLTXKGXSA-N CH$LINK: COMPTOX DTXSID20331540 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020170.txt b/RIKEN/MSBNK-RIKEN-PR020170.txt index 2fe6af75014..4d347cc3a9f 100644 --- a/RIKEN/MSBNK-RIKEN-PR020170.txt +++ b/RIKEN/MSBNK-RIKEN-PR020170.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020170 -RECORD_TITLE: Gibberellin A53; LC-ESI-QQ; MS2; CE:40.0 eV; [M-H]- +RECORD_TITLE: Gibberellin A53; LC-ESI-QQQ; MS2; CE:40.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.08.31, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -18,7 +18,7 @@ CH$LINK: INCHIKEY CZEMYYICWZPENF-VOLTXKGXSA-N CH$LINK: COMPTOX DTXSID20331540 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020171.txt b/RIKEN/MSBNK-RIKEN-PR020171.txt index b29b388fff7..38201bc16b3 100644 --- a/RIKEN/MSBNK-RIKEN-PR020171.txt +++ b/RIKEN/MSBNK-RIKEN-PR020171.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020171 -RECORD_TITLE: (+/-)-cis,trans-abscisic acid; LC-ESI-QQ; MS2; CE:5.0 eV; [M-H]- +RECORD_TITLE: (+/-)-cis,trans-abscisic acid; LC-ESI-QQQ; MS2; CE:5.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY JLIDBLDQVAYHNE-LXGGSRJLSA-N CH$LINK: COMPTOX DTXSID1030604 CH$LINK: ChemOnt CHEMONTID:0001550; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5.0 eV diff --git a/RIKEN/MSBNK-RIKEN-PR020172.txt b/RIKEN/MSBNK-RIKEN-PR020172.txt index 99ae633e160..6e0d9c4e034 100644 --- a/RIKEN/MSBNK-RIKEN-PR020172.txt +++ b/RIKEN/MSBNK-RIKEN-PR020172.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN-PR020172 -RECORD_TITLE: (+/-)-cis,trans-abscisic acid; LC-ESI-QQ; MS2; CE:10.0 eV; [M-H]- +RECORD_TITLE: (+/-)-cis,trans-abscisic acid; LC-ESI-QQQ; MS2; CE:10.0 eV; [M-H]- DATE: 2016.01.19 (Created 2007.12.03, modified 2011.05.06) AUTHORS: Kojima M, Sakakibara H, Plant Science Center, RIKEN. LICENSE: CC BY-SA @@ -16,7 +16,7 @@ CH$LINK: INCHIKEY JLIDBLDQVAYHNE-LXGGSRJLSA-N CH$LINK: COMPTOX DTXSID1030604 CH$LINK: ChemOnt CHEMONTID:0001550; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids AC$INSTRUMENT: UPLC Waters, Quattro Ultima Pt Micromass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10.0 eV diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000301.txt index f739439558f..ebf52c34761 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000301 -RECORD_TITLE: Chlorogenic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Chlorogenic acid; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:1794427 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000302.txt index c9c6696d563..874849e241d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000302 -RECORD_TITLE: 4-O-Caffeoylquinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-O-Caffeoylquinic acid; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:58427569 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000304.txt index 90525723f5f..91529851d3d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000304 -RECORD_TITLE: 1-O-Caffeoylquinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-O-Caffeoylquinic acid; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:53393476 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000305.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000305.txt index e170278804e..c35844268c7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000305.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000305 -RECORD_TITLE: 1,3-Dicaffeoylquinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,3-Dicaffeoylquinic acid; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:5281769 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000306.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000306.txt index 48f5f9ec642..c43041ccb43 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000306.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000306.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000306 -RECORD_TITLE: 1,5-Dicaffeoylquinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,5-Dicaffeoylquinic acid; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:5281769 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000307.txt index 2d438f0de7d..1a7af8dfe0d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000307 -RECORD_TITLE: 3-O-Feruloylquinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-O-Feruloylquinic acid; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:9799386 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000309.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000309.txt index eb90b719856..710b36b121c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000309.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000309.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000309 -RECORD_TITLE: 5-O-Feruloylquinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5-O-Feruloylquinic acid; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:73210496 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000310.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000310.txt index 0691e19967f..996d2634d1d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000310.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000310.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000310 -RECORD_TITLE: 4-Coumaroylquinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Coumaroylquinic acid; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:5281766 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000312.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000312.txt index d4bf3997927..6b0d80c8406 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000312.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000312.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000312 -RECORD_TITLE: p-Hydroxybenzoic acid-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Hydroxybenzoic acid-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:440186 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000313.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000313.txt index 9ac64a3185c..68260373e96 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000313.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000313.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000313 -RECORD_TITLE: Esculin; LC-ESI-QQ; MS2 +RECORD_TITLE: Esculin; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID7045318 CH$LINK: ChemOnt CHEMONTID:0001743; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Coumarin glycosides SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000316.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000316.txt index 04ff85093f6..44384916198 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000316.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000316.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000316 -RECORD_TITLE: Rutin; LC-ESI-QQ; MS2 +RECORD_TITLE: Rutin; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID3022326 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000317.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000317.txt index 609e72e4994..803782fef49 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000317.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000317.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000317 -RECORD_TITLE: Eriocitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Eriocitrin; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:13872461 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000319.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000319.txt index fdfb50f8fac..8675c3f7ef2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000319.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000319.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000319 -RECORD_TITLE: Hyperoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Hyperoside; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:5281643 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000320.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000320.txt index c4f94496d28..ecbbb8e1aed 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000320.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000320.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000320 -RECORD_TITLE: Narirutin; LC-ESI-QQ; MS2 +RECORD_TITLE: Narirutin; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID30931535 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000321.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000321.txt index d34efa9caad..1770c11d55e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000321.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000321.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000321 -RECORD_TITLE: Isoquercetin; LC-ESI-QQ; MS2 +RECORD_TITLE: Isoquercetin; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:5280804 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000322.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000322.txt index 1a6a0e1f678..20142d9fcf9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000322.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000322.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000322 -RECORD_TITLE: Kaempferol-3-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID50938804 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000323.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000323.txt index 2891bbb7a20..ecc183f941a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000323.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000323.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000323 -RECORD_TITLE: Kaempferol-3-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:5282102 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000324.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000324.txt index 7b24b9ed028..64a9659041f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000324.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000324.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000324 -RECORD_TITLE: Isorhamnetin-3-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Isorhamnetin-3-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID00209157 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000325.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000325.txt index e8846977f9c..f9d30dc902a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000325.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000325.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000325 -RECORD_TITLE: Quercetin 3-glucuronide; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin 3-glucuronide; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:12004528 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000326.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000326.txt index 65ea6e9f8b8..2c1ad7daf5f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000326.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000326.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000326 -RECORD_TITLE: Luteolin-7-O-glucuronide; LC-ESI-QQ; MS2 +RECORD_TITLE: Luteolin-7-O-glucuronide; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:13607752 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000327.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000327.txt index 92d781c867f..e88f640ca8b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000327.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000327.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000327 -RECORD_TITLE: Isorhamnetin-3-O-galactoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Isorhamnetin-3-O-galactoside; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID90855824 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000328.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000328.txt index ce2f8fdae2d..0d09982d5ac 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000328.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000328.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000328 -RECORD_TITLE: Isorhamnetin-3-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Isorhamnetin-3-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:5318645 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000329.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000329.txt index 76749fdd690..129b6310c93 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000329.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000329.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000329 -RECORD_TITLE: Kaempferol-3-O-glucuronide; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-O-glucuronide; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:14185731 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000330.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000330.txt index 66f303bfb12..fa856608b57 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000330.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000330.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000330 -RECORD_TITLE: Isorhamnetin-3-O-glucuronide; LC-ESI-QQ; MS2 +RECORD_TITLE: Isorhamnetin-3-O-glucuronide; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID70957931 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000331.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000331.txt index 108be614998..660af880362 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000331.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000331.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000331 -RECORD_TITLE: Rosmarinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Rosmarinic acid; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID20896987 CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000332.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000332.txt index 5a79afe2c55..f2917e13560 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000332.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000332.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000332 -RECORD_TITLE: Apigenin-7-O-glucuronide; LC-ESI-QQ; MS2 +RECORD_TITLE: Apigenin-7-O-glucuronide; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:12912214 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000333.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000333.txt index af1af3aeb3f..1b8c9a2e72b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000333.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000333.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000333 -RECORD_TITLE: Acacetin-7-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Acacetin-7-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID40197382 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000334.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000334.txt index 5841327a1a6..b342a6c6c33 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000334.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000334.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000334 -RECORD_TITLE: Acacetin; LC-ESI-QQ; MS2 +RECORD_TITLE: Acacetin; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID00197383 CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000335.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000335.txt index a7803817787..3e8eb5da7ec 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000335.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000335.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000335 -RECORD_TITLE: Kaempferol; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID7020768 CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000336.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000336.txt index 3eed82002a4..ccd5d7f12c9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000336.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000336.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000336 -RECORD_TITLE: Naringenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Naringenin; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID1022392 CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000337.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000337.txt index 4c9ba91a2ec..ac5c27e7106 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000337.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000337.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000337 -RECORD_TITLE: Isorhamnetin; LC-ESI-QQ; MS2 +RECORD_TITLE: Isorhamnetin; LC-ESI-QQQ; MS2 DATE: 2006.04.19 AUTHORS: Parejo I, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID10197379 CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones SP$SAMPLE: Foeniculum vulgare AC$INSTRUMENT: API 3000 triple-quadrupole mass spectrometer (PerkinElmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000401.txt index 6231fe62d21..2837e7b5459 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000401 -RECORD_TITLE: Gallic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Gallic acid; LC-ESI-QQQ; MS2 DATE: 2006.04.20 AUTHORS: Sanchez-Rabaneda F, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID0020650 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives SP$SAMPLE: Theobroma cacao AC$INSTRUMENT: Agilent (Waldbronn, Germany) Model 1100; API 3000 triple-quadrupole mass spectrometer (Perkin-Elmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000402.txt index cbbd70e8305..961f6278560 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000402 -RECORD_TITLE: Protocatechuic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Protocatechuic acid; LC-ESI-QQQ; MS2 DATE: 2006.04.20 AUTHORS: Sanchez-Rabaneda F, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID4021212 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives SP$SAMPLE: Theobroma cacao AC$INSTRUMENT: Agilent (Waldbronn, Germany) Model 1100; API 3000 triple-quadrupole mass spectrometer (Perkin-Elmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000403.txt index 71d0a221c42..25151a9e562 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000403 -RECORD_TITLE: Catechin; LC-ESI-QQ; MS2 +RECORD_TITLE: Catechin; LC-ESI-QQQ; MS2 DATE: 2006.04.20 AUTHORS: Sanchez-Rabaneda F, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID3022322 CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans SP$SAMPLE: Theobroma cacao AC$INSTRUMENT: Agilent (Waldbronn, Germany) Model 1100; API 3000 triple-quadrupole mass spectrometer (Perkin-Elmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000404.txt index 0eea5bea456..8981af9f8ec 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000404 -RECORD_TITLE: Caffeic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Caffeic acid; LC-ESI-QQQ; MS2 DATE: 2006.04.20 AUTHORS: Sanchez-Rabaneda F, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:689043 CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives SP$SAMPLE: Theobroma cacao AC$INSTRUMENT: Agilent (Waldbronn, Germany) Model 1100; API 3000 triple-quadrupole mass spectrometer (Perkin-Elmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000405.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000405.txt index 27f288a251e..011a0c8b52c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000405.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000405 -RECORD_TITLE: Epicatechin; LC-ESI-QQ; MS2 +RECORD_TITLE: Epicatechin; LC-ESI-QQQ; MS2 DATE: 2006.04.20 AUTHORS: Sanchez-Rabaneda F, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID4045133 CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans SP$SAMPLE: Theobroma cacao AC$INSTRUMENT: Agilent (Waldbronn, Germany) Model 1100; API 3000 triple-quadrupole mass spectrometer (Perkin-Elmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000407.txt index 67692ca593d..fc9e33ffd3a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000407 -RECORD_TITLE: Isoorientin; LC-ESI-QQ; MS2 +RECORD_TITLE: Isoorientin; LC-ESI-QQQ; MS2 DATE: 2006.04.20 AUTHORS: Sanchez-Rabaneda F, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID50962609 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Theobroma cacao AC$INSTRUMENT: Agilent (Waldbronn, Germany) Model 1100; API 3000 triple-quadrupole mass spectrometer (Perkin-Elmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000408.txt index b8bcec3fbe7..aaa76c3e03b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000408 -RECORD_TITLE: Orientin; LC-ESI-QQ; MS2 +RECORD_TITLE: Orientin; LC-ESI-QQQ; MS2 DATE: 2006.04.20 AUTHORS: Sanchez-Rabaneda F, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID60182790 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Theobroma cacao AC$INSTRUMENT: Agilent (Waldbronn, Germany) Model 1100; API 3000 triple-quadrupole mass spectrometer (Perkin-Elmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000409.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000409.txt index 08604bb83c9..40d246f8fc2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000409.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000409 -RECORD_TITLE: Ferulic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Ferulic acid; LC-ESI-QQQ; MS2 DATE: 2006.04.20 AUTHORS: Sanchez-Rabaneda F, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID70892035 CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives SP$SAMPLE: Theobroma cacao AC$INSTRUMENT: Agilent (Waldbronn, Germany) Model 1100; API 3000 triple-quadrupole mass spectrometer (Perkin-Elmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000410.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000410.txt index e67a2434d5d..ec80c15a4cd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000410.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000410.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000410 -RECORD_TITLE: Vitexin; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitexin; LC-ESI-QQQ; MS2 DATE: 2006.04.20 AUTHORS: Sanchez-Rabaneda F, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID90190287 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Theobroma cacao AC$INSTRUMENT: Agilent (Waldbronn, Germany) Model 1100; API 3000 triple-quadrupole mass spectrometer (Perkin-Elmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000411.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000411.txt index 74661a1e486..d4f0e1f1ad6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000411.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000411.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000411 -RECORD_TITLE: Isovitexin; LC-ESI-QQ; MS2 +RECORD_TITLE: Isovitexin; LC-ESI-QQQ; MS2 DATE: 2006.04.20 AUTHORS: Sanchez-Rabaneda F, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID60952152 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Theobroma cacao AC$INSTRUMENT: Agilent (Waldbronn, Germany) Model 1100; API 3000 triple-quadrupole mass spectrometer (Perkin-Elmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000412.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000412.txt index e13ca3745f5..54022c924c2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000412.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000412.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000412 -RECORD_TITLE: Luteolin-7-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Luteolin-7-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2006.04.20 AUTHORS: Sanchez-Rabaneda F, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID50949617 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Theobroma cacao AC$INSTRUMENT: Agilent (Waldbronn, Germany) Model 1100; API 3000 triple-quadrupole mass spectrometer (Perkin-Elmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000413.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000413.txt index 2f125fbaee7..e0c9f515b47 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000413.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000413.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000413 -RECORD_TITLE: Apigenin-7-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Apigenin-7-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2006.04.20 AUTHORS: Sanchez-Rabaneda F, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:9851181 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Theobroma cacao AC$INSTRUMENT: Agilent (Waldbronn, Germany) Model 1100; API 3000 triple-quadrupole mass spectrometer (Perkin-Elmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000414.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000414.txt index 556c6aa6349..d9d5381dd6f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000414.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000414.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000414 -RECORD_TITLE: Prunin; LC-ESI-QQ; MS2 +RECORD_TITLE: Prunin; LC-ESI-QQQ; MS2 DATE: 2006.04.20 AUTHORS: Sanchez-Rabaneda F, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:92794 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Theobroma cacao AC$INSTRUMENT: Agilent (Waldbronn, Germany) Model 1100; API 3000 triple-quadrupole mass spectrometer (Perkin-Elmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000415.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000415.txt index f2c84fe5a4e..c5810ddd0df 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000415.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000415.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000415 -RECORD_TITLE: Quercitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercitrin; LC-ESI-QQQ; MS2 DATE: 2006.04.20 AUTHORS: Sanchez-Rabaneda F, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID50200230 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Theobroma cacao AC$INSTRUMENT: Agilent (Waldbronn, Germany) Model 1100; API 3000 triple-quadrupole mass spectrometer (Perkin-Elmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000416.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000416.txt index f6fdb01eec5..e25c69ddec7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000416.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000416.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000416 -RECORD_TITLE: Naringenin-7-O-neohesperidoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Naringenin-7-O-neohesperidoside; LC-ESI-QQQ; MS2 DATE: 2006.04.20 AUTHORS: Sanchez-Rabaneda F, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: COMPTOX DTXSID6022478 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Theobroma cacao AC$INSTRUMENT: Agilent (Waldbronn, Germany) Model 1100; API 3000 triple-quadrupole mass spectrometer (Perkin-Elmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000417.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000417.txt index edc8c8c2f27..377a6b94784 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000417.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000417.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000417 -RECORD_TITLE: Kaempferol-7-O-neohesperidoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-7-O-neohesperidoside; LC-ESI-QQQ; MS2 DATE: 2006.04.20 AUTHORS: Sanchez-Rabaneda F, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:129710622 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Theobroma cacao AC$INSTRUMENT: Agilent (Waldbronn, Germany) Model 1100; API 3000 triple-quadrupole mass spectrometer (Perkin-Elmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000418.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000418.txt index a48bf5275fa..0922418d4b8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000418.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000418.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000418 -RECORD_TITLE: Apigenin-7-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Apigenin-7-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2006.04.20 AUTHORS: Sanchez-Rabaneda F, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:5280704 CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides SP$SAMPLE: Theobroma cacao AC$INSTRUMENT: Agilent (Waldbronn, Germany) Model 1100; API 3000 triple-quadrupole mass spectrometer (Perkin-Elmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000419.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000419.txt index 2588a6b7d0b..fab2cdd6439 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000419.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000419.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000419 -RECORD_TITLE: Quercetin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin; LC-ESI-QQQ; MS2 DATE: 2006.04.20 AUTHORS: Sanchez-Rabaneda F, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID4021218 CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones SP$SAMPLE: Theobroma cacao AC$INSTRUMENT: Agilent (Waldbronn, Germany) Model 1100; API 3000 triple-quadrupole mass spectrometer (Perkin-Elmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000420.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000420.txt index b3ef2d20a56..178da3a36b2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000420.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000420.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000420 -RECORD_TITLE: Luteolin; LC-ESI-QQ; MS2 +RECORD_TITLE: Luteolin; LC-ESI-QQQ; MS2 DATE: 2006.04.20 AUTHORS: Sanchez-Rabaneda F, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID4074988 CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones SP$SAMPLE: Theobroma cacao AC$INSTRUMENT: Agilent (Waldbronn, Germany) Model 1100; API 3000 triple-quadrupole mass spectrometer (Perkin-Elmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000421.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000421.txt index 19d3531d55b..0a8e29f1f4c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000421.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000421.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000421 -RECORD_TITLE: Apigenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Apigenin; LC-ESI-QQQ; MS2 DATE: 2006.04.20 AUTHORS: Sanchez-Rabaneda F, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID6022391 CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones SP$SAMPLE: Theobroma cacao AC$INSTRUMENT: Agilent (Waldbronn, Germany) Model 1100; API 3000 triple-quadrupole mass spectrometer (Perkin-Elmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000422.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000422.txt index f7c9f9fae5d..d1bcf717561 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000422.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000422.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000422 -RECORD_TITLE: Kaempferol; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol; LC-ESI-QQQ; MS2 DATE: 2006.04.20 AUTHORS: Sanchez-Rabaneda F, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID7020768 CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones SP$SAMPLE: Theobroma cacao AC$INSTRUMENT: Agilent (Waldbronn, Germany) Model 1100; API 3000 triple-quadrupole mass spectrometer (Perkin-Elmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000423.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000423.txt index 1949f72a442..4ead5116190 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000423.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000423.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000423 -RECORD_TITLE: Amentoflavone; LC-ESI-QQ; MS2 +RECORD_TITLE: Amentoflavone; LC-ESI-QQQ; MS2 DATE: 2006.04.20 AUTHORS: Sanchez-Rabaneda F, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID20167225 CH$LINK: ChemOnt CHEMONTID:0001586; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Biflavonoids and polyflavonoids SP$SAMPLE: Theobroma cacao AC$INSTRUMENT: Agilent (Waldbronn, Germany) Model 1100; API 3000 triple-quadrupole mass spectrometer (Perkin-Elmer Sciex, Concord, ON, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000802.txt index 41a9b18d6be..fb5b29f79ef 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000802 -RECORD_TITLE: Taxinine A; LC-ESI-QQ; MS2 +RECORD_TITLE: Taxinine A; LC-ESI-QQQ; MS2 DATE: 2006.04.26 AUTHORS: Madhusudanan KP, Chattopadhyay SK, Tripathi V, Sashidhara KV, & Kumar S LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:11081282 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids SP$SAMPLE: Taxus wallichiana AC$INSTRUMENT: Micromass (Altrincham, UK) QuattroII triple-quadrupole mass spectrometer, JASCO(Tokyo, Japan) model 980 LC -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000808.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000808.txt index 7780f32fa29..f45cc8d37fc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000808.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000808 -RECORD_TITLE: Taxuspine F; LC-ESI-QQ; MS2 +RECORD_TITLE: Taxuspine F; LC-ESI-QQQ; MS2 DATE: 2006.04.26 AUTHORS: Madhusudanan KP, Chattopadhyay SK, Tripathi V, Sashidhara KV, & Kumar S LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:44567149 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids SP$SAMPLE: Taxus wallichiana AC$INSTRUMENT: Micromass (Altrincham, UK) QuattroII triple-quadrupole mass spectrometer, JASCO(Tokyo, Japan) model 980 LC -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000810.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000810.txt index 7dadf15c3a9..a30313dc6e7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000810.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000810.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000810 -RECORD_TITLE: 10-Deacetyl baccatin III; LC-ESI-QQ; MS2 +RECORD_TITLE: 10-Deacetyl baccatin III; LC-ESI-QQQ; MS2 DATE: 2006.04.26 AUTHORS: Madhusudanan KP, Chattopadhyay SK, Tripathi V, Sashidhara KV, & Kumar S LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:154272 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids SP$SAMPLE: Taxus wallichiana AC$INSTRUMENT: Micromass (Altrincham, UK) QuattroII triple-quadrupole mass spectrometer, JASCO(Tokyo, Japan) model 980 LC -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000811.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000811.txt index 7e128ddccea..42e48c38bc5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000811.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000811.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000811 -RECORD_TITLE: Taxchinin G; LC-ESI-QQ; MS2 +RECORD_TITLE: Taxchinin G; LC-ESI-QQQ; MS2 DATE: 2006.04.26 AUTHORS: Madhusudanan KP, Chattopadhyay SK, Tripathi V, Sashidhara KV, & Kumar S LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:5321680 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids SP$SAMPLE: Taxus wallichiana AC$INSTRUMENT: Micromass (Altrincham, UK) QuattroII triple-quadrupole mass spectrometer, JASCO(Tokyo, Japan) model 980 LC -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000812.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000812.txt index 9cd7b85e069..c8826f15932 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000812.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000812.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000812 -RECORD_TITLE: Brevifoliol; LC-ESI-QQ; MS2 +RECORD_TITLE: Brevifoliol; LC-ESI-QQQ; MS2 DATE: 2006.04.26 AUTHORS: Madhusudanan KP, Chattopadhyay SK, Tripathi V, Sashidhara KV, & Kumar S LICENSE: CC BY-NC @@ -20,7 +20,7 @@ CH$LINK: COMPTOX DTXSID40928835 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids SP$SAMPLE: Taxus wallichiana AC$INSTRUMENT: Micromass (Altrincham, UK) QuattroII triple-quadrupole mass spectrometer, JASCO(Tokyo, Japan) model 980 LC -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000816.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000816.txt index f7f27e4d38d..135f17c6c71 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000816.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000816.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000816 -RECORD_TITLE: Baccatin III; LC-ESI-QQ; MS2 +RECORD_TITLE: Baccatin III; LC-ESI-QQQ; MS2 DATE: 2006.04.26 AUTHORS: Madhusudanan KP, Chattopadhyay SK, Tripathi V, Sashidhara KV, & Kumar S LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:65366 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids SP$SAMPLE: Taxus wallichiana AC$INSTRUMENT: Micromass (Altrincham, UK) QuattroII triple-quadrupole mass spectrometer, JASCO(Tokyo, Japan) model 980 LC -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000820.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000820.txt index f947c92c416..6fc960030ff 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000820.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000820.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000820 -RECORD_TITLE: 2-Deacetoxy taxinine B; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Deacetoxy taxinine B; LC-ESI-QQQ; MS2 DATE: 2006.04.26 AUTHORS: Madhusudanan KP, Chattopadhyay SK, Tripathi V, Sashidhara KV, & Kumar S LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:6442229 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids SP$SAMPLE: Taxus wallichiana AC$INSTRUMENT: Micromass (Altrincham, UK) QuattroII triple-quadrupole mass spectrometer, JASCO(Tokyo, Japan) model 980 LC -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000825.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000825.txt index a6bb66de386..1ceb699e2a5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000825.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000825.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000825 -RECORD_TITLE: Taxayuntin E; LC-ESI-QQ; MS2 +RECORD_TITLE: Taxayuntin E; LC-ESI-QQQ; MS2 DATE: 2006.04.26 AUTHORS: Madhusudanan KP, Chattopadhyay SK, Tripathi V, Sashidhara KV, & Kumar S LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:5321669 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids SP$SAMPLE: Taxus wallichiana AC$INSTRUMENT: Micromass (Altrincham, UK) QuattroII triple-quadrupole mass spectrometer, JASCO(Tokyo, Japan) model 980 LC -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000828.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000828.txt index bde1cb5f387..9ba9b2e4fcf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000828.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000828.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000828 -RECORD_TITLE: Baccatin iV; LC-ESI-QQ; MS2 +RECORD_TITLE: Baccatin iV; LC-ESI-QQQ; MS2 DATE: 2006.04.26 AUTHORS: Madhusudanan KP, Chattopadhyay SK, Tripathi V, Sashidhara KV, & Kumar S LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:15275710 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids SP$SAMPLE: Taxus wallichiana AC$INSTRUMENT: Micromass (Altrincham, UK) QuattroII triple-quadrupole mass spectrometer, JASCO(Tokyo, Japan) model 980 LC -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000831.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000831.txt index 08c4dcaa692..af087df7f62 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000831.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000831.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000831 -RECORD_TITLE: Taxinine B; LC-ESI-QQ; MS2 +RECORD_TITLE: Taxinine B; LC-ESI-QQQ; MS2 DATE: 2006.04.26 AUTHORS: Madhusudanan KP, Chattopadhyay SK, Tripathi V, Sashidhara KV, & Kumar S LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:10055179 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids SP$SAMPLE: Taxus wallichiana AC$INSTRUMENT: Micromass (Altrincham, UK) QuattroII triple-quadrupole mass spectrometer, JASCO(Tokyo, Japan) model 980 LC -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000841.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000841.txt index 93c78023580..3b5079a15d9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000841.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000841.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000841 -RECORD_TITLE: Taxuspine D; LC-ESI-QQ; MS2 +RECORD_TITLE: Taxuspine D; LC-ESI-QQQ; MS2 DATE: 2006.04.26 AUTHORS: Madhusudanan KP, Chattopadhyay SK, Tripathi V, Sashidhara KV, & Kumar S LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:5321746 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids SP$SAMPLE: Taxus wallichiana AC$INSTRUMENT: Micromass (Altrincham, UK) QuattroII triple-quadrupole mass spectrometer, JASCO(Tokyo, Japan) model 980 LC -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000843.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000843.txt index 66e230a327e..87477bb23c1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000843.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000843.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000843 -RECORD_TITLE: Taxuspine A; LC-ESI-QQ; MS2 +RECORD_TITLE: Taxuspine A; LC-ESI-QQQ; MS2 DATE: 2006.04.26 AUTHORS: Madhusudanan KP, Chattopadhyay SK, Tripathi V, Sashidhara KV, & Kumar S LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:10417482 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids SP$SAMPLE: Taxus wallichiana AC$INSTRUMENT: Micromass (Altrincham, UK) QuattroII triple-quadrupole mass spectrometer, JASCO(Tokyo, Japan) model 980 LC -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000849.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000849.txt index a44639e8b2f..42f3218192c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000849.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000849.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000849 -RECORD_TITLE: Taxacin; LC-ESI-QQ; MS2 +RECORD_TITLE: Taxacin; LC-ESI-QQQ; MS2 DATE: 2006.04.26 AUTHORS: Madhusudanan KP, Chattopadhyay SK, Tripathi V, Sashidhara KV, & Kumar S LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:15226199 CH$LINK: ChemOnt CHEMONTID:0002967; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Hexacarboxylic acids and derivatives SP$SAMPLE: Taxus wallichiana AC$INSTRUMENT: Micromass (Altrincham, UK) QuattroII triple-quadrupole mass spectrometer, JASCO(Tokyo, Japan) model 980 LC -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000926.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000926.txt index 61aa6a227f7..bb704257363 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000926.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000926.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000926 -RECORD_TITLE: L-Ornithine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Ornithine; LC-ESI-QQQ; MS2 DATE: 2006.04.27 AUTHORS: Piraud M, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID00883219 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues SP$SAMPLE: authentic sample AC$INSTRUMENT: API 2000 ESI-MS/MS system triple quadrupole mass spectrometer (Sciex Applied Biosystems, Toronto, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000927.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000927.txt index 4dfa62a2c5d..d6c72a34431 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000927.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000927.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000927 -RECORD_TITLE: L-Asparagine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Asparagine; LC-ESI-QQQ; MS2 DATE: 2006.04.27 AUTHORS: Piraud M, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID10883220 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues SP$SAMPLE: authentic sample AC$INSTRUMENT: API 2000 ESI-MS/MS system triple quadrupole mass spectrometer (Sciex Applied Biosystems, Toronto, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000928.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000928.txt index f4a515f7f90..d2965edc281 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000928.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000928.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000928 -RECORD_TITLE: Glycyl-glycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycyl-glycine; LC-ESI-QQQ; MS2 DATE: 2006.04.27 AUTHORS: Piraud M, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID90862194 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues SP$SAMPLE: authentic sample AC$INSTRUMENT: API 2000 ESI-MS/MS system triple quadrupole mass spectrometer (Sciex Applied Biosystems, Toronto, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000931.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000931.txt index 0c788acb7f9..3529fa32cab 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000931.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000931.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000931 -RECORD_TITLE: L-Glutamine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Glutamine; LC-ESI-QQQ; MS2 DATE: 2006.04.27 AUTHORS: Piraud M, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID1023100 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues SP$SAMPLE: authentic sample AC$INSTRUMENT: API 2000 ESI-MS/MS system triple quadrupole mass spectrometer (Sciex Applied Biosystems, Toronto, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000932.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000932.txt index 19eaa521358..1c53d8bdd6c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000932.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000932.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000932 -RECORD_TITLE: L-Lysine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Lysine; LC-ESI-QQQ; MS2 DATE: 2006.04.27 AUTHORS: Piraud M, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID6023232 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues SP$SAMPLE: authentic sample AC$INSTRUMENT: API 2000 ESI-MS/MS system triple quadrupole mass spectrometer (Sciex Applied Biosystems, Toronto, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000935.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000935.txt index 8e8b46c2e50..8f911d43252 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000935.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000935.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000935 -RECORD_TITLE: L-Histidine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Histidine; LC-ESI-QQQ; MS2 DATE: 2006.04.27 AUTHORS: Piraud M, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID9023126 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues SP$SAMPLE: authentic sample AC$INSTRUMENT: API 2000 ESI-MS/MS system triple quadrupole mass spectrometer (Sciex Applied Biosystems, Toronto, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000937.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000937.txt index a6bde1eeccd..109ea5375cf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000937.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000937.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000937 -RECORD_TITLE: 5-Hydroxy-L-lysine; LC-ESI-QQ; MS2 +RECORD_TITLE: 5-Hydroxy-L-lysine; LC-ESI-QQQ; MS2 DATE: 2006.04.27 AUTHORS: Piraud M, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:3032849 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues SP$SAMPLE: authentic sample AC$INSTRUMENT: API 2000 ESI-MS/MS system triple quadrupole mass spectrometer (Sciex Applied Biosystems, Toronto, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000943.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000943.txt index 51aa5b18749..f46a9fc2ca0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000943.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000943.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000943 -RECORD_TITLE: N1-methyl-L-histidine; LC-ESI-QQ; MS2 +RECORD_TITLE: N1-methyl-L-histidine; LC-ESI-QQQ; MS2 DATE: 2006.04.27 AUTHORS: Piraud M, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID50186848 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues SP$SAMPLE: authentic sample AC$INSTRUMENT: API 2000 ESI-MS/MS system triple quadrupole mass spectrometer (Sciex Applied Biosystems, Toronto, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000944.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000944.txt index 42b8e3faecd..3506b96708a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000944.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000944.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000944 -RECORD_TITLE: Glycyl-L-proline; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycyl-L-proline; LC-ESI-QQQ; MS2 DATE: 2006.04.27 AUTHORS: Piraud M, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:3013625 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues SP$SAMPLE: authentic sample AC$INSTRUMENT: API 2000 ESI-MS/MS system triple quadrupole mass spectrometer (Sciex Applied Biosystems, Toronto, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000946.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000946.txt index 255efacbe4f..b5fbf52ae88 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000946.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000946.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000946 -RECORD_TITLE: L-Arginine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Arginine; LC-ESI-QQQ; MS2 DATE: 2006.04.27 AUTHORS: Piraud M, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID6041056 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues SP$SAMPLE: authentic sample AC$INSTRUMENT: API 2000 ESI-MS/MS system triple quadrupole mass spectrometer (Sciex Applied Biosystems, Toronto, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000947.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000947.txt index 905a79c3f25..47943473258 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000947.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000947.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000947 -RECORD_TITLE: Formimino-L-glutamic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Formimino-L-glutamic acid; LC-ESI-QQQ; MS2 DATE: 2006.04.27 AUTHORS: Piraud M, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:439233 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues SP$SAMPLE: authentic sample AC$INSTRUMENT: API 2000 ESI-MS/MS system triple quadrupole mass spectrometer (Sciex Applied Biosystems, Toronto, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000948.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000948.txt index cc9641d714e..f990cda9665 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000948.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000948.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000948 -RECORD_TITLE: N-acetyl-L-ornithine; LC-ESI-QQ; MS2 +RECORD_TITLE: N-acetyl-L-ornithine; LC-ESI-QQQ; MS2 DATE: 2006.04.27 AUTHORS: Piraud M, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID80331400 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues SP$SAMPLE: authentic sample AC$INSTRUMENT: API 2000 ESI-MS/MS system triple quadrupole mass spectrometer (Sciex Applied Biosystems, Toronto, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000949.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000949.txt index b5b53f77530..76e3868600b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000949.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000949.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000949 -RECORD_TITLE: L-Citrulline; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Citrulline; LC-ESI-QQQ; MS2 DATE: 2006.04.27 AUTHORS: Piraud M, et al. LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: COMPTOX DTXSID80883373 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues SP$SAMPLE: authentic sample AC$INSTRUMENT: API 2000 ESI-MS/MS system triple quadrupole mass spectrometer (Sciex Applied Biosystems, Toronto, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000953.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000953.txt index ee977dce957..3c8b064a3e5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000953.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000953.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000953 -RECORD_TITLE: Ne-acetyl-L-lysine; LC-ESI-QQ; MS2 +RECORD_TITLE: Ne-acetyl-L-lysine; LC-ESI-QQQ; MS2 DATE: 2006.04.27 AUTHORS: Piraud M, et al. LICENSE: CC BY-NC @@ -17,7 +17,7 @@ CH$LINK: PUBCHEM CID:92832 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues SP$SAMPLE: authentic sample AC$INSTRUMENT: API 2000 ESI-MS/MS system triple quadrupole mass spectrometer (Sciex Applied Biosystems, Toronto, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000954.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000954.txt index 053393c593e..144c76c38f7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000954.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM000954.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM000954 -RECORD_TITLE: L-Homocitrulline; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Homocitrulline; LC-ESI-QQQ; MS2 DATE: 2006.04.27 AUTHORS: Piraud M, et al. LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:65072 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues SP$SAMPLE: authentic sample AC$INSTRUMENT: API 2000 ESI-MS/MS system triple quadrupole mass spectrometer (Sciex Applied Biosystems, Toronto, Canada) -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM003604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM003604.txt index 9c19beadfc4..01bd8c3f0ca 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM003604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM003604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM003604 -RECORD_TITLE: Ginsenoside Rd; LC-ESI-QQ; MS2 +RECORD_TITLE: Ginsenoside Rd; LC-ESI-QQQ; MS2 DATE: 2006.07.19 AUTHORS: Wang X, Sakuma T, Asafu-Adjaye E, & Shiu GK LICENSE: CC BY-NC @@ -18,7 +18,7 @@ CH$LINK: PUBCHEM CID:11679800 CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides SP$SAMPLE: authentic sample AC$INSTRUMENT: Perkin-Elmer Sciex API 365 and 3000 triple-quadrupole mass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM003605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM003605.txt index 28706ee6cd6..289f11c2e97 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM003605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PM003605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PM003605 -RECORD_TITLE: Ginsenoside Re; LC-ESI-QQ; MS2 +RECORD_TITLE: Ginsenoside Re; LC-ESI-QQQ; MS2 DATE: 2006.07.19 AUTHORS: Wang X, Sakuma T, Asafu-Adjaye E, & Shiu GK LICENSE: CC BY-NC @@ -19,7 +19,7 @@ CH$LINK: PUBCHEM CID:441921 CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides SP$SAMPLE: authentic sample AC$INSTRUMENT: Perkin-Elmer Sciex API 365 and 3000 triple-quadrupole mass -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000101.txt index c00bf1b955a..ff76d5f2a13 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS000101 -RECORD_TITLE: 1,3-Propanediamine dihydrochloride, 1,3-Diaminopropane dihydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,3-Propanediamine dihydrochloride, 1,3-Diaminopropane dihydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY XFNJVJPLKCPIBV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021906 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000102.txt index 3dc5f1796ba..b76809f7d9a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS000102 -RECORD_TITLE: 1,3-Propanediamine dihydrochloride, 1,3-Diaminopropane dihydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,3-Propanediamine dihydrochloride, 1,3-Diaminopropane dihydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY XFNJVJPLKCPIBV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021906 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000206.txt index 759e1fe3a8d..10e729a9548 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS000206 -RECORD_TITLE: 2,5-Dihydroxydioxane-2,5-dimethanol, 1,3-Dihydroxy-2-propanone Dimer, 1,3-Dihydroxyacetone dimer; LC-ESI-QQ; MS2 +RECORD_TITLE: 2,5-Dihydroxydioxane-2,5-dimethanol, 1,3-Dihydroxy-2-propanone Dimer, 1,3-Dihydroxyacetone dimer; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY KEQUNHIAUQQPAC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6040165 CH$LINK: ChemOnt CHEMONTID:0001313; Organic compounds; Organoheterocyclic compounds; Dioxanes; 1,4-dioxanes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000401.txt index a4b077dbc91..edfad42beaf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS000401 -RECORD_TITLE: Cycloleucine, Cycloleucin, 1-Amino-1-cyclopentanecarboxylic acid, acpc; LC-ESI-QQ; MS2 +RECORD_TITLE: Cycloleucine, Cycloleucin, 1-Amino-1-cyclopentanecarboxylic acid, acpc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY NILQLFBWTXNUOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024475 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000402.txt index 8c05520144c..c5ebc6dadb7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS000402 -RECORD_TITLE: Cycloleucine, Cycloleucin, 1-Amino-1-cyclopentanecarboxylic acid, acpc; LC-ESI-QQ; MS2 +RECORD_TITLE: Cycloleucine, Cycloleucin, 1-Amino-1-cyclopentanecarboxylic acid, acpc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY NILQLFBWTXNUOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024475 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000403.txt index 0a54db3693f..426b1f70c0b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS000403 -RECORD_TITLE: Cycloleucine, Cycloleucin, 1-Amino-1-cyclopentanecarboxylic acid, acpc; LC-ESI-QQ; MS2 +RECORD_TITLE: Cycloleucine, Cycloleucin, 1-Amino-1-cyclopentanecarboxylic acid, acpc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY NILQLFBWTXNUOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024475 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000404.txt index 17c3c7644f7..efa0b6b6f71 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS000404 -RECORD_TITLE: Cycloleucine, Cycloleucin, 1-Amino-1-cyclopentanecarboxylic acid, acpc; LC-ESI-QQ; MS2 +RECORD_TITLE: Cycloleucine, Cycloleucin, 1-Amino-1-cyclopentanecarboxylic acid, acpc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY NILQLFBWTXNUOE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5024475 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000504.txt index 1811f993f7e..6a92c2621e2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS000504 -RECORD_TITLE: Quinolinic acid, 2,3-Pyridinedicarboxylic acid, Quinolinate; LC-ESI-QQ; MS2 +RECORD_TITLE: Quinolinic acid, 2,3-Pyridinedicarboxylic acid, Quinolinate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY GJAWHXHKYYXBSV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8041327 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000601.txt index 4e534752f07..36c700b5a4c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS000601 -RECORD_TITLE: Ferulaldehyde, 4-Hydroxy-3-methoxycinnamaldehyde, Coniferaldehyde, Coniferyl aldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Ferulaldehyde, 4-Hydroxy-3-methoxycinnamaldehyde, Coniferaldehyde, Coniferyl aldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY DKZBBWMURDFHNE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075047 CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000602.txt index ac8d82ec859..155e2d3bcb7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS000602 -RECORD_TITLE: Ferulaldehyde, 4-Hydroxy-3-methoxycinnamaldehyde, Coniferaldehyde, Coniferyl aldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Ferulaldehyde, 4-Hydroxy-3-methoxycinnamaldehyde, Coniferaldehyde, Coniferyl aldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY DKZBBWMURDFHNE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075047 CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000607.txt index df570baa580..9759d46962d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS000607 -RECORD_TITLE: Ferulaldehyde, 4-Hydroxy-3-methoxycinnamaldehyde, Coniferaldehyde, Coniferyl aldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Ferulaldehyde, 4-Hydroxy-3-methoxycinnamaldehyde, Coniferaldehyde, Coniferyl aldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY DKZBBWMURDFHNE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075047 CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000608.txt index 4c9107cdf11..4b9995d6a3d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS000608 -RECORD_TITLE: Ferulaldehyde, 4-Hydroxy-3-methoxycinnamaldehyde, Coniferaldehyde, Coniferyl aldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Ferulaldehyde, 4-Hydroxy-3-methoxycinnamaldehyde, Coniferaldehyde, Coniferyl aldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY DKZBBWMURDFHNE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075047 CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000609.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000609.txt index dfb81112cd7..fe6d788ab00 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000609.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000609.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS000609 -RECORD_TITLE: Ferulaldehyde, 4-Hydroxy-3-methoxycinnamaldehyde, Coniferaldehyde, Coniferyl aldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Ferulaldehyde, 4-Hydroxy-3-methoxycinnamaldehyde, Coniferaldehyde, Coniferyl aldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY DKZBBWMURDFHNE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075047 CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000702.txt index 46dd427f005..f173d9572b5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS000702 -RECORD_TITLE: p-hydroxyphenylpyruvate, HPPA, Testacid, 4-Hydroxyphenylpyruvic acid, 3-(4-Hydroxyphenyl)-2-oxopropanoic acid, Testacide; LC-ESI-QQ; MS2 +RECORD_TITLE: p-hydroxyphenylpyruvate, HPPA, Testacid, 4-Hydroxyphenylpyruvic acid, 3-(4-Hydroxyphenyl)-2-oxopropanoic acid, Testacide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY KKADPXVIOXHVKN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80166017 CH$LINK: ChemOnt CHEMONTID:0001276; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpyruvic acid derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000801.txt index 4df3c178f85..7e937ad28ff 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS000801 -RECORD_TITLE: Phenylmethanal, Benzoic aldehyde, Benzaldehyde, Benzenecarbonal, Almond artificial essential oil, Benzoyl hydride, Formylbenzene; LC-ESI-QQ; MS2 +RECORD_TITLE: Phenylmethanal, Benzoic aldehyde, Benzaldehyde, Benzenecarbonal, Almond artificial essential oil, Benzoyl hydride, Formylbenzene; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: INCHIKEY HUMNYLRZRPPJDN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8039241 CH$LINK: ChemOnt CHEMONTID:0000321; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000901.txt index 9d74e5bcc3d..e4438e11897 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS000901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS000901 -RECORD_TITLE: trans-Cinnamyl alcohol, Styryl alcohol, Zimtalcohol, Styrone, (E)-cinnamyl alcohol, cinnamic alcohol, Cinnamyl alcohol, 3-Phenyl-2-propenol, Styrylcarbinol, 3-Phenylallyl alcohol, Styryl carbinol, 3-Phenyl-2-propen-1-ol; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-Cinnamyl alcohol, Styryl alcohol, Zimtalcohol, Styrone, (E)-cinnamyl alcohol, cinnamic alcohol, Cinnamyl alcohol, 3-Phenyl-2-propenol, Styrylcarbinol, 3-Phenylallyl alcohol, Styryl carbinol, 3-Phenyl-2-propen-1-ol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: INCHIKEY OOCCDEMITAIZTP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9041491 CH$LINK: ChemOnt CHEMONTID:0002754; Organic compounds; Phenylpropanoids and polyketides; Cinnamyl alcohols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001007.txt index 76a5196858f..80216a22c0f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001007 -RECORD_TITLE: Hydrocerol A, 2-Hydroxy-1,2,3-propanetricarboxylic acid, Citretten, 2-Hydroxypropanetricarboxylic Acid, citrate, Citro, Aciletten, Citric acid,Anhydrous, citr, Chemfill; LC-ESI-QQ; MS2 +RECORD_TITLE: Hydrocerol A, 2-Hydroxy-1,2,3-propanetricarboxylic acid, Citretten, 2-Hydroxypropanetricarboxylic Acid, citrate, Citro, Aciletten, Citric acid,Anhydrous, citr, Chemfill; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: INCHIKEY KRKNYBCHXYNGOX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020332 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001101.txt index dc15a7b9d58..8423e3f9772 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001101 -RECORD_TITLE: Ferulic acid, 4-Hydroxy-3-methoxycinnamic acid, trans-ferulate, 3-Methoxy-4-hydroxy-trans-cinnamate; LC-ESI-QQ; MS2 +RECORD_TITLE: Ferulic acid, 4-Hydroxy-3-methoxycinnamic acid, trans-ferulate, 3-Methoxy-4-hydroxy-trans-cinnamate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY KSEBMYQBYZTDHS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5040673 CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001102.txt index 27faedceeab..a7017b74b58 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001102 -RECORD_TITLE: Ferulic acid, 4-Hydroxy-3-methoxycinnamic acid, trans-ferulate, 3-Methoxy-4-hydroxy-trans-cinnamate; LC-ESI-QQ; MS2 +RECORD_TITLE: Ferulic acid, 4-Hydroxy-3-methoxycinnamic acid, trans-ferulate, 3-Methoxy-4-hydroxy-trans-cinnamate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY KSEBMYQBYZTDHS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5040673 CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001103.txt index ca1e1497c80..4348c1ff59b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001103 -RECORD_TITLE: Ferulic acid, 4-Hydroxy-3-methoxycinnamic acid, trans-ferulate, 3-Methoxy-4-hydroxy-trans-cinnamate; LC-ESI-QQ; MS2 +RECORD_TITLE: Ferulic acid, 4-Hydroxy-3-methoxycinnamic acid, trans-ferulate, 3-Methoxy-4-hydroxy-trans-cinnamate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY KSEBMYQBYZTDHS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5040673 CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001201.txt index 6935d66caad..c1fc4c98aaf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001201 -RECORD_TITLE: (2S,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol, L-Iditol; LC-ESI-QQ; MS2 +RECORD_TITLE: (2S,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol, L-Iditol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5460044 CH$LINK: INCHIKEY FBPFZTCFMRRESA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001207.txt index 9c272217c74..cf53ae49bc1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001207 -RECORD_TITLE: (2S,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol, L-Iditol; LC-ESI-QQ; MS2 +RECORD_TITLE: (2S,3R,4R,5S)-hexane-1,2,3,4,5,6-hexol, L-Iditol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5460044 CH$LINK: INCHIKEY FBPFZTCFMRRESA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001301.txt index eec56092bc8..e9e566edbec 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001301 -RECORD_TITLE: N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine, Isopentenyladenosine, 6-(gamma,gamma-Dimethylallylamino)purine riboside, 2iP Riboside, 2iPA, N-6-(delta-2-Isopentenyl)adenosine hemihydrate, Dimethylallyladenosine, Isopentenyl adenine riboside, N-Isopentenyladenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine, Isopentenyladenosine, 6-(gamma,gamma-Dimethylallylamino)purine riboside, 2iP Riboside, 2iPA, N-6-(delta-2-Isopentenyl)adenosine hemihydrate, Dimethylallyladenosine, Isopentenyl adenine riboside, N-Isopentenyladenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:24405 CH$LINK: INCHIKEY USVMJSALORZVDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001302.txt index fc27146d94a..1469f3a1533 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001302 -RECORD_TITLE: N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine, Isopentenyladenosine, 6-(gamma,gamma-Dimethylallylamino)purine riboside, 2iP Riboside, 2iPA, N-6-(delta-2-Isopentenyl)adenosine hemihydrate, Dimethylallyladenosine, Isopentenyl adenine riboside, N-Isopentenyladenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine, Isopentenyladenosine, 6-(gamma,gamma-Dimethylallylamino)purine riboside, 2iP Riboside, 2iPA, N-6-(delta-2-Isopentenyl)adenosine hemihydrate, Dimethylallyladenosine, Isopentenyl adenine riboside, N-Isopentenyladenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:24405 CH$LINK: INCHIKEY USVMJSALORZVDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001303.txt index 315289f8380..2d0a3f1066e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001303 -RECORD_TITLE: N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine, Isopentenyladenosine, 6-(gamma,gamma-Dimethylallylamino)purine riboside, 2iP Riboside, 2iPA, N-6-(delta-2-Isopentenyl)adenosine hemihydrate, Dimethylallyladenosine, Isopentenyl adenine riboside, N-Isopentenyladenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine, Isopentenyladenosine, 6-(gamma,gamma-Dimethylallylamino)purine riboside, 2iP Riboside, 2iPA, N-6-(delta-2-Isopentenyl)adenosine hemihydrate, Dimethylallyladenosine, Isopentenyl adenine riboside, N-Isopentenyladenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:24405 CH$LINK: INCHIKEY USVMJSALORZVDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001304.txt index 42876b20baf..a20fa68afe5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001304 -RECORD_TITLE: N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine, Isopentenyladenosine, 6-(gamma,gamma-Dimethylallylamino)purine riboside, 2iP Riboside, 2iPA, N-6-(delta-2-Isopentenyl)adenosine hemihydrate, Dimethylallyladenosine, Isopentenyl adenine riboside, N-Isopentenyladenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine, Isopentenyladenosine, 6-(gamma,gamma-Dimethylallylamino)purine riboside, 2iP Riboside, 2iPA, N-6-(delta-2-Isopentenyl)adenosine hemihydrate, Dimethylallyladenosine, Isopentenyl adenine riboside, N-Isopentenyladenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:24405 CH$LINK: INCHIKEY USVMJSALORZVDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001305.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001305.txt index 83fe9e52ab1..f9fbc000f96 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001305.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001305 -RECORD_TITLE: N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine, Isopentenyladenosine, 6-(gamma,gamma-Dimethylallylamino)purine riboside, 2iP Riboside, 2iPA, N-6-(delta-2-Isopentenyl)adenosine hemihydrate, Dimethylallyladenosine, Isopentenyl adenine riboside, N-Isopentenyladenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine, Isopentenyladenosine, 6-(gamma,gamma-Dimethylallylamino)purine riboside, 2iP Riboside, 2iPA, N-6-(delta-2-Isopentenyl)adenosine hemihydrate, Dimethylallyladenosine, Isopentenyl adenine riboside, N-Isopentenyladenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:24405 CH$LINK: INCHIKEY USVMJSALORZVDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001306.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001306.txt index 16fdee19281..1e365c435d3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001306.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001306.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001306 -RECORD_TITLE: N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine, Isopentenyladenosine, 6-(gamma,gamma-Dimethylallylamino)purine riboside, 2iP Riboside, 2iPA, N-6-(delta-2-Isopentenyl)adenosine hemihydrate, Dimethylallyladenosine, Isopentenyl adenine riboside, N-Isopentenyladenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine, Isopentenyladenosine, 6-(gamma,gamma-Dimethylallylamino)purine riboside, 2iP Riboside, 2iPA, N-6-(delta-2-Isopentenyl)adenosine hemihydrate, Dimethylallyladenosine, Isopentenyl adenine riboside, N-Isopentenyladenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:24405 CH$LINK: INCHIKEY USVMJSALORZVDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001401.txt index 3a1dca1afd0..8904bb7d2f3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001401 -RECORD_TITLE: (R)-4-(2-Amino-1-hydroxyethyl)-1,2-benzenediol, (-)-Noradrenaline, Levarterenol, Levophed, Adrenor, (-)-Norepinephrine, L-Arterenol; LC-ESI-QQ; MS2 +RECORD_TITLE: (R)-4-(2-Amino-1-hydroxyethyl)-1,2-benzenediol, (-)-Noradrenaline, Levarterenol, Levophed, Adrenor, (-)-Norepinephrine, L-Arterenol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:439260 CH$LINK: INCHIKEY SFLSHLFXELFNJZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001402.txt index 16d373c43d7..5c90f2afd42 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001402 -RECORD_TITLE: (R)-4-(2-Amino-1-hydroxyethyl)-1,2-benzenediol, (-)-Noradrenaline, Levarterenol, Levophed, Adrenor, (-)-Norepinephrine, L-Arterenol; LC-ESI-QQ; MS2 +RECORD_TITLE: (R)-4-(2-Amino-1-hydroxyethyl)-1,2-benzenediol, (-)-Noradrenaline, Levarterenol, Levophed, Adrenor, (-)-Norepinephrine, L-Arterenol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:439260 CH$LINK: INCHIKEY SFLSHLFXELFNJZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001406.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001406.txt index 3b00a1b59c3..42c7a7b90af 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001406.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001406.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001406 -RECORD_TITLE: (R)-4-(2-Amino-1-hydroxyethyl)-1,2-benzenediol, (-)-Noradrenaline, Levarterenol, Levophed, Adrenor, (-)-Norepinephrine, L-Arterenol; LC-ESI-QQ; MS2 +RECORD_TITLE: (R)-4-(2-Amino-1-hydroxyethyl)-1,2-benzenediol, (-)-Noradrenaline, Levarterenol, Levophed, Adrenor, (-)-Norepinephrine, L-Arterenol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:439260 CH$LINK: INCHIKEY SFLSHLFXELFNJZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001507.txt index a4a71e94e08..0622ce71d22 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001507 -RECORD_TITLE: (-)Shikimic acid, 3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid, shikimate, (3R,4S,5R)-(?)-3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (-)Shikimic acid, 3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid, shikimate, (3R,4S,5R)-(?)-3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:8742 CH$LINK: INCHIKEY JXOHGGNKMLTUBP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001601.txt index fe695352d8a..3222e884839 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001601 -RECORD_TITLE: (+-)-3-Methyl-2-oxovaleric acid sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: (+-)-3-Methyl-2-oxovaleric acid sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY JVQYSWDUAOAHFM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50862670 CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001602.txt index 4ea51888930..d4fffaac1de 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001602 -RECORD_TITLE: (+-)-3-Methyl-2-oxovaleric acid sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: (+-)-3-Methyl-2-oxovaleric acid sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY JVQYSWDUAOAHFM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50862670 CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001603.txt index 9a09a86ce7f..047654c5705 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001603 -RECORD_TITLE: (+-)-3-Methyl-2-oxovaleric acid sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: (+-)-3-Methyl-2-oxovaleric acid sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY JVQYSWDUAOAHFM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50862670 CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001607.txt index 373410a2087..55fd225c26a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001607 -RECORD_TITLE: (+-)-3-Methyl-2-oxovaleric acid sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: (+-)-3-Methyl-2-oxovaleric acid sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY JVQYSWDUAOAHFM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50862670 CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001701.txt index b23088e8d62..9caa8b73c94 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001701 -RECORD_TITLE: Baclon, Kemstro, (+-)-Baclofen, beta-(Aminomethyl)-p-chlorohydrocinnamic acid, Lioresal, (+/-)-beta-(Aminomethyl)-4-chlorobenzenepropanoic acid, gamma-amino-beta-(p-chlorophenyl)butyric acid, Gabalon; LC-ESI-QQ; MS2 +RECORD_TITLE: Baclon, Kemstro, (+-)-Baclofen, beta-(Aminomethyl)-p-chlorohydrocinnamic acid, Lioresal, (+/-)-beta-(Aminomethyl)-4-chlorobenzenepropanoic acid, gamma-amino-beta-(p-chlorophenyl)butyric acid, Gabalon; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: INCHIKEY KPYSYYIEGFHWSV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022641 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001702.txt index 0b0e3620872..d6175fa5059 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001702 -RECORD_TITLE: Baclon, Kemstro, (+-)-Baclofen, beta-(Aminomethyl)-p-chlorohydrocinnamic acid, Lioresal, (+/-)-beta-(Aminomethyl)-4-chlorobenzenepropanoic acid, gamma-amino-beta-(p-chlorophenyl)butyric acid, Gabalon; LC-ESI-QQ; MS2 +RECORD_TITLE: Baclon, Kemstro, (+-)-Baclofen, beta-(Aminomethyl)-p-chlorohydrocinnamic acid, Lioresal, (+/-)-beta-(Aminomethyl)-4-chlorobenzenepropanoic acid, gamma-amino-beta-(p-chlorophenyl)butyric acid, Gabalon; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: INCHIKEY KPYSYYIEGFHWSV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022641 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001703.txt index f5879b2f974..b8ada7c67b2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001703 -RECORD_TITLE: Baclon, Kemstro, (+-)-Baclofen, beta-(Aminomethyl)-p-chlorohydrocinnamic acid, Lioresal, (+/-)-beta-(Aminomethyl)-4-chlorobenzenepropanoic acid, gamma-amino-beta-(p-chlorophenyl)butyric acid, Gabalon; LC-ESI-QQ; MS2 +RECORD_TITLE: Baclon, Kemstro, (+-)-Baclofen, beta-(Aminomethyl)-p-chlorohydrocinnamic acid, Lioresal, (+/-)-beta-(Aminomethyl)-4-chlorobenzenepropanoic acid, gamma-amino-beta-(p-chlorophenyl)butyric acid, Gabalon; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: INCHIKEY KPYSYYIEGFHWSV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022641 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001706.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001706.txt index 836634b9b9f..4262bdf58c2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001706.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001706.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001706 -RECORD_TITLE: Baclon, Kemstro, (+-)-Baclofen, beta-(Aminomethyl)-p-chlorohydrocinnamic acid, Lioresal, (+/-)-beta-(Aminomethyl)-4-chlorobenzenepropanoic acid, gamma-amino-beta-(p-chlorophenyl)butyric acid, Gabalon; LC-ESI-QQ; MS2 +RECORD_TITLE: Baclon, Kemstro, (+-)-Baclofen, beta-(Aminomethyl)-p-chlorohydrocinnamic acid, Lioresal, (+/-)-beta-(Aminomethyl)-4-chlorobenzenepropanoic acid, gamma-amino-beta-(p-chlorophenyl)butyric acid, Gabalon; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: INCHIKEY KPYSYYIEGFHWSV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5022641 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001801.txt index b0a513c4340..bebb2e698cd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001801 -RECORD_TITLE: (+-)-alpha-Tocopherol, DL-all-rac-alpha-Tocopherol, Phytogermine, Profecundin, Denamone, Emipherol, Vitamin E, Almefrol, Waynecomycin, Syntopherol; LC-ESI-QQ; MS2 +RECORD_TITLE: (+-)-alpha-Tocopherol, DL-all-rac-alpha-Tocopherol, Phytogermine, Profecundin, Denamone, Emipherol, Vitamin E, Almefrol, Waynecomycin, Syntopherol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: INCHIKEY GVJHHUAWPYXKBD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021355 CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001802.txt index af1e70052c7..f0267666654 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001802 -RECORD_TITLE: (+-)-alpha-Tocopherol, DL-all-rac-alpha-Tocopherol, Phytogermine, Profecundin, Denamone, Emipherol, Vitamin E, Almefrol, Waynecomycin, Syntopherol; LC-ESI-QQ; MS2 +RECORD_TITLE: (+-)-alpha-Tocopherol, DL-all-rac-alpha-Tocopherol, Phytogermine, Profecundin, Denamone, Emipherol, Vitamin E, Almefrol, Waynecomycin, Syntopherol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: INCHIKEY GVJHHUAWPYXKBD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021355 CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001803.txt index 97e48b8bd3b..53cb983fe62 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001803 -RECORD_TITLE: (+-)-alpha-Tocopherol, DL-all-rac-alpha-Tocopherol, Phytogermine, Profecundin, Denamone, Emipherol, Vitamin E, Almefrol, Waynecomycin, Syntopherol; LC-ESI-QQ; MS2 +RECORD_TITLE: (+-)-alpha-Tocopherol, DL-all-rac-alpha-Tocopherol, Phytogermine, Profecundin, Denamone, Emipherol, Vitamin E, Almefrol, Waynecomycin, Syntopherol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: INCHIKEY GVJHHUAWPYXKBD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021355 CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001804.txt index a73aac2efb3..67ecb8f81c9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001804 -RECORD_TITLE: (+-)-alpha-Tocopherol, DL-all-rac-alpha-Tocopherol, Phytogermine, Profecundin, Denamone, Emipherol, Vitamin E, Almefrol, Waynecomycin, Syntopherol; LC-ESI-QQ; MS2 +RECORD_TITLE: (+-)-alpha-Tocopherol, DL-all-rac-alpha-Tocopherol, Phytogermine, Profecundin, Denamone, Emipherol, Vitamin E, Almefrol, Waynecomycin, Syntopherol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: INCHIKEY GVJHHUAWPYXKBD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021355 CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001805.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001805.txt index bb84cdd317b..5ec485709a6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001805.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001805 -RECORD_TITLE: (+-)-alpha-Tocopherol, DL-all-rac-alpha-Tocopherol, Phytogermine, Profecundin, Denamone, Emipherol, Vitamin E, Almefrol, Waynecomycin, Syntopherol; LC-ESI-QQ; MS2 +RECORD_TITLE: (+-)-alpha-Tocopherol, DL-all-rac-alpha-Tocopherol, Phytogermine, Profecundin, Denamone, Emipherol, Vitamin E, Almefrol, Waynecomycin, Syntopherol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: INCHIKEY GVJHHUAWPYXKBD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021355 CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001806.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001806.txt index f909e1d6ecb..9b55e90b135 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001806.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS001806.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS001806 -RECORD_TITLE: (+-)-alpha-Tocopherol, DL-all-rac-alpha-Tocopherol, Phytogermine, Profecundin, Denamone, Emipherol, Vitamin E, Almefrol, Waynecomycin, Syntopherol; LC-ESI-QQ; MS2 +RECORD_TITLE: (+-)-alpha-Tocopherol, DL-all-rac-alpha-Tocopherol, Phytogermine, Profecundin, Denamone, Emipherol, Vitamin E, Almefrol, Waynecomycin, Syntopherol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: INCHIKEY GVJHHUAWPYXKBD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021355 CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002001.txt index a10f1fc6ed2..f6a3760448e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS002001 -RECORD_TITLE: (R)-(-)-Phenylephrine hydrochloride, Mesaton, Neo-Synephrine, L-(3-Hydroxyphenyl)-N-methylethanolamine hydrochloride, Visadron, Metasympatol, (R)-(?)-1-(3-Hydroxyphenyl)-2-methylaminoethanol hydrochloride, m-Sympatol, m-Oxedrine, Metaoxedrine, Mezaton; LC-ESI-QQ; MS2 +RECORD_TITLE: (R)-(-)-Phenylephrine hydrochloride, Mesaton, Neo-Synephrine, L-(3-Hydroxyphenyl)-N-methylethanolamine hydrochloride, Visadron, Metasympatol, (R)-(?)-1-(3-Hydroxyphenyl)-2-methylaminoethanol hydrochloride, m-Sympatol, m-Oxedrine, Metaoxedrine, Mezaton; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:6041 CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N CH$LINK: ChemOnt CHEMONTID:0004647; Organic compounds; Benzenoids; Phenols; 1-hydroxy-4-unsubstituted benzenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002002.txt index 730cfca0c89..a4a97c468ed 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS002002 -RECORD_TITLE: (R)-(-)-Phenylephrine hydrochloride, Mesaton, Neo-Synephrine, L-(3-Hydroxyphenyl)-N-methylethanolamine hydrochloride, Visadron, Metasympatol, (R)-(?)-1-(3-Hydroxyphenyl)-2-methylaminoethanol hydrochloride, m-Sympatol, m-Oxedrine, Metaoxedrine, Mezaton; LC-ESI-QQ; MS2 +RECORD_TITLE: (R)-(-)-Phenylephrine hydrochloride, Mesaton, Neo-Synephrine, L-(3-Hydroxyphenyl)-N-methylethanolamine hydrochloride, Visadron, Metasympatol, (R)-(?)-1-(3-Hydroxyphenyl)-2-methylaminoethanol hydrochloride, m-Sympatol, m-Oxedrine, Metaoxedrine, Mezaton; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:6041 CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N CH$LINK: ChemOnt CHEMONTID:0004647; Organic compounds; Benzenoids; Phenols; 1-hydroxy-4-unsubstituted benzenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002003.txt index 15b53308dd8..2edd77a303c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS002003 -RECORD_TITLE: (R)-(-)-Phenylephrine hydrochloride, Mesaton, Neo-Synephrine, L-(3-Hydroxyphenyl)-N-methylethanolamine hydrochloride, Visadron, Metasympatol, (R)-(?)-1-(3-Hydroxyphenyl)-2-methylaminoethanol hydrochloride, m-Sympatol, m-Oxedrine, Metaoxedrine, Mezaton; LC-ESI-QQ; MS2 +RECORD_TITLE: (R)-(-)-Phenylephrine hydrochloride, Mesaton, Neo-Synephrine, L-(3-Hydroxyphenyl)-N-methylethanolamine hydrochloride, Visadron, Metasympatol, (R)-(?)-1-(3-Hydroxyphenyl)-2-methylaminoethanol hydrochloride, m-Sympatol, m-Oxedrine, Metaoxedrine, Mezaton; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:6041 CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N CH$LINK: ChemOnt CHEMONTID:0004647; Organic compounds; Benzenoids; Phenols; 1-hydroxy-4-unsubstituted benzenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002004.txt index bb92544c1f2..822dea428f8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS002004 -RECORD_TITLE: (R)-(-)-Phenylephrine hydrochloride, Mesaton, Neo-Synephrine, L-(3-Hydroxyphenyl)-N-methylethanolamine hydrochloride, Visadron, Metasympatol, (R)-(?)-1-(3-Hydroxyphenyl)-2-methylaminoethanol hydrochloride, m-Sympatol, m-Oxedrine, Metaoxedrine, Mezaton; LC-ESI-QQ; MS2 +RECORD_TITLE: (R)-(-)-Phenylephrine hydrochloride, Mesaton, Neo-Synephrine, L-(3-Hydroxyphenyl)-N-methylethanolamine hydrochloride, Visadron, Metasympatol, (R)-(?)-1-(3-Hydroxyphenyl)-2-methylaminoethanol hydrochloride, m-Sympatol, m-Oxedrine, Metaoxedrine, Mezaton; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:6041 CH$LINK: INCHIKEY SONNWYBIRXJNDC-VIFPVBQESA-N CH$LINK: ChemOnt CHEMONTID:0004647; Organic compounds; Benzenoids; Phenols; 1-hydroxy-4-unsubstituted benzenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002101.txt index e83af836210..567915c2507 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS002101 -RECORD_TITLE: o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY DGEZNRSVGBDHLK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1025857 CH$LINK: ChemOnt CHEMONTID:0001626; Organic compounds; Organoheterocyclic compounds; Phenanthrolines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002102.txt index ae71464566d..d201bc6c198 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS002102 -RECORD_TITLE: o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY DGEZNRSVGBDHLK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1025857 CH$LINK: ChemOnt CHEMONTID:0001626; Organic compounds; Organoheterocyclic compounds; Phenanthrolines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002103.txt index fe844ee2c59..e267fb01d80 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS002103 -RECORD_TITLE: o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY DGEZNRSVGBDHLK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1025857 CH$LINK: ChemOnt CHEMONTID:0001626; Organic compounds; Organoheterocyclic compounds; Phenanthrolines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002104.txt index 14227868760..555a744ad9b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS002104 -RECORD_TITLE: o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY DGEZNRSVGBDHLK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1025857 CH$LINK: ChemOnt CHEMONTID:0001626; Organic compounds; Organoheterocyclic compounds; Phenanthrolines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002105.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002105.txt index 31a9c9cbe31..baec02b5536 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002105.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS002105 -RECORD_TITLE: o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: o-Phenanthroline Monohydrate, 1,10-Phenanthroline monohydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY DGEZNRSVGBDHLK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1025857 CH$LINK: ChemOnt CHEMONTID:0001626; Organic compounds; Organoheterocyclic compounds; Phenanthrolines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002201.txt index 96f8a6cc3ad..812456ec2e2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS002201 -RECORD_TITLE: 1,1-Dimethylbiguanide hydrochloride, Dimethylguanylguanidine, Metformin hydrochloride, Glucophage; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,1-Dimethylbiguanide hydrochloride, Dimethylguanylguanidine, Metformin hydrochloride, Glucophage; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY XZWYZXLIPXDOLR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2023270 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002202.txt index 9099009343a..8a53200cf14 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS002202 -RECORD_TITLE: 1,1-Dimethylbiguanide hydrochloride, Dimethylguanylguanidine, Metformin hydrochloride, Glucophage; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,1-Dimethylbiguanide hydrochloride, Dimethylguanylguanidine, Metformin hydrochloride, Glucophage; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY XZWYZXLIPXDOLR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2023270 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002203.txt index f82cfcb4acd..56bf37b8633 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS002203 -RECORD_TITLE: 1,1-Dimethylbiguanide hydrochloride, Dimethylguanylguanidine, Metformin hydrochloride, Glucophage; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,1-Dimethylbiguanide hydrochloride, Dimethylguanylguanidine, Metformin hydrochloride, Glucophage; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY XZWYZXLIPXDOLR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2023270 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002204.txt index 83a972a889c..f870eeec30a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS002204 -RECORD_TITLE: 1,1-Dimethylbiguanide hydrochloride, Dimethylguanylguanidine, Metformin hydrochloride, Glucophage; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,1-Dimethylbiguanide hydrochloride, Dimethylguanylguanidine, Metformin hydrochloride, Glucophage; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY XZWYZXLIPXDOLR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2023270 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002205.txt index bce15296c45..de20f522fab 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS002205 -RECORD_TITLE: 1,1-Dimethylbiguanide hydrochloride, Dimethylguanylguanidine, Metformin hydrochloride, Glucophage; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,1-Dimethylbiguanide hydrochloride, Dimethylguanylguanidine, Metformin hydrochloride, Glucophage; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY XZWYZXLIPXDOLR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2023270 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002401.txt index df3747ed09e..47e8b073192 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS002401 -RECORD_TITLE: 16-Hydroxypalmitic acid, 16-Hydroxyhexadecanoic acid, Juniperic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 16-Hydroxypalmitic acid, 16-Hydroxyhexadecanoic acid, Juniperic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY UGAGPNKCDRTDHP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6060133 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002406.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002406.txt index 159be2dfac3..78cd0c930c7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002406.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002406.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS002406 -RECORD_TITLE: 16-Hydroxypalmitic acid, 16-Hydroxyhexadecanoic acid, Juniperic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 16-Hydroxypalmitic acid, 16-Hydroxyhexadecanoic acid, Juniperic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY UGAGPNKCDRTDHP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6060133 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002501.txt index adc26fdf07c..ed3f11a70a2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS002501 -RECORD_TITLE: 1-Aminocyclopropanecarboxylic acid, 1-Aminocyclopropane-1-carboxylic acid, ACPC; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Aminocyclopropanecarboxylic acid, 1-Aminocyclopropane-1-carboxylic acid, ACPC; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY PAJPWUMXBYXFCZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9039577 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002502.txt index 37fa47c598f..bca0f541773 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS002502 -RECORD_TITLE: 1-Aminocyclopropanecarboxylic acid, 1-Aminocyclopropane-1-carboxylic acid, ACPC; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Aminocyclopropanecarboxylic acid, 1-Aminocyclopropane-1-carboxylic acid, ACPC; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY PAJPWUMXBYXFCZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9039577 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002503.txt index 1ca480e1ea5..a949ba5cdca 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS002503 -RECORD_TITLE: 1-Aminocyclopropanecarboxylic acid, 1-Aminocyclopropane-1-carboxylic acid, ACPC; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Aminocyclopropanecarboxylic acid, 1-Aminocyclopropane-1-carboxylic acid, ACPC; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY PAJPWUMXBYXFCZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9039577 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002504.txt index db6da817642..175c92b8167 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS002504 -RECORD_TITLE: 1-Aminocyclopropanecarboxylic acid, 1-Aminocyclopropane-1-carboxylic acid, ACPC; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Aminocyclopropanecarboxylic acid, 1-Aminocyclopropane-1-carboxylic acid, ACPC; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY PAJPWUMXBYXFCZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9039577 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002803.txt index bb6b60ba6ea..7bca82c836c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS002803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS002803 -RECORD_TITLE: 5'-dCTP, deoxy-CTP, 2'-Deoxycytidine 5'-triphosphate disodium salt, dCTP-Na2; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-dCTP, deoxy-CTP, 2'-Deoxycytidine 5'-triphosphate disodium salt, dCTP-Na2; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:65091 CH$LINK: INCHIKEY RGWHQCVHVJXOKC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003001.txt index bb20bda80d9..363a86ade7e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003001 -RECORD_TITLE: 4-Hydroxyaniline hydrochloride, 4-Aminophenol hydrochloride, p-Aminophenol; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Hydroxyaniline hydrochloride, 4-Aminophenol hydrochloride, p-Aminophenol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY PLIKAWJENQZMHA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3024499 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003002.txt index e0c755018fd..6d9740beb77 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003002 -RECORD_TITLE: 4-Hydroxyaniline hydrochloride, 4-Aminophenol hydrochloride, p-Aminophenol; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Hydroxyaniline hydrochloride, 4-Aminophenol hydrochloride, p-Aminophenol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY PLIKAWJENQZMHA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3024499 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003201.txt index a39f4e2637f..39baaf669d6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003201 -RECORD_TITLE: PHPA, 4-Hydroxyphenylacetic acid, 4-Hydroxyphenylacetate, 4-Carboxymethylphenol, 4-Hydroxyphenylethanoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: PHPA, 4-Hydroxyphenylacetic acid, 4-Hydroxyphenylacetate, 4-Carboxymethylphenol, 4-Hydroxyphenylethanoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY XQXPVVBIMDBYFF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5059745 CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003203.txt index c78507c0785..2638887cbcf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003203 -RECORD_TITLE: PHPA, 4-Hydroxyphenylacetic acid, 4-Hydroxyphenylacetate, 4-Carboxymethylphenol, 4-Hydroxyphenylethanoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: PHPA, 4-Hydroxyphenylacetic acid, 4-Hydroxyphenylacetate, 4-Carboxymethylphenol, 4-Hydroxyphenylethanoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY XQXPVVBIMDBYFF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5059745 CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003301.txt index 02787497037..db321d5d2d9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003301 -RECORD_TITLE: 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY HSHNITRMYYLLCV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025670 CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003302.txt index cc79cfc6b49..973e79cc908 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003302 -RECORD_TITLE: 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY HSHNITRMYYLLCV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025670 CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003303.txt index 5e1fbd9b7cb..aa3751a00b0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003303 -RECORD_TITLE: 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY HSHNITRMYYLLCV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025670 CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003305.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003305.txt index 504d30c484e..d2eab56ed3b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003305.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003305 -RECORD_TITLE: 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY HSHNITRMYYLLCV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025670 CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003306.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003306.txt index 81b9ce2059b..4d6f32de6df 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003306.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003306.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003306 -RECORD_TITLE: 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY HSHNITRMYYLLCV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025670 CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003401.txt index 76d20478c56..d96d03dc8ef 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003401 -RECORD_TITLE: 5-Hydoxytryptamine hydrochloride, 5-HT, Enteramine, 3-(2-Aminoethyl)-5-hydroxyindole hydrochloride, Serotonin hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 5-Hydoxytryptamine hydrochloride, 5-HT, Enteramine, 3-(2-Aminoethyl)-5-hydroxyindole hydrochloride, Serotonin hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY QZAYGJVTTNCVMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075330 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003402.txt index e6294112ec5..3b5563ad4e0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003402 -RECORD_TITLE: 5-Hydoxytryptamine hydrochloride, 5-HT, Enteramine, 3-(2-Aminoethyl)-5-hydroxyindole hydrochloride, Serotonin hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 5-Hydoxytryptamine hydrochloride, 5-HT, Enteramine, 3-(2-Aminoethyl)-5-hydroxyindole hydrochloride, Serotonin hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY QZAYGJVTTNCVMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075330 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003403.txt index aaba9b413a9..f9c41fec040 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003403 -RECORD_TITLE: 5-Hydoxytryptamine hydrochloride, 5-HT, Enteramine, 3-(2-Aminoethyl)-5-hydroxyindole hydrochloride, Serotonin hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 5-Hydoxytryptamine hydrochloride, 5-HT, Enteramine, 3-(2-Aminoethyl)-5-hydroxyindole hydrochloride, Serotonin hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY QZAYGJVTTNCVMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075330 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003501.txt index 3d03dd39a79..2958105d0a9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003501 -RECORD_TITLE: 4-Amino-2-hydroxy-5-methylpyrimidine Hydrochloride, 5-Methylcytosine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Amino-2-hydroxy-5-methylpyrimidine Hydrochloride, 5-Methylcytosine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY LRSASMSXMSNRBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50203948 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003502.txt index 79a8b205538..726075e0bea 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003502 -RECORD_TITLE: 4-Amino-2-hydroxy-5-methylpyrimidine Hydrochloride, 5-Methylcytosine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Amino-2-hydroxy-5-methylpyrimidine Hydrochloride, 5-Methylcytosine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY LRSASMSXMSNRBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50203948 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003503.txt index 657dfd4064b..ecd4a1a2a5d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003503 -RECORD_TITLE: 4-Amino-2-hydroxy-5-methylpyrimidine Hydrochloride, 5-Methylcytosine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Amino-2-hydroxy-5-methylpyrimidine Hydrochloride, 5-Methylcytosine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY LRSASMSXMSNRBT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50203948 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003602.txt index 18a58398a1c..9910e9f31a9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003602 -RECORD_TITLE: 5-Methyltetrahydrofolic acid disodium salt, Prefolic A, 5-Methyl-5,6,7,8-tetrahydropteroyl-L-glutamic acid disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 5-Methyltetrahydrofolic acid disodium salt, Prefolic A, 5-Methyl-5,6,7,8-tetrahydropteroyl-L-glutamic acid disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY ZNOVTXRBGFNYRX-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:135402010 CH$LINK: ChemOnt CHEMONTID:0000110; Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003701.txt index 0b2a54b35c3..dc31fda85af 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003701 -RECORD_TITLE: N6-Dimethylallyladenine, 2iP, N6-(2-Isopentenyl)adenine, 6-(gamma,gamma-Dimethylallylamino)purine, Triacanthine; LC-ESI-QQ; MS2 +RECORD_TITLE: N6-Dimethylallyladenine, 2iP, N6-(2-Isopentenyl)adenine, 6-(gamma,gamma-Dimethylallylamino)purine, Triacanthine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY HYVABZIGRDEKCD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10178325 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003702.txt index 96a3be8a7ed..e32beb8f199 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003702 -RECORD_TITLE: N6-Dimethylallyladenine, 2iP, N6-(2-Isopentenyl)adenine, 6-(gamma,gamma-Dimethylallylamino)purine, Triacanthine; LC-ESI-QQ; MS2 +RECORD_TITLE: N6-Dimethylallyladenine, 2iP, N6-(2-Isopentenyl)adenine, 6-(gamma,gamma-Dimethylallylamino)purine, Triacanthine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY HYVABZIGRDEKCD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10178325 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003703.txt index 3590c831d42..85c27c04324 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003703 -RECORD_TITLE: N6-Dimethylallyladenine, 2iP, N6-(2-Isopentenyl)adenine, 6-(gamma,gamma-Dimethylallylamino)purine, Triacanthine; LC-ESI-QQ; MS2 +RECORD_TITLE: N6-Dimethylallyladenine, 2iP, N6-(2-Isopentenyl)adenine, 6-(gamma,gamma-Dimethylallylamino)purine, Triacanthine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY HYVABZIGRDEKCD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10178325 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003704.txt index 2301cd78c67..1442b4e4914 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003704 -RECORD_TITLE: N6-Dimethylallyladenine, 2iP, N6-(2-Isopentenyl)adenine, 6-(gamma,gamma-Dimethylallylamino)purine, Triacanthine; LC-ESI-QQ; MS2 +RECORD_TITLE: N6-Dimethylallyladenine, 2iP, N6-(2-Isopentenyl)adenine, 6-(gamma,gamma-Dimethylallylamino)purine, Triacanthine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY HYVABZIGRDEKCD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10178325 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003705.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003705.txt index 17dbe313c91..3ae9b865d3a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003705.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003705 -RECORD_TITLE: N6-Dimethylallyladenine, 2iP, N6-(2-Isopentenyl)adenine, 6-(gamma,gamma-Dimethylallylamino)purine, Triacanthine; LC-ESI-QQ; MS2 +RECORD_TITLE: N6-Dimethylallyladenine, 2iP, N6-(2-Isopentenyl)adenine, 6-(gamma,gamma-Dimethylallylamino)purine, Triacanthine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY HYVABZIGRDEKCD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10178325 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003707.txt index 316017682e8..59d5196f35e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003707 -RECORD_TITLE: N6-Dimethylallyladenine, 2iP, N6-(2-Isopentenyl)adenine, 6-(gamma,gamma-Dimethylallylamino)purine, Triacanthine; LC-ESI-QQ; MS2 +RECORD_TITLE: N6-Dimethylallyladenine, 2iP, N6-(2-Isopentenyl)adenine, 6-(gamma,gamma-Dimethylallylamino)purine, Triacanthine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY HYVABZIGRDEKCD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10178325 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003807.txt index 4b290bc3df7..a6f06ccadc2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003807 -RECORD_TITLE: 6-PG-Ba, 1pgp, 6-Phosphogluconic acid Barium salt hydrate, 6-Phospho-D-gluconate, D-Gluconate 6-phosphate barium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-PG-Ba, 1pgp, 6-Phosphogluconic acid Barium salt hydrate, 6-Phospho-D-gluconate, D-Gluconate 6-phosphate barium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:91493 CH$LINK: INCHIKEY BIRSGZKFKXLSJQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003901.txt index 7b0f6c03001..f090b39a753 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003901 -RECORD_TITLE: Vitamin B4, 6-Aminopurine, Adeninimine, 1,6-Dihydro-6-iminopurine, 6-AP, ADE, Adenine, Leucon; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin B4, 6-Aminopurine, Adeninimine, 1,6-Dihydro-6-iminopurine, 6-AP, ADE, Adenine, Leucon; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: INCHIKEY GFFGJBXGBJISGV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022557 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003902.txt index 1babce10cc6..8698d759572 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003902 -RECORD_TITLE: Vitamin B4, 6-Aminopurine, Adeninimine, 1,6-Dihydro-6-iminopurine, 6-AP, ADE, Adenine, Leucon; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin B4, 6-Aminopurine, Adeninimine, 1,6-Dihydro-6-iminopurine, 6-AP, ADE, Adenine, Leucon; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: INCHIKEY GFFGJBXGBJISGV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022557 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003903.txt index f851f598259..cd36b0b6423 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003903 -RECORD_TITLE: Vitamin B4, 6-Aminopurine, Adeninimine, 1,6-Dihydro-6-iminopurine, 6-AP, ADE, Adenine, Leucon; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin B4, 6-Aminopurine, Adeninimine, 1,6-Dihydro-6-iminopurine, 6-AP, ADE, Adenine, Leucon; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: INCHIKEY GFFGJBXGBJISGV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022557 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003904.txt index 802c2e1e7b1..9ae6c85cd6a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003904 -RECORD_TITLE: Vitamin B4, 6-Aminopurine, Adeninimine, 1,6-Dihydro-6-iminopurine, 6-AP, ADE, Adenine, Leucon; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin B4, 6-Aminopurine, Adeninimine, 1,6-Dihydro-6-iminopurine, 6-AP, ADE, Adenine, Leucon; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: INCHIKEY GFFGJBXGBJISGV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022557 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003907.txt index 1dad81bc040..64d72b57758 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003907 -RECORD_TITLE: Vitamin B4, 6-Aminopurine, Adeninimine, 1,6-Dihydro-6-iminopurine, 6-AP, ADE, Adenine, Leucon; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin B4, 6-Aminopurine, Adeninimine, 1,6-Dihydro-6-iminopurine, 6-AP, ADE, Adenine, Leucon; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: INCHIKEY GFFGJBXGBJISGV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022557 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003908.txt index b3b74a7f9a0..ed565c6f188 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS003908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS003908 -RECORD_TITLE: Vitamin B4, 6-Aminopurine, Adeninimine, 1,6-Dihydro-6-iminopurine, 6-AP, ADE, Adenine, Leucon; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin B4, 6-Aminopurine, Adeninimine, 1,6-Dihydro-6-iminopurine, 6-AP, ADE, Adenine, Leucon; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: INCHIKEY GFFGJBXGBJISGV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6022557 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004001.txt index c06831531e5..6f77ed446b8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004001 -RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:60961 CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004002.txt index 7dd410da20a..5c6177ce799 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004002 -RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:60961 CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004003.txt index 92b6eb8140d..fc561273b0d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004003 -RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:60961 CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004004.txt index 3c6ca07f00b..1a9823e8cce 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004004 -RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:60961 CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004005.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004005.txt index cb811ba37fe..b39330c0b5f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004005.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004005 -RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:60961 CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004006.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004006.txt index 881964f48f2..7debb08cf98 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004006.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004006.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004006 -RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:60961 CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004201.txt index 2d76ca6aa44..c4b463b4caa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004201 -RECORD_TITLE: Anthranilic acid, o-Aminobenzoic Acid, Vitamin L1, 2-Carboxyaniline, 2-AA, 2-aminobenzoate; LC-ESI-QQ; MS2 +RECORD_TITLE: Anthranilic acid, o-Aminobenzoic Acid, Vitamin L1, 2-Carboxyaniline, 2-AA, 2-aminobenzoate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004202.txt index e5ccb622495..3ce48d87436 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004202 -RECORD_TITLE: Anthranilic acid, o-Aminobenzoic Acid, Vitamin L1, 2-Carboxyaniline, 2-AA, 2-aminobenzoate; LC-ESI-QQ; MS2 +RECORD_TITLE: Anthranilic acid, o-Aminobenzoic Acid, Vitamin L1, 2-Carboxyaniline, 2-AA, 2-aminobenzoate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004203.txt index d88c0d32135..ac18b0cd01b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004203 -RECORD_TITLE: Anthranilic acid, o-Aminobenzoic Acid, Vitamin L1, 2-Carboxyaniline, 2-AA, 2-aminobenzoate; LC-ESI-QQ; MS2 +RECORD_TITLE: Anthranilic acid, o-Aminobenzoic Acid, Vitamin L1, 2-Carboxyaniline, 2-AA, 2-aminobenzoate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004204.txt index f0fbde34391..ca9484ca32f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004204 -RECORD_TITLE: Anthranilic acid, o-Aminobenzoic Acid, Vitamin L1, 2-Carboxyaniline, 2-AA, 2-aminobenzoate; LC-ESI-QQ; MS2 +RECORD_TITLE: Anthranilic acid, o-Aminobenzoic Acid, Vitamin L1, 2-Carboxyaniline, 2-AA, 2-aminobenzoate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004205.txt index d49856da15b..e4776101d4e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004205 -RECORD_TITLE: Anthranilic acid, o-Aminobenzoic Acid, Vitamin L1, 2-Carboxyaniline, 2-AA, 2-aminobenzoate; LC-ESI-QQ; MS2 +RECORD_TITLE: Anthranilic acid, o-Aminobenzoic Acid, Vitamin L1, 2-Carboxyaniline, 2-AA, 2-aminobenzoate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004206.txt index f342fe8a4cb..cb5cb40186d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004206 -RECORD_TITLE: Anthranilic acid, o-Aminobenzoic Acid, Vitamin L1, 2-Carboxyaniline, 2-AA, 2-aminobenzoate; LC-ESI-QQ; MS2 +RECORD_TITLE: Anthranilic acid, o-Aminobenzoic Acid, Vitamin L1, 2-Carboxyaniline, 2-AA, 2-aminobenzoate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY RWZYAGGXGHYGMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020094 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004401.txt index 2b458a12220..9dfb6f69cf2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004401 -RECORD_TITLE: 1,5-Diaminopentane, 1,5-Pentanediamine, Cadaverine, Pentamethylenediamine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,5-Diaminopentane, 1,5-Pentanediamine, Cadaverine, Pentamethylenediamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY VHRGRCVQAFMJIZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5075448 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004402.txt index 34a9c1f29e0..7210bed7b53 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004402 -RECORD_TITLE: 1,5-Diaminopentane, 1,5-Pentanediamine, Cadaverine, Pentamethylenediamine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,5-Diaminopentane, 1,5-Pentanediamine, Cadaverine, Pentamethylenediamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY VHRGRCVQAFMJIZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5075448 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004501.txt index 58d00545606..8fd88fb3457 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004501 -RECORD_TITLE: 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY RYYVLZVUVIJVGH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020232 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004502.txt index ecbdaa41834..587f222edf7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004502 -RECORD_TITLE: 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY RYYVLZVUVIJVGH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020232 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004503.txt index 5d11403aafb..48991dcbc69 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004503 -RECORD_TITLE: 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY RYYVLZVUVIJVGH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020232 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004504.txt index cc8f7953944..04dcdddd3f4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004504 -RECORD_TITLE: 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY RYYVLZVUVIJVGH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020232 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004505.txt index 160377c605b..bd5ae024d6c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004505 -RECORD_TITLE: 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY RYYVLZVUVIJVGH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020232 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004506.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004506.txt index bb2ccf2330c..cdbc0a6dd9c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004506.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004506 -RECORD_TITLE: 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,3,7-Trimethyl-2,6-dioxopurine, Methyltheobromine, Caffeine,Anhydrous, 1,3,7-Trimethylxanthine, Guaranine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY RYYVLZVUVIJVGH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020232 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004601.txt index 6f9435afc12..1c702342dde 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004601 -RECORD_TITLE: cis-Aconitic acid, Achilleaic acid, cis-Propene-1,2,3-tricarboxylic acid, cis-1,2,3-Propenetricarboxylic Acid, cis-aconitate, cis-Oxaloacetic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: cis-Aconitic acid, Achilleaic acid, cis-Propene-1,2,3-tricarboxylic acid, cis-1,2,3-Propenetricarboxylic Acid, cis-aconitate, cis-Oxaloacetic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY GTZCVFVGUGFEME-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9060102 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004607.txt index 900f383b41b..eac99c06449 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004607 -RECORD_TITLE: cis-Aconitic acid, Achilleaic acid, cis-Propene-1,2,3-tricarboxylic acid, cis-1,2,3-Propenetricarboxylic Acid, cis-aconitate, cis-Oxaloacetic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: cis-Aconitic acid, Achilleaic acid, cis-Propene-1,2,3-tricarboxylic acid, cis-1,2,3-Propenetricarboxylic Acid, cis-aconitate, cis-Oxaloacetic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY GTZCVFVGUGFEME-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9060102 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004608.txt index ac9b11f9729..c86ab4be1ac 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004608 -RECORD_TITLE: cis-Aconitic acid, Achilleaic acid, cis-Propene-1,2,3-tricarboxylic acid, cis-1,2,3-Propenetricarboxylic Acid, cis-aconitate, cis-Oxaloacetic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: cis-Aconitic acid, Achilleaic acid, cis-Propene-1,2,3-tricarboxylic acid, cis-1,2,3-Propenetricarboxylic Acid, cis-aconitate, cis-Oxaloacetic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY GTZCVFVGUGFEME-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9060102 CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004805.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004805.txt index a71d410754f..0586c8aa1da 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004805.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004805 -RECORD_TITLE: 1,2,3-Propanetriol, Trihydroxypropane, Glycyl alcohol, Glycerol, Glycerin; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,2,3-Propanetriol, Trihydroxypropane, Glycyl alcohol, Glycerol, Glycerin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY PEDCQBHIVMGVHV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020663 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004807.txt index 087600fc733..4ec3f1a71fe 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004807 -RECORD_TITLE: 1,2,3-Propanetriol, Trihydroxypropane, Glycyl alcohol, Glycerol, Glycerin; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,2,3-Propanetriol, Trihydroxypropane, Glycyl alcohol, Glycerol, Glycerin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY PEDCQBHIVMGVHV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020663 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004808.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004808.txt index 20d609e1fb4..33a7d81bacb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004808.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004808 -RECORD_TITLE: 1,2,3-Propanetriol, Trihydroxypropane, Glycyl alcohol, Glycerol, Glycerin; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,2,3-Propanetriol, Trihydroxypropane, Glycyl alcohol, Glycerol, Glycerin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY PEDCQBHIVMGVHV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020663 CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004901.txt index 078d4dc3155..79ef7c29ec1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004901 -RECORD_TITLE: Glycine, Gly, Glycocoll, Aminoethanoic acid, Aminoacetic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycine, Gly, Glycocoll, Aminoethanoic acid, Aminoacetic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY DHMQDGOQFOQNFH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020667 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004902.txt index e4fefc47d94..07efc384167 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004902 -RECORD_TITLE: Glycine, Gly, Glycocoll, Aminoethanoic acid, Aminoacetic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycine, Gly, Glycocoll, Aminoethanoic acid, Aminoacetic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY DHMQDGOQFOQNFH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020667 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004903.txt index abdc473d04e..85c6d08659b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS004903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS004903 -RECORD_TITLE: Glycine, Gly, Glycocoll, Aminoethanoic acid, Aminoacetic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycine, Gly, Glycocoll, Aminoethanoic acid, Aminoacetic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY DHMQDGOQFOQNFH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020667 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005101.txt index c0f769af844..e83c27e53a9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005101 -RECORD_TITLE: L-Histidine, Glyoxaline-5-alanine, L-alpha-Amino-beta-imidazolepropionic Acid, (S)-2-Amino-3-(4-imidazolyl)propionic acid, L-His; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Histidine, Glyoxaline-5-alanine, L-alpha-Amino-beta-imidazolepropionic Acid, (S)-2-Amino-3-(4-imidazolyl)propionic acid, L-His; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6274 CH$LINK: INCHIKEY HNDVDQJCIGZPNO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005102.txt index 46202ef8f47..3d092413447 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005102 -RECORD_TITLE: L-Histidine, Glyoxaline-5-alanine, L-alpha-Amino-beta-imidazolepropionic Acid, (S)-2-Amino-3-(4-imidazolyl)propionic acid, L-His; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Histidine, Glyoxaline-5-alanine, L-alpha-Amino-beta-imidazolepropionic Acid, (S)-2-Amino-3-(4-imidazolyl)propionic acid, L-His; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6274 CH$LINK: INCHIKEY HNDVDQJCIGZPNO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005103.txt index 1991e7cacd9..9c8ea5c91b5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005103 -RECORD_TITLE: L-Histidine, Glyoxaline-5-alanine, L-alpha-Amino-beta-imidazolepropionic Acid, (S)-2-Amino-3-(4-imidazolyl)propionic acid, L-His; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Histidine, Glyoxaline-5-alanine, L-alpha-Amino-beta-imidazolepropionic Acid, (S)-2-Amino-3-(4-imidazolyl)propionic acid, L-His; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6274 CH$LINK: INCHIKEY HNDVDQJCIGZPNO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005107.txt index 6acb424420c..ea21fd16b25 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005107 -RECORD_TITLE: L-Histidine, Glyoxaline-5-alanine, L-alpha-Amino-beta-imidazolepropionic Acid, (S)-2-Amino-3-(4-imidazolyl)propionic acid, L-His; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Histidine, Glyoxaline-5-alanine, L-alpha-Amino-beta-imidazolepropionic Acid, (S)-2-Amino-3-(4-imidazolyl)propionic acid, L-His; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6274 CH$LINK: INCHIKEY HNDVDQJCIGZPNO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005201.txt index 7f8d25818ee..1a6b0b98e0b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005201 -RECORD_TITLE: (S)-2-Amino-4-methylpentanoic acid, L-alpha-Aminoisocaproic acid, L-Leu, L-Leucine, (Cell Culture Reagent, Crystalline), L-2-Amino-4-methylvaleric Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-2-Amino-4-methylpentanoic acid, L-alpha-Aminoisocaproic acid, L-Leu, L-Leucine, (Cell Culture Reagent, Crystalline), L-2-Amino-4-methylvaleric Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY ROHFNLRQFUQHCH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00859050 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005202.txt index 09d7f4a183d..1825a6cc38e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005202 -RECORD_TITLE: (S)-2-Amino-4-methylpentanoic acid, L-alpha-Aminoisocaproic acid, L-Leu, L-Leucine, (Cell Culture Reagent, Crystalline), L-2-Amino-4-methylvaleric Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-2-Amino-4-methylpentanoic acid, L-alpha-Aminoisocaproic acid, L-Leu, L-Leucine, (Cell Culture Reagent, Crystalline), L-2-Amino-4-methylvaleric Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY ROHFNLRQFUQHCH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00859050 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005203.txt index 84cc2a0b730..4d17fb16dbf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005203 -RECORD_TITLE: (S)-2-Amino-4-methylpentanoic acid, L-alpha-Aminoisocaproic acid, L-Leu, L-Leucine, (Cell Culture Reagent, Crystalline), L-2-Amino-4-methylvaleric Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-2-Amino-4-methylpentanoic acid, L-alpha-Aminoisocaproic acid, L-Leu, L-Leucine, (Cell Culture Reagent, Crystalline), L-2-Amino-4-methylvaleric Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY ROHFNLRQFUQHCH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00859050 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005204.txt index 1704d11523e..bbdaf4a58dd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005204 -RECORD_TITLE: (S)-2-Amino-4-methylpentanoic acid, L-alpha-Aminoisocaproic acid, L-Leu, L-Leucine, (Cell Culture Reagent, Crystalline), L-2-Amino-4-methylvaleric Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-2-Amino-4-methylpentanoic acid, L-alpha-Aminoisocaproic acid, L-Leu, L-Leucine, (Cell Culture Reagent, Crystalline), L-2-Amino-4-methylvaleric Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY ROHFNLRQFUQHCH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00859050 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005205.txt index 6f4d1108ff9..c647f9b5c93 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005205 -RECORD_TITLE: (S)-2-Amino-4-methylpentanoic acid, L-alpha-Aminoisocaproic acid, L-Leu, L-Leucine, (Cell Culture Reagent, Crystalline), L-2-Amino-4-methylvaleric Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-2-Amino-4-methylpentanoic acid, L-alpha-Aminoisocaproic acid, L-Leu, L-Leucine, (Cell Culture Reagent, Crystalline), L-2-Amino-4-methylvaleric Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY ROHFNLRQFUQHCH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00859050 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005301.txt index 09cabb0831e..83a38db6111 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005301 -RECORD_TITLE: L-Methionine, L-Met, L-Lobamine, (S)-2-Amino-4-(methylmercapto)butyric acid, L-2-Amino-4-methylmercaptobutyric Acid, L-a-Amino-g-methylthiobutyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Methionine, L-Met, L-Lobamine, (S)-2-Amino-4-(methylmercapto)butyric acid, L-2-Amino-4-methylmercaptobutyric Acid, L-a-Amino-g-methylthiobutyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY FFEARJCKVFRZRR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020821 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005302.txt index ec6c14133c8..9c535c6ca78 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005302 -RECORD_TITLE: L-Methionine, L-Met, L-Lobamine, (S)-2-Amino-4-(methylmercapto)butyric acid, L-2-Amino-4-methylmercaptobutyric Acid, L-a-Amino-g-methylthiobutyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Methionine, L-Met, L-Lobamine, (S)-2-Amino-4-(methylmercapto)butyric acid, L-2-Amino-4-methylmercaptobutyric Acid, L-a-Amino-g-methylthiobutyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY FFEARJCKVFRZRR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020821 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005303.txt index 2874a370cce..c63037b1737 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005303 -RECORD_TITLE: L-Methionine, L-Met, L-Lobamine, (S)-2-Amino-4-(methylmercapto)butyric acid, L-2-Amino-4-methylmercaptobutyric Acid, L-a-Amino-g-methylthiobutyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Methionine, L-Met, L-Lobamine, (S)-2-Amino-4-(methylmercapto)butyric acid, L-2-Amino-4-methylmercaptobutyric Acid, L-a-Amino-g-methylthiobutyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY FFEARJCKVFRZRR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020821 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005304.txt index 7e18d393ced..f113b32d6e7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005304 -RECORD_TITLE: L-Methionine, L-Met, L-Lobamine, (S)-2-Amino-4-(methylmercapto)butyric acid, L-2-Amino-4-methylmercaptobutyric Acid, L-a-Amino-g-methylthiobutyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Methionine, L-Met, L-Lobamine, (S)-2-Amino-4-(methylmercapto)butyric acid, L-2-Amino-4-methylmercaptobutyric Acid, L-a-Amino-g-methylthiobutyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY FFEARJCKVFRZRR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020821 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005401.txt index 3969e40e11e..bab6cab8f26 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005401 -RECORD_TITLE: L-(-)-Phenylalanine, L-2-Amino-3-phenylpropionic acid, (S)-alpha-Amino-benzenepropanoic acid, (S)-a-Aminohydrocinnamic acid, L-Phe; LC-ESI-QQ; MS2 +RECORD_TITLE: L-(-)-Phenylalanine, L-2-Amino-3-phenylpropionic acid, (S)-alpha-Amino-benzenepropanoic acid, (S)-a-Aminohydrocinnamic acid, L-Phe; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY COLNVLDHVKWLRT-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID4040763 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005402.txt index 7cef9fc1793..e9051faf4d4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005402 -RECORD_TITLE: L-(-)-Phenylalanine, L-2-Amino-3-phenylpropionic acid, (S)-alpha-Amino-benzenepropanoic acid, (S)-a-Aminohydrocinnamic acid, L-Phe; LC-ESI-QQ; MS2 +RECORD_TITLE: L-(-)-Phenylalanine, L-2-Amino-3-phenylpropionic acid, (S)-alpha-Amino-benzenepropanoic acid, (S)-a-Aminohydrocinnamic acid, L-Phe; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY COLNVLDHVKWLRT-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID4040763 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005403.txt index 0cb99bebe92..2afff0fb405 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005403 -RECORD_TITLE: L-(-)-Phenylalanine, L-2-Amino-3-phenylpropionic acid, (S)-alpha-Amino-benzenepropanoic acid, (S)-a-Aminohydrocinnamic acid, L-Phe; LC-ESI-QQ; MS2 +RECORD_TITLE: L-(-)-Phenylalanine, L-2-Amino-3-phenylpropionic acid, (S)-alpha-Amino-benzenepropanoic acid, (S)-a-Aminohydrocinnamic acid, L-Phe; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY COLNVLDHVKWLRT-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID4040763 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005404.txt index d823918a7e4..5ee72648e5c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005404 -RECORD_TITLE: L-(-)-Phenylalanine, L-2-Amino-3-phenylpropionic acid, (S)-alpha-Amino-benzenepropanoic acid, (S)-a-Aminohydrocinnamic acid, L-Phe; LC-ESI-QQ; MS2 +RECORD_TITLE: L-(-)-Phenylalanine, L-2-Amino-3-phenylpropionic acid, (S)-alpha-Amino-benzenepropanoic acid, (S)-a-Aminohydrocinnamic acid, L-Phe; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY COLNVLDHVKWLRT-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID4040763 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005405.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005405.txt index a55d9832022..bc6bde9409b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005405.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005405 -RECORD_TITLE: L-(-)-Phenylalanine, L-2-Amino-3-phenylpropionic acid, (S)-alpha-Amino-benzenepropanoic acid, (S)-a-Aminohydrocinnamic acid, L-Phe; LC-ESI-QQ; MS2 +RECORD_TITLE: L-(-)-Phenylalanine, L-2-Amino-3-phenylpropionic acid, (S)-alpha-Amino-benzenepropanoic acid, (S)-a-Aminohydrocinnamic acid, L-Phe; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY COLNVLDHVKWLRT-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID4040763 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005406.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005406.txt index ef586d3f79d..c65488bd878 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005406.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005406.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005406 -RECORD_TITLE: L-(-)-Phenylalanine, L-2-Amino-3-phenylpropionic acid, (S)-alpha-Amino-benzenepropanoic acid, (S)-a-Aminohydrocinnamic acid, L-Phe; LC-ESI-QQ; MS2 +RECORD_TITLE: L-(-)-Phenylalanine, L-2-Amino-3-phenylpropionic acid, (S)-alpha-Amino-benzenepropanoic acid, (S)-a-Aminohydrocinnamic acid, L-Phe; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY COLNVLDHVKWLRT-QMMMGPOBSA-N CH$LINK: COMPTOX DTXSID4040763 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005501.txt index 87f9a1d0789..02efea59d79 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005501 -RECORD_TITLE: (S)-2-Amino-3-(3-indolyl)propionic acid, L-Trp, 3-beta-Indolylalanine, L-Tryptophane, L-alpha-Amino-3-indolepropionic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-2-Amino-3-(3-indolyl)propionic acid, L-Trp, 3-beta-Indolylalanine, L-Tryptophane, L-alpha-Amino-3-indolepropionic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY QIVBCDIJIAJPQS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0021418 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005502.txt index 606f94480d0..f61a224031c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005502 -RECORD_TITLE: (S)-2-Amino-3-(3-indolyl)propionic acid, L-Trp, 3-beta-Indolylalanine, L-Tryptophane, L-alpha-Amino-3-indolepropionic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-2-Amino-3-(3-indolyl)propionic acid, L-Trp, 3-beta-Indolylalanine, L-Tryptophane, L-alpha-Amino-3-indolepropionic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY QIVBCDIJIAJPQS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0021418 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005503.txt index aeec9aca2a7..4948b7e3723 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005503 -RECORD_TITLE: (S)-2-Amino-3-(3-indolyl)propionic acid, L-Trp, 3-beta-Indolylalanine, L-Tryptophane, L-alpha-Amino-3-indolepropionic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-2-Amino-3-(3-indolyl)propionic acid, L-Trp, 3-beta-Indolylalanine, L-Tryptophane, L-alpha-Amino-3-indolepropionic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY QIVBCDIJIAJPQS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0021418 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005504.txt index 7cdaab0ad61..0b4412296db 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005504 -RECORD_TITLE: (S)-2-Amino-3-(3-indolyl)propionic acid, L-Trp, 3-beta-Indolylalanine, L-Tryptophane, L-alpha-Amino-3-indolepropionic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-2-Amino-3-(3-indolyl)propionic acid, L-Trp, 3-beta-Indolylalanine, L-Tryptophane, L-alpha-Amino-3-indolepropionic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY QIVBCDIJIAJPQS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0021418 CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005601.txt index b466080ae58..c8e2cde16f2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005601 -RECORD_TITLE: L-Tyr, (-)-alpha-Amino-p-hydroxyhydrocinnamic acid, L-2-Amino-3-p-hydroxyphenylpropanoic acid, L-Tyrosine, (S)-2-Amino-3-(4-hydroxyphenyl)propionic acid, 4-Hydroxyphenylalanine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Tyr, (-)-alpha-Amino-p-hydroxyhydrocinnamic acid, L-2-Amino-3-p-hydroxyphenylpropanoic acid, L-Tyrosine, (S)-2-Amino-3-(4-hydroxyphenyl)propionic acid, 4-Hydroxyphenylalanine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY OUYCCCASQSFEME-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50859040 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005602.txt index 57248bcbc64..4ec05dbf652 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005602 -RECORD_TITLE: L-Tyr, (-)-alpha-Amino-p-hydroxyhydrocinnamic acid, L-2-Amino-3-p-hydroxyphenylpropanoic acid, L-Tyrosine, (S)-2-Amino-3-(4-hydroxyphenyl)propionic acid, 4-Hydroxyphenylalanine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Tyr, (-)-alpha-Amino-p-hydroxyhydrocinnamic acid, L-2-Amino-3-p-hydroxyphenylpropanoic acid, L-Tyrosine, (S)-2-Amino-3-(4-hydroxyphenyl)propionic acid, 4-Hydroxyphenylalanine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY OUYCCCASQSFEME-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50859040 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005603.txt index f8b95e59c95..4a5aba60a29 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005603 -RECORD_TITLE: L-Tyr, (-)-alpha-Amino-p-hydroxyhydrocinnamic acid, L-2-Amino-3-p-hydroxyphenylpropanoic acid, L-Tyrosine, (S)-2-Amino-3-(4-hydroxyphenyl)propionic acid, 4-Hydroxyphenylalanine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Tyr, (-)-alpha-Amino-p-hydroxyhydrocinnamic acid, L-2-Amino-3-p-hydroxyphenylpropanoic acid, L-Tyrosine, (S)-2-Amino-3-(4-hydroxyphenyl)propionic acid, 4-Hydroxyphenylalanine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY OUYCCCASQSFEME-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50859040 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005604.txt index 4404277019c..44b061f1b5a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005604 -RECORD_TITLE: L-Tyr, (-)-alpha-Amino-p-hydroxyhydrocinnamic acid, L-2-Amino-3-p-hydroxyphenylpropanoic acid, L-Tyrosine, (S)-2-Amino-3-(4-hydroxyphenyl)propionic acid, 4-Hydroxyphenylalanine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Tyr, (-)-alpha-Amino-p-hydroxyhydrocinnamic acid, L-2-Amino-3-p-hydroxyphenylpropanoic acid, L-Tyrosine, (S)-2-Amino-3-(4-hydroxyphenyl)propionic acid, 4-Hydroxyphenylalanine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY OUYCCCASQSFEME-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50859040 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005605.txt index c0052aac1d6..fe591909b1b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005605 -RECORD_TITLE: L-Tyr, (-)-alpha-Amino-p-hydroxyhydrocinnamic acid, L-2-Amino-3-p-hydroxyphenylpropanoic acid, L-Tyrosine, (S)-2-Amino-3-(4-hydroxyphenyl)propionic acid, 4-Hydroxyphenylalanine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Tyr, (-)-alpha-Amino-p-hydroxyhydrocinnamic acid, L-2-Amino-3-p-hydroxyphenylpropanoic acid, L-Tyrosine, (S)-2-Amino-3-(4-hydroxyphenyl)propionic acid, 4-Hydroxyphenylalanine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY OUYCCCASQSFEME-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID50859040 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005706.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005706.txt index 6e05419e32d..4acdaf9c699 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005706.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005706.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005706 -RECORD_TITLE: Glc(alpha1-4)Glc, 4-O-alpha-D-Glucopyranosyl-D-glucopyranose monohydrate, Maltobiose, D-(+)- Maltose monohydrate, Malt Sugar; LC-ESI-QQ; MS2 +RECORD_TITLE: Glc(alpha1-4)Glc, 4-O-alpha-D-Glucopyranosyl-D-glucopyranose monohydrate, Maltobiose, D-(+)- Maltose monohydrate, Malt Sugar; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439186 CH$LINK: INCHIKEY GUBGYTABKSRVRQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005801.txt index 15fe407d6f9..dfc493ce449 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS005801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS005801 -RECORD_TITLE: Meat sugar, meso-Inositol, Phaseomannitol, cis-1,2,3,5-trans-4,6-Cyclohexanehexol, 1,2,3,4,5,6-Hexahydroxycyclohexane, myo-Inositol, i-Inositol, Cyclohexitol, Cyclohexanehexol; LC-ESI-QQ; MS2 +RECORD_TITLE: Meat sugar, meso-Inositol, Phaseomannitol, cis-1,2,3,5-trans-4,6-Cyclohexanehexol, 1,2,3,4,5,6-Hexahydroxycyclohexane, myo-Inositol, i-Inositol, Cyclohexitol, Cyclohexanehexol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: INCHIKEY CDAISMWEOUEBRE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30110000 CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006007.txt index 97867a2bc2d..cc3684ebf27 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS006007 -RECORD_TITLE: Fru(beta2-1alpha)Glc, alpha-D-Glucopyranosyl beta-D-fructofuranoside, Suc, Microse , Cane sugar, Sucrose, D-(+)-Saccharose; LC-ESI-QQ; MS2 +RECORD_TITLE: Fru(beta2-1alpha)Glc, alpha-D-Glucopyranosyl beta-D-fructofuranoside, Suc, Microse , Cane sugar, Sucrose, D-(+)-Saccharose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5988 CH$LINK: INCHIKEY CZMRCDWAGMRECN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006008.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006008.txt index 3ef8fbd23dd..a49be5925fb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006008.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS006008 -RECORD_TITLE: Fru(beta2-1alpha)Glc, alpha-D-Glucopyranosyl beta-D-fructofuranoside, Suc, Microse , Cane sugar, Sucrose, D-(+)-Saccharose; LC-ESI-QQ; MS2 +RECORD_TITLE: Fru(beta2-1alpha)Glc, alpha-D-Glucopyranosyl beta-D-fructofuranoside, Suc, Microse , Cane sugar, Sucrose, D-(+)-Saccharose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5988 CH$LINK: INCHIKEY CZMRCDWAGMRECN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006101.txt index ec8c55cabe5..2c18d3f8c04 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS006101 -RECORD_TITLE: 2,4-Dihydroxypyrimidine, Uracil, 2,4-Pyrimidinediol, 2,4(1H,3H)-Pyrimidinedione; LC-ESI-QQ; MS2 +RECORD_TITLE: 2,4-Dihydroxypyrimidine, Uracil, 2,4-Pyrimidinediol, 2,4(1H,3H)-Pyrimidinedione; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY ISAKRJDGNUQOIC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021424 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006102.txt index 1788f241581..d185fe81bd7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS006102 -RECORD_TITLE: 2,4-Dihydroxypyrimidine, Uracil, 2,4-Pyrimidinediol, 2,4(1H,3H)-Pyrimidinedione; LC-ESI-QQ; MS2 +RECORD_TITLE: 2,4-Dihydroxypyrimidine, Uracil, 2,4-Pyrimidinediol, 2,4(1H,3H)-Pyrimidinedione; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY ISAKRJDGNUQOIC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021424 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006107.txt index e60179920b2..7cb0f4f997d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS006107 -RECORD_TITLE: 2,4-Dihydroxypyrimidine, Uracil, 2,4-Pyrimidinediol, 2,4(1H,3H)-Pyrimidinedione; LC-ESI-QQ; MS2 +RECORD_TITLE: 2,4-Dihydroxypyrimidine, Uracil, 2,4-Pyrimidinediol, 2,4(1H,3H)-Pyrimidinedione; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY ISAKRJDGNUQOIC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4021424 CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006201.txt index eac854bfeb6..e6c7216afed 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS006201 -RECORD_TITLE: 4-Methyl-2-oxopentanoic acid, 2-Oxoisocaproic acid, Ketoleucine, 4-Methyl-2-oxovaleric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Methyl-2-oxopentanoic acid, 2-Oxoisocaproic acid, Ketoleucine, 4-Methyl-2-oxovaleric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY BKAJNAXTPSGJCU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6061157 CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006202.txt index 634d41ec346..1437dc5dbca 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS006202 -RECORD_TITLE: 4-Methyl-2-oxopentanoic acid, 2-Oxoisocaproic acid, Ketoleucine, 4-Methyl-2-oxovaleric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Methyl-2-oxopentanoic acid, 2-Oxoisocaproic acid, Ketoleucine, 4-Methyl-2-oxovaleric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY BKAJNAXTPSGJCU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6061157 CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006203.txt index 3588604a923..b3de547a224 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS006203 -RECORD_TITLE: 4-Methyl-2-oxopentanoic acid, 2-Oxoisocaproic acid, Ketoleucine, 4-Methyl-2-oxovaleric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Methyl-2-oxopentanoic acid, 2-Oxoisocaproic acid, Ketoleucine, 4-Methyl-2-oxovaleric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY BKAJNAXTPSGJCU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6061157 CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006207.txt index 25ef134f61f..f3ac25ae258 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS006207 -RECORD_TITLE: 4-Methyl-2-oxopentanoic acid, 2-Oxoisocaproic acid, Ketoleucine, 4-Methyl-2-oxovaleric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Methyl-2-oxopentanoic acid, 2-Oxoisocaproic acid, Ketoleucine, 4-Methyl-2-oxovaleric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY BKAJNAXTPSGJCU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6061157 CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006601.txt index c3d199de149..199c15adfdf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS006601 -RECORD_TITLE: L-2-Amino-3-(2-aminobenzoyl)propionic acid, L-Kynurenine, L-2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid, beta-Anthraniloyl-L-alanine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-2-Amino-3-(2-aminobenzoyl)propionic acid, L-Kynurenine, L-2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid, beta-Anthraniloyl-L-alanine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:161166 CH$LINK: INCHIKEY YGPSJZOEDVAXAB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006801.txt index e709d657209..49161208674 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS006801 -RECORD_TITLE: 1,4-Butanediamine, Putrescine, Tetramethylenediamine, 1,4-Diaminobutane; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,4-Butanediamine, Putrescine, Tetramethylenediamine, 1,4-Diaminobutane; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY KIDHWZJUCRJVML-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4041107 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006802.txt index a4080c920cf..744517432b0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS006802 -RECORD_TITLE: 1,4-Butanediamine, Putrescine, Tetramethylenediamine, 1,4-Diaminobutane; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,4-Butanediamine, Putrescine, Tetramethylenediamine, 1,4-Diaminobutane; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY KIDHWZJUCRJVML-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4041107 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006901.txt index 803a7772f6a..dfd2f3b563e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS006901 -RECORD_TITLE: beta-3-Indolylethylamine hydrochloride, Tryptamine Hydrochloride, 3-(2-Aminoethyl)indole Hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-3-Indolylethylamine hydrochloride, Tryptamine Hydrochloride, 3-(2-Aminoethyl)indole Hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY APJYDQYYACXCRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075340 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006902.txt index 8a63ce7a4cc..36a459bc8be 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS006902 -RECORD_TITLE: beta-3-Indolylethylamine hydrochloride, Tryptamine Hydrochloride, 3-(2-Aminoethyl)indole Hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-3-Indolylethylamine hydrochloride, Tryptamine Hydrochloride, 3-(2-Aminoethyl)indole Hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY APJYDQYYACXCRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075340 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006903.txt index 6f4610873c8..23ff9b596af 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS006903 -RECORD_TITLE: beta-3-Indolylethylamine hydrochloride, Tryptamine Hydrochloride, 3-(2-Aminoethyl)indole Hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-3-Indolylethylamine hydrochloride, Tryptamine Hydrochloride, 3-(2-Aminoethyl)indole Hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY APJYDQYYACXCRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075340 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006904.txt index b1982fa37ce..cb9ee72a198 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS006904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS006904 -RECORD_TITLE: beta-3-Indolylethylamine hydrochloride, Tryptamine Hydrochloride, 3-(2-Aminoethyl)indole Hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-3-Indolylethylamine hydrochloride, Tryptamine Hydrochloride, 3-(2-Aminoethyl)indole Hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY APJYDQYYACXCRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075340 CH$LINK: ChemOnt CHEMONTID:0000183; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Tryptamines and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007001.txt index 09f1634d191..5169553e5f7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007001 -RECORD_TITLE: 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY HSHNITRMYYLLCV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025670 CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007002.txt index 4d6798bcd2f..9fdbeb30eb4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007002 -RECORD_TITLE: 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY HSHNITRMYYLLCV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025670 CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007003.txt index 33f9cff83c8..3bbf97038da 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007003 -RECORD_TITLE: 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY HSHNITRMYYLLCV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025670 CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007005.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007005.txt index 5bee31f8ecb..9acf3bc5194 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007005.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007005 -RECORD_TITLE: 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY HSHNITRMYYLLCV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025670 CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007006.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007006.txt index 8b3ad4f6876..a2f3d144510 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007006.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007006.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007006 -RECORD_TITLE: 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY HSHNITRMYYLLCV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025670 CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007007.txt index f9f59bafaba..c813d2d1f1d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007007 -RECORD_TITLE: 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY HSHNITRMYYLLCV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025670 CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007008.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007008.txt index eea19073614..6b3e988f341 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007008.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007008 -RECORD_TITLE: 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY HSHNITRMYYLLCV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025670 CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007009.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007009.txt index 95175815713..05c7c60fb4c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007009.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007009 -RECORD_TITLE: 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Methylumbelliferone, Cholestil, beta-Methylumbelliferone, 7-Hydroxy-4-methylcoumarin, 4-MU, Hymecromone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY HSHNITRMYYLLCV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8025670 CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007101.txt index b7324853110..f0c6ca9b53d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007101 -RECORD_TITLE: Calcium (+)-pantothenate, D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5; LC-ESI-QQ; MS2 +RECORD_TITLE: Calcium (+)-pantothenate, D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY GHOKWGTUZJEAQD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7047229 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007102.txt index 3400a920372..65a5b4104d1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007102 -RECORD_TITLE: Calcium (+)-pantothenate, D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5; LC-ESI-QQ; MS2 +RECORD_TITLE: Calcium (+)-pantothenate, D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY GHOKWGTUZJEAQD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7047229 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007103.txt index 8fbad8c56c2..0cf875b6461 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007103 -RECORD_TITLE: Calcium (+)-pantothenate, D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5; LC-ESI-QQ; MS2 +RECORD_TITLE: Calcium (+)-pantothenate, D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY GHOKWGTUZJEAQD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7047229 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007107.txt index 12b48f8c1fa..f697a162770 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007107 -RECORD_TITLE: Calcium (+)-pantothenate, D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5; LC-ESI-QQ; MS2 +RECORD_TITLE: Calcium (+)-pantothenate, D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY GHOKWGTUZJEAQD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7047229 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007108.txt index ca7c7c0bb78..abebbd930b6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007108 -RECORD_TITLE: Calcium (+)-pantothenate, D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5; LC-ESI-QQ; MS2 +RECORD_TITLE: Calcium (+)-pantothenate, D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY GHOKWGTUZJEAQD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7047229 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007201.txt index 4ca5fb7ca94..7bb6e492ef8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007201 -RECORD_TITLE: Phenyl styryl ketone, 1,3-Diphenyl-2-propenone, Chalcone, Benzalacetophenone; LC-ESI-QQ; MS2 +RECORD_TITLE: Phenyl styryl ketone, 1,3-Diphenyl-2-propenone, Chalcone, Benzalacetophenone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY DQFBYFPFKXHELB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022531 CH$LINK: ChemOnt CHEMONTID:0001630; Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids; Chalcones and dihydrochalcones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007202.txt index 830f3113211..7dbc592c8dd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007202 -RECORD_TITLE: Phenyl styryl ketone, 1,3-Diphenyl-2-propenone, Chalcone, Benzalacetophenone; LC-ESI-QQ; MS2 +RECORD_TITLE: Phenyl styryl ketone, 1,3-Diphenyl-2-propenone, Chalcone, Benzalacetophenone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY DQFBYFPFKXHELB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022531 CH$LINK: ChemOnt CHEMONTID:0001630; Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids; Chalcones and dihydrochalcones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007203.txt index 921df2bf182..e3f25a9410d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007203 -RECORD_TITLE: Phenyl styryl ketone, 1,3-Diphenyl-2-propenone, Chalcone, Benzalacetophenone; LC-ESI-QQ; MS2 +RECORD_TITLE: Phenyl styryl ketone, 1,3-Diphenyl-2-propenone, Chalcone, Benzalacetophenone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY DQFBYFPFKXHELB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022531 CH$LINK: ChemOnt CHEMONTID:0001630; Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids; Chalcones and dihydrochalcones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007204.txt index 71a79336193..469d7c0b1ea 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007204 -RECORD_TITLE: Phenyl styryl ketone, 1,3-Diphenyl-2-propenone, Chalcone, Benzalacetophenone; LC-ESI-QQ; MS2 +RECORD_TITLE: Phenyl styryl ketone, 1,3-Diphenyl-2-propenone, Chalcone, Benzalacetophenone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY DQFBYFPFKXHELB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022531 CH$LINK: ChemOnt CHEMONTID:0001630; Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids; Chalcones and dihydrochalcones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007205.txt index 36e530fbd5d..1e2e8ff587a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007205 -RECORD_TITLE: Phenyl styryl ketone, 1,3-Diphenyl-2-propenone, Chalcone, Benzalacetophenone; LC-ESI-QQ; MS2 +RECORD_TITLE: Phenyl styryl ketone, 1,3-Diphenyl-2-propenone, Chalcone, Benzalacetophenone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY DQFBYFPFKXHELB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022531 CH$LINK: ChemOnt CHEMONTID:0001630; Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids; Chalcones and dihydrochalcones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007206.txt index 74584f53e08..44ffe661067 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007206 -RECORD_TITLE: Phenyl styryl ketone, 1,3-Diphenyl-2-propenone, Chalcone, Benzalacetophenone; LC-ESI-QQ; MS2 +RECORD_TITLE: Phenyl styryl ketone, 1,3-Diphenyl-2-propenone, Chalcone, Benzalacetophenone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY DQFBYFPFKXHELB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022531 CH$LINK: ChemOnt CHEMONTID:0001630; Organic compounds; Phenylpropanoids and polyketides; Linear 1,3-diarylpropanoids; Chalcones and dihydrochalcones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007307.txt index eb8a5aaee5a..c79428aaef8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007307 -RECORD_TITLE: D-galacturonate, D(+)-Galacturonic acid monohydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: D-galacturonate, D(+)-Galacturonic acid monohydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439215 CH$LINK: INCHIKEY AEMOLEFTQBMNLQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007401.txt index da4ef5b3563..1f386574dee 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007401 -RECORD_TITLE: 2-Amino-3-deoxy-D-galactose Hydrochloride, D(+)-Galactosamine hydrochloride, D-Chondrosamine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Amino-3-deoxy-D-galactose Hydrochloride, D(+)-Galactosamine hydrochloride, D-Chondrosamine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:24154 CH$LINK: INCHIKEY MSWZFWKMSRAUBD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007402.txt index fd467a935cb..49b611519e9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007402 -RECORD_TITLE: 2-Amino-3-deoxy-D-galactose Hydrochloride, D(+)-Galactosamine hydrochloride, D-Chondrosamine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Amino-3-deoxy-D-galactose Hydrochloride, D(+)-Galactosamine hydrochloride, D-Chondrosamine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:24154 CH$LINK: INCHIKEY MSWZFWKMSRAUBD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007403.txt index 3884af04077..6b01da5a03c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007403 -RECORD_TITLE: 2-Amino-3-deoxy-D-galactose Hydrochloride, D(+)-Galactosamine hydrochloride, D-Chondrosamine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Amino-3-deoxy-D-galactose Hydrochloride, D(+)-Galactosamine hydrochloride, D-Chondrosamine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:24154 CH$LINK: INCHIKEY MSWZFWKMSRAUBD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007601.txt index b840936a45c..413eb145927 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007601 -RECORD_TITLE: Nicotinic Acid, 3-Picolinic acid, Pellagra preventive factor, Nicotinate, Niacin, Pyridine-3-carbonic acid, Vitamin B3; LC-ESI-QQ; MS2 +RECORD_TITLE: Nicotinic Acid, 3-Picolinic acid, Pellagra preventive factor, Nicotinate, Niacin, Pyridine-3-carbonic acid, Vitamin B3; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: INCHIKEY PVNIIMVLHYAWGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020932 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007602.txt index ea2fe987b0f..292def85548 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007602 -RECORD_TITLE: Nicotinic Acid, 3-Picolinic acid, Pellagra preventive factor, Nicotinate, Niacin, Pyridine-3-carbonic acid, Vitamin B3; LC-ESI-QQ; MS2 +RECORD_TITLE: Nicotinic Acid, 3-Picolinic acid, Pellagra preventive factor, Nicotinate, Niacin, Pyridine-3-carbonic acid, Vitamin B3; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: INCHIKEY PVNIIMVLHYAWGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020932 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007603.txt index 6df916b6c99..908294ff8b9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007603 -RECORD_TITLE: Nicotinic Acid, 3-Picolinic acid, Pellagra preventive factor, Nicotinate, Niacin, Pyridine-3-carbonic acid, Vitamin B3; LC-ESI-QQ; MS2 +RECORD_TITLE: Nicotinic Acid, 3-Picolinic acid, Pellagra preventive factor, Nicotinate, Niacin, Pyridine-3-carbonic acid, Vitamin B3; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: INCHIKEY PVNIIMVLHYAWGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1020932 CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007701.txt index 3d5ec9b9170..495a7651d87 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007701 -RECORD_TITLE: Ethanedioic acid dihydrate, Oxalate, Ethanedioic acid, Oxalic acid Dihydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Ethanedioic acid dihydrate, Oxalate, Ethanedioic acid, Oxalic acid Dihydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY MUBZPKHOEPUJKR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0025816 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007801.txt index a361c17878e..9c9266c8335 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007801 -RECORD_TITLE: Sodium pyruvate, Pyruvic acid sodium salt, Acetylformic acid, 2-Oxopropanoic acid sodium salt, alpha-Ketopropionic acid sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Sodium pyruvate, Pyruvic acid sodium salt, Acetylformic acid, 2-Oxopropanoic acid sodium salt, alpha-Ketopropionic acid sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY LCTONWCANYUPML-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021650 CH$LINK: ChemOnt CHEMONTID:0001113; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007802.txt index becbf563c27..2cd1fb0087e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007802 -RECORD_TITLE: Sodium pyruvate, Pyruvic acid sodium salt, Acetylformic acid, 2-Oxopropanoic acid sodium salt, alpha-Ketopropionic acid sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Sodium pyruvate, Pyruvic acid sodium salt, Acetylformic acid, 2-Oxopropanoic acid sodium salt, alpha-Ketopropionic acid sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY LCTONWCANYUPML-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2021650 CH$LINK: ChemOnt CHEMONTID:0001113; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007901.txt index 365895a191e..af5bd2a27d4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007901 -RECORD_TITLE: Acetonic Acid, 2-Hydroxy-2-methylpropionic acid, 2-Methyllactic acid, 2-Hydroxyisobutyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Acetonic Acid, 2-Hydroxy-2-methylpropionic acid, 2-Methyllactic acid, 2-Hydroxyisobutyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY BWLBGMIXKSTLSX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4032954 CH$LINK: ChemOnt CHEMONTID:0001359; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Alpha hydroxy acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007907.txt index 93d93f332c8..f0fb4b3e7df 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS007907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS007907 -RECORD_TITLE: Acetonic Acid, 2-Hydroxy-2-methylpropionic acid, 2-Methyllactic acid, 2-Hydroxyisobutyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Acetonic Acid, 2-Hydroxy-2-methylpropionic acid, 2-Methyllactic acid, 2-Hydroxyisobutyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY BWLBGMIXKSTLSX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4032954 CH$LINK: ChemOnt CHEMONTID:0001359; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Alpha hydroxy acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008001.txt index 594d29da1b5..74da53b0c05 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS008001 -RECORD_TITLE: 2-Oxopyridine, 2-Pyridinol, 2-Hydroxypyridine, 2(1H)-Pyridone; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Oxopyridine, 2-Pyridinol, 2-Hydroxypyridine, 2(1H)-Pyridone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY UBQKCCHYAOITMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2051716 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008002.txt index 46b67e1f9d4..e5ada594404 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS008002 -RECORD_TITLE: 2-Oxopyridine, 2-Pyridinol, 2-Hydroxypyridine, 2(1H)-Pyridone; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Oxopyridine, 2-Pyridinol, 2-Hydroxypyridine, 2(1H)-Pyridone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY UBQKCCHYAOITMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2051716 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008003.txt index 718e0fb0d57..1f07aec335a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS008003 -RECORD_TITLE: 2-Oxopyridine, 2-Pyridinol, 2-Hydroxypyridine, 2(1H)-Pyridone; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Oxopyridine, 2-Pyridinol, 2-Hydroxypyridine, 2(1H)-Pyridone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY UBQKCCHYAOITMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2051716 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008004.txt index cc2ca284e5e..3d83a7c2a4d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS008004 -RECORD_TITLE: 2-Oxopyridine, 2-Pyridinol, 2-Hydroxypyridine, 2(1H)-Pyridone; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Oxopyridine, 2-Pyridinol, 2-Hydroxypyridine, 2(1H)-Pyridone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY UBQKCCHYAOITMY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2051716 CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008101.txt index 21aa79279a9..d437e976290 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS008101 -RECORD_TITLE: Indole-3-acetonitrile, 3-(Cyanomethyl)indole, 3-Indolylacetonitrile; LC-ESI-QQ; MS2 +RECORD_TITLE: Indole-3-acetonitrile, 3-(Cyanomethyl)indole, 3-Indolylacetonitrile; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY DMCPFOBLJMLSNX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5061118 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008201.txt index 6f563b6225f..7c8a7752728 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS008201 -RECORD_TITLE: Lithum Acetoacetate, 3-Keto-n-butyric Acid Lithium Salt, Acetoacetic acid lithium salt, 3-oxobutyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Lithum Acetoacetate, 3-Keto-n-butyric Acid Lithium Salt, Acetoacetic acid lithium salt, 3-oxobutyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY WDJHALXBUFZDSR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00202441 CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008301.txt index 4d103b85702..86329fc21bf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS008301 -RECORD_TITLE: 2-Propenolc acid, Vinylformic acid, Acrylic acid, Propenoate, Ethylenecarboxylic acid, Acrylate; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Propenolc acid, Vinylformic acid, Acrylic acid, Propenoate, Ethylenecarboxylic acid, Acrylate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY NIXOWILDQLNWCW-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0039229 CH$LINK: ChemOnt CHEMONTID:0004450; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Acrylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008601.txt index 0053a94a4c8..e740c037a95 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS008601 -RECORD_TITLE: Butyric acid, butyrate, 1-Propanecarboxylic acid, Tetranoic Acid, Ethylacetic acid, n-Propylformic Acid, 1-Butyric acid, n-Butanic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Butyric acid, butyrate, 1-Propanecarboxylic acid, Tetranoic Acid, Ethylacetic acid, n-Propylformic Acid, 1-Butyric acid, n-Butanic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: INCHIKEY FERIUCNNQQJTOY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021515 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008602.txt index a49f37637bd..74dde7e932b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS008602 -RECORD_TITLE: Butyric acid, butyrate, 1-Propanecarboxylic acid, Tetranoic Acid, Ethylacetic acid, n-Propylformic Acid, 1-Butyric acid, n-Butanic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Butyric acid, butyrate, 1-Propanecarboxylic acid, Tetranoic Acid, Ethylacetic acid, n-Propylformic Acid, 1-Butyric acid, n-Butanic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: INCHIKEY FERIUCNNQQJTOY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8021515 CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008801.txt index a8b0ef792bb..83003bd6e9a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS008801 -RECORD_TITLE: 2,5-Dihydroxy-1,4-dioxane, Glycolaldehyde dimer,mixture of stereoisomers, Hydroxyacetaldehyde dimer, 1,4-Dioxane-2,5-diol; LC-ESI-QQ; MS2 +RECORD_TITLE: 2,5-Dihydroxy-1,4-dioxane, Glycolaldehyde dimer,mixture of stereoisomers, Hydroxyacetaldehyde dimer, 1,4-Dioxane-2,5-diol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY ATFVTAOSZBVGHC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID60945822 CH$LINK: ChemOnt CHEMONTID:0001313; Organic compounds; Organoheterocyclic compounds; Dioxanes; 1,4-dioxanes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008901.txt index 6f610ce4905..c44535e650d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS008901 -RECORD_TITLE: 1-Hexanamine, 1-Aminohexane, Hexylamine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Hexanamine, 1-Aminohexane, Hexylamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY BMVXCPBXGZKUPN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021930 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008902.txt index bfa06c6ee9d..82d5a24bf76 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS008902 -RECORD_TITLE: 1-Hexanamine, 1-Aminohexane, Hexylamine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Hexanamine, 1-Aminohexane, Hexylamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY BMVXCPBXGZKUPN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021930 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008903.txt index a8c7167965c..a6b8697c919 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS008903 -RECORD_TITLE: 1-Hexanamine, 1-Aminohexane, Hexylamine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Hexanamine, 1-Aminohexane, Hexylamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY BMVXCPBXGZKUPN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021930 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008904.txt index 25bf24c99b8..2599667eb41 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS008904 -RECORD_TITLE: 1-Hexanamine, 1-Aminohexane, Hexylamine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Hexanamine, 1-Aminohexane, Hexylamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY BMVXCPBXGZKUPN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021930 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008905.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008905.txt index 30fdcb8aa78..d810d453548 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008905.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS008905 -RECORD_TITLE: 1-Hexanamine, 1-Aminohexane, Hexylamine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Hexanamine, 1-Aminohexane, Hexylamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY BMVXCPBXGZKUPN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021930 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008906.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008906.txt index 8c52b8fffe7..f7bc34bff06 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008906.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS008906.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS008906 -RECORD_TITLE: 1-Hexanamine, 1-Aminohexane, Hexylamine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Hexanamine, 1-Aminohexane, Hexylamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY BMVXCPBXGZKUPN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3021930 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009101.txt index 6e966f699f8..7c15ea246c1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009101 -RECORD_TITLE: Indole-3-aldehyde, beta-Indolylaldehyde, 3-Formylindole, 1H-indole-3-carbaldehyde, Indole-3-carboxaldehyde , Indole-3-carboxyaldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Indole-3-aldehyde, beta-Indolylaldehyde, 3-Formylindole, 1H-indole-3-carbaldehyde, Indole-3-carboxaldehyde , Indole-3-carboxyaldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY OLNJUISKUQQNIM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5060069 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009102.txt index 197d51e0a31..189b13bfb23 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009102 -RECORD_TITLE: Indole-3-aldehyde, beta-Indolylaldehyde, 3-Formylindole, 1H-indole-3-carbaldehyde, Indole-3-carboxaldehyde , Indole-3-carboxyaldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Indole-3-aldehyde, beta-Indolylaldehyde, 3-Formylindole, 1H-indole-3-carbaldehyde, Indole-3-carboxaldehyde , Indole-3-carboxyaldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY OLNJUISKUQQNIM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5060069 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009103.txt index ac6323f8af2..39e722ace95 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009103 -RECORD_TITLE: Indole-3-aldehyde, beta-Indolylaldehyde, 3-Formylindole, 1H-indole-3-carbaldehyde, Indole-3-carboxaldehyde , Indole-3-carboxyaldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Indole-3-aldehyde, beta-Indolylaldehyde, 3-Formylindole, 1H-indole-3-carbaldehyde, Indole-3-carboxaldehyde , Indole-3-carboxyaldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY OLNJUISKUQQNIM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5060069 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009104.txt index 973d6a255ea..accf740f66f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009104 -RECORD_TITLE: Indole-3-aldehyde, beta-Indolylaldehyde, 3-Formylindole, 1H-indole-3-carbaldehyde, Indole-3-carboxaldehyde , Indole-3-carboxyaldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Indole-3-aldehyde, beta-Indolylaldehyde, 3-Formylindole, 1H-indole-3-carbaldehyde, Indole-3-carboxaldehyde , Indole-3-carboxyaldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY OLNJUISKUQQNIM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5060069 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009105.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009105.txt index 01da12c4e05..9d74e29b9b1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009105.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009105 -RECORD_TITLE: Indole-3-aldehyde, beta-Indolylaldehyde, 3-Formylindole, 1H-indole-3-carbaldehyde, Indole-3-carboxaldehyde , Indole-3-carboxyaldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Indole-3-aldehyde, beta-Indolylaldehyde, 3-Formylindole, 1H-indole-3-carbaldehyde, Indole-3-carboxaldehyde , Indole-3-carboxyaldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY OLNJUISKUQQNIM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5060069 CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009301.txt index 9ba4014632a..f9d88816d76 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009301 -RECORD_TITLE: Mesaconic acid, trans-2-Methyl-2-butenedioic acid, Methylfumaric acid, Mesaconate; LC-ESI-QQ; MS2 +RECORD_TITLE: Mesaconic acid, trans-2-Methyl-2-butenedioic acid, Methylfumaric acid, Mesaconate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:638129 CH$LINK: INCHIKEY HNEGQIOMVPPMNR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009302.txt index 1d2ee65c361..c2c0207be0b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009302 -RECORD_TITLE: Mesaconic acid, trans-2-Methyl-2-butenedioic acid, Methylfumaric acid, Mesaconate; LC-ESI-QQ; MS2 +RECORD_TITLE: Mesaconic acid, trans-2-Methyl-2-butenedioic acid, Methylfumaric acid, Mesaconate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:638129 CH$LINK: INCHIKEY HNEGQIOMVPPMNR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009303.txt index 7578024d1ca..0aa67661f94 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009303 -RECORD_TITLE: Mesaconic acid, trans-2-Methyl-2-butenedioic acid, Methylfumaric acid, Mesaconate; LC-ESI-QQ; MS2 +RECORD_TITLE: Mesaconic acid, trans-2-Methyl-2-butenedioic acid, Methylfumaric acid, Mesaconate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:638129 CH$LINK: INCHIKEY HNEGQIOMVPPMNR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009307.txt index 419d6331b89..a7c728e93bd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009307 -RECORD_TITLE: Mesaconic acid, trans-2-Methyl-2-butenedioic acid, Methylfumaric acid, Mesaconate; LC-ESI-QQ; MS2 +RECORD_TITLE: Mesaconic acid, trans-2-Methyl-2-butenedioic acid, Methylfumaric acid, Mesaconate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:638129 CH$LINK: INCHIKEY HNEGQIOMVPPMNR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009502.txt index f338cd6e7f7..f5a0d404f8e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009502 -RECORD_TITLE: 2-Methylpropanedioic acid, Methylmalonic acid, Isosuccinic acid, 1,1-Ethanedicarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Methylpropanedioic acid, Methylmalonic acid, Isosuccinic acid, 1,1-Ethanedicarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY ZIYVHBGGAOATLY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00199549 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009506.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009506.txt index f57ec4fbe67..3915b4b8b86 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009506.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009506 -RECORD_TITLE: 2-Methylpropanedioic acid, Methylmalonic acid, Isosuccinic acid, 1,1-Ethanedicarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Methylpropanedioic acid, Methylmalonic acid, Isosuccinic acid, 1,1-Ethanedicarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY ZIYVHBGGAOATLY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00199549 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009508.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009508.txt index 48ce214320a..e210bc04f64 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009508.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009508 -RECORD_TITLE: 2-Methylpropanedioic acid, Methylmalonic acid, Isosuccinic acid, 1,1-Ethanedicarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Methylpropanedioic acid, Methylmalonic acid, Isosuccinic acid, 1,1-Ethanedicarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY ZIYVHBGGAOATLY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID00199549 CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009607.txt index 934cce7e09b..14acb2ab28a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009607 -RECORD_TITLE: Pentachlorophenol, Permacide, Fungifen, PCP, Chlorophen; LC-ESI-QQ; MS2 +RECORD_TITLE: Pentachlorophenol, Permacide, Fungifen, PCP, Chlorophen; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY IZUPBVBPLAPZRR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021106 CH$LINK: ChemOnt CHEMONTID:0002320; Organic compounds; Benzenoids; Phenols; Halophenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009608.txt index 7076ed624fc..d93df1c3ee3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009608 -RECORD_TITLE: Pentachlorophenol, Permacide, Fungifen, PCP, Chlorophen; LC-ESI-QQ; MS2 +RECORD_TITLE: Pentachlorophenol, Permacide, Fungifen, PCP, Chlorophen; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY IZUPBVBPLAPZRR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021106 CH$LINK: ChemOnt CHEMONTID:0002320; Organic compounds; Benzenoids; Phenols; Halophenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009609.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009609.txt index c11a32049ac..e7427317b52 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009609.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009609.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009609 -RECORD_TITLE: Pentachlorophenol, Permacide, Fungifen, PCP, Chlorophen; LC-ESI-QQ; MS2 +RECORD_TITLE: Pentachlorophenol, Permacide, Fungifen, PCP, Chlorophen; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY IZUPBVBPLAPZRR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7021106 CH$LINK: ChemOnt CHEMONTID:0002320; Organic compounds; Benzenoids; Phenols; Halophenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009701.txt index 3a1f06bbadd..79cbbe69e19 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009701 -RECORD_TITLE: Phytol,mixture of isomers, 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; LC-ESI-QQ; MS2 +RECORD_TITLE: Phytol,mixture of isomers, 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY BOTWFXYSPFMFNR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40859291 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009702.txt index b2923576531..c74ac0df466 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009702 -RECORD_TITLE: Phytol,mixture of isomers, 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; LC-ESI-QQ; MS2 +RECORD_TITLE: Phytol,mixture of isomers, 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY BOTWFXYSPFMFNR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40859291 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009703.txt index 5e68e772a18..67fc2337768 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009703 -RECORD_TITLE: Phytol,mixture of isomers, 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; LC-ESI-QQ; MS2 +RECORD_TITLE: Phytol,mixture of isomers, 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY BOTWFXYSPFMFNR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40859291 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009704.txt index 9f2b34c51b4..0bdc2f32d15 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009704 -RECORD_TITLE: Phytol,mixture of isomers, 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; LC-ESI-QQ; MS2 +RECORD_TITLE: Phytol,mixture of isomers, 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY BOTWFXYSPFMFNR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40859291 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009705.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009705.txt index b9260e62b69..a47ad33497c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009705.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009705 -RECORD_TITLE: Phytol,mixture of isomers, 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; LC-ESI-QQ; MS2 +RECORD_TITLE: Phytol,mixture of isomers, 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY BOTWFXYSPFMFNR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40859291 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009706.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009706.txt index 03a1ba2aa59..77557bab83c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009706.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009706.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009706 -RECORD_TITLE: Phytol,mixture of isomers, 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; LC-ESI-QQ; MS2 +RECORD_TITLE: Phytol,mixture of isomers, 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY BOTWFXYSPFMFNR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40859291 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009801.txt index a4255670203..1e18883aa4d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009801 -RECORD_TITLE: Hexahydropyrazine, 1,4-Diazacyclohexane, Diethylenediamine, Hexahydro-1,4-diazine, Piperazine; LC-ESI-QQ; MS2 +RECORD_TITLE: Hexahydropyrazine, 1,4-Diazacyclohexane, Diethylenediamine, Hexahydro-1,4-diazine, Piperazine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY GLUUGHFHXGJENI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021164 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009802.txt index 4704d683c65..ec6d9dca5cd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009802 -RECORD_TITLE: Hexahydropyrazine, 1,4-Diazacyclohexane, Diethylenediamine, Hexahydro-1,4-diazine, Piperazine; LC-ESI-QQ; MS2 +RECORD_TITLE: Hexahydropyrazine, 1,4-Diazacyclohexane, Diethylenediamine, Hexahydro-1,4-diazine, Piperazine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY GLUUGHFHXGJENI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021164 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009803.txt index 523d88e39e1..11640aea140 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009803 -RECORD_TITLE: Hexahydropyrazine, 1,4-Diazacyclohexane, Diethylenediamine, Hexahydro-1,4-diazine, Piperazine; LC-ESI-QQ; MS2 +RECORD_TITLE: Hexahydropyrazine, 1,4-Diazacyclohexane, Diethylenediamine, Hexahydro-1,4-diazine, Piperazine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY GLUUGHFHXGJENI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021164 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009804.txt index 189070eed84..5a4d1480464 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009804 -RECORD_TITLE: Hexahydropyrazine, 1,4-Diazacyclohexane, Diethylenediamine, Hexahydro-1,4-diazine, Piperazine; LC-ESI-QQ; MS2 +RECORD_TITLE: Hexahydropyrazine, 1,4-Diazacyclohexane, Diethylenediamine, Hexahydro-1,4-diazine, Piperazine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY GLUUGHFHXGJENI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1021164 CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009901.txt index b7cdd43dca2..0a482f35aa9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009901 -RECORD_TITLE: 4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol dihydrochloride, Pyridoxylamine dihydrochloride, Pyridoxamine dihydrochloride ; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol dihydrochloride, Pyridoxylamine dihydrochloride, Pyridoxamine dihydrochloride ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY NHZMQXZHNVQTQA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6046929 CH$LINK: ChemOnt CHEMONTID:0001966; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009902.txt index fca20dc2725..0a0d219cde4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009902 -RECORD_TITLE: 4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol dihydrochloride, Pyridoxylamine dihydrochloride, Pyridoxamine dihydrochloride ; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol dihydrochloride, Pyridoxylamine dihydrochloride, Pyridoxamine dihydrochloride ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY NHZMQXZHNVQTQA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6046929 CH$LINK: ChemOnt CHEMONTID:0001966; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009903.txt index b4b6a9570e6..cce50c5639a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009903 -RECORD_TITLE: 4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol dihydrochloride, Pyridoxylamine dihydrochloride, Pyridoxamine dihydrochloride ; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol dihydrochloride, Pyridoxylamine dihydrochloride, Pyridoxamine dihydrochloride ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY NHZMQXZHNVQTQA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6046929 CH$LINK: ChemOnt CHEMONTID:0001966; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009904.txt index ef4263a5fea..83bf1b5f2a2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS009904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS009904 -RECORD_TITLE: 4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol dihydrochloride, Pyridoxylamine dihydrochloride, Pyridoxamine dihydrochloride ; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-(Aminomethyl)-5-hydroxy-6-methyl-3-pyridinemethanol dihydrochloride, Pyridoxylamine dihydrochloride, Pyridoxamine dihydrochloride ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: INCHIKEY NHZMQXZHNVQTQA-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6046929 CH$LINK: ChemOnt CHEMONTID:0001966; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxamines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010002.txt index e50255e9f19..67f243bc8c9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS010002 -RECORD_TITLE: 4-Hydroxy-3,5-dimethoxycinnamyl alcohol, Sinapyl alcohol; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Hydroxy-3,5-dimethoxycinnamyl alcohol, Sinapyl alcohol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5280507 CH$LINK: INCHIKEY LZFOPEXOUVTGJS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010401.txt index 4e80c43921b..26670608fcf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS010401 -RECORD_TITLE: trans-Cinnamaldehyde, trans-3-Phenyl-2-propenal, trans-Phenylacrolein, trans-Phenylacrylaldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-Cinnamaldehyde, trans-3-Phenyl-2-propenal, trans-Phenylacrolein, trans-Phenylacrylaldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY KJPRLNWUNMBNBZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024835 CH$LINK: ChemOnt CHEMONTID:0000029; Organic compounds; Phenylpropanoids and polyketides; Cinnamaldehydes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010501.txt index 9e2c6e74327..228a75e4c6b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS010501 -RECORD_TITLE: trans-3-Phenylacrylic acid, trans-Cinnamic acid, trans-beta-Carboxystyrene, 3-Phenylpropenoic Acid, Zimtsaeure, trans-3-Benzenepropenoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-3-Phenylacrylic acid, trans-Cinnamic acid, trans-beta-Carboxystyrene, 3-Phenylpropenoic Acid, Zimtsaeure, trans-3-Benzenepropenoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: INCHIKEY WBYWAXJHAXSJNI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID40110056 CH$LINK: ChemOnt CHEMONTID:0002504; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Cinnamic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010601.txt index 58f37a33d11..68962ab03c2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS010601 -RECORD_TITLE: 3-Methyladenine, 6-Amino-3-methylpurine; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Methyladenine, 6-Amino-3-methylpurine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY FSASIHFSFGAIJM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80199406 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010602.txt index 5fe31a9afdd..0ec9eb4241c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS010602 -RECORD_TITLE: 3-Methyladenine, 6-Amino-3-methylpurine; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Methyladenine, 6-Amino-3-methylpurine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY FSASIHFSFGAIJM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80199406 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010603.txt index 1cb2b227afc..0abedf089b2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS010603 -RECORD_TITLE: 3-Methyladenine, 6-Amino-3-methylpurine; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Methyladenine, 6-Amino-3-methylpurine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY FSASIHFSFGAIJM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID80199406 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010701.txt index b6e28fdfc1e..cbb450e3969 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS010701 -RECORD_TITLE: Amben, gamma-Aminobenzoic acid, Vitamin Bx, 4-Aminobenzoic acid, 4-Aminobenzoate, PABA, 1-Amino-4-carboxybenzene, Vitamin H1, Paraminol, 4-Carboxyaniline, ABEE; LC-ESI-QQ; MS2 +RECORD_TITLE: Amben, gamma-Aminobenzoic acid, Vitamin Bx, 4-Aminobenzoic acid, 4-Aminobenzoate, PABA, 1-Amino-4-carboxybenzene, Vitamin H1, Paraminol, 4-Carboxyaniline, ABEE; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024466 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010702.txt index 11f940e203e..5422771ea3a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS010702 -RECORD_TITLE: Amben, gamma-Aminobenzoic acid, Vitamin Bx, 4-Aminobenzoic acid, 4-Aminobenzoate, PABA, 1-Amino-4-carboxybenzene, Vitamin H1, Paraminol, 4-Carboxyaniline, ABEE; LC-ESI-QQ; MS2 +RECORD_TITLE: Amben, gamma-Aminobenzoic acid, Vitamin Bx, 4-Aminobenzoic acid, 4-Aminobenzoate, PABA, 1-Amino-4-carboxybenzene, Vitamin H1, Paraminol, 4-Carboxyaniline, ABEE; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024466 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010703.txt index 61a79f7754a..b5c77c118f8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS010703 -RECORD_TITLE: Amben, gamma-Aminobenzoic acid, Vitamin Bx, 4-Aminobenzoic acid, 4-Aminobenzoate, PABA, 1-Amino-4-carboxybenzene, Vitamin H1, Paraminol, 4-Carboxyaniline, ABEE; LC-ESI-QQ; MS2 +RECORD_TITLE: Amben, gamma-Aminobenzoic acid, Vitamin Bx, 4-Aminobenzoic acid, 4-Aminobenzoate, PABA, 1-Amino-4-carboxybenzene, Vitamin H1, Paraminol, 4-Carboxyaniline, ABEE; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024466 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010704.txt index 6dcec9bb820..995665f950f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS010704 -RECORD_TITLE: Amben, gamma-Aminobenzoic acid, Vitamin Bx, 4-Aminobenzoic acid, 4-Aminobenzoate, PABA, 1-Amino-4-carboxybenzene, Vitamin H1, Paraminol, 4-Carboxyaniline, ABEE; LC-ESI-QQ; MS2 +RECORD_TITLE: Amben, gamma-Aminobenzoic acid, Vitamin Bx, 4-Aminobenzoic acid, 4-Aminobenzoate, PABA, 1-Amino-4-carboxybenzene, Vitamin H1, Paraminol, 4-Carboxyaniline, ABEE; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024466 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010705.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010705.txt index c40a7353680..33f0d6fc6b9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010705.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS010705 -RECORD_TITLE: Amben, gamma-Aminobenzoic acid, Vitamin Bx, 4-Aminobenzoic acid, 4-Aminobenzoate, PABA, 1-Amino-4-carboxybenzene, Vitamin H1, Paraminol, 4-Carboxyaniline, ABEE; LC-ESI-QQ; MS2 +RECORD_TITLE: Amben, gamma-Aminobenzoic acid, Vitamin Bx, 4-Aminobenzoic acid, 4-Aminobenzoate, PABA, 1-Amino-4-carboxybenzene, Vitamin H1, Paraminol, 4-Carboxyaniline, ABEE; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: INCHIKEY ALYNCZNDIQEVRV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID6024466 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010901.txt index 80b2ad600e5..de10f99eab0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS010901 -RECORD_TITLE: ADP, Adenosine-5'-diphosphate Di(monocyclohexylammonium)salt; LC-ESI-QQ; MS2 +RECORD_TITLE: ADP, Adenosine-5'-diphosphate Di(monocyclohexylammonium)salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6022 CH$LINK: INCHIKEY XTWYTFMLZFPYCI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010902.txt index 21cc25a09dc..8df44401830 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS010902 -RECORD_TITLE: ADP, Adenosine-5'-diphosphate Di(monocyclohexylammonium)salt; LC-ESI-QQ; MS2 +RECORD_TITLE: ADP, Adenosine-5'-diphosphate Di(monocyclohexylammonium)salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6022 CH$LINK: INCHIKEY XTWYTFMLZFPYCI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010903.txt index 1e2ceda4ad7..7d7318993bf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS010903 -RECORD_TITLE: ADP, Adenosine-5'-diphosphate Di(monocyclohexylammonium)salt; LC-ESI-QQ; MS2 +RECORD_TITLE: ADP, Adenosine-5'-diphosphate Di(monocyclohexylammonium)salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6022 CH$LINK: INCHIKEY XTWYTFMLZFPYCI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010904.txt index 63f61c78f93..5c2970f020d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS010904 -RECORD_TITLE: ADP, Adenosine-5'-diphosphate Di(monocyclohexylammonium)salt; LC-ESI-QQ; MS2 +RECORD_TITLE: ADP, Adenosine-5'-diphosphate Di(monocyclohexylammonium)salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6022 CH$LINK: INCHIKEY XTWYTFMLZFPYCI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010905.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010905.txt index e6bcfe1d1bd..3319e292183 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010905.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS010905 -RECORD_TITLE: ADP, Adenosine-5'-diphosphate Di(monocyclohexylammonium)salt; LC-ESI-QQ; MS2 +RECORD_TITLE: ADP, Adenosine-5'-diphosphate Di(monocyclohexylammonium)salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6022 CH$LINK: INCHIKEY XTWYTFMLZFPYCI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010906.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010906.txt index 2d0e201fd1e..203a7900b7f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010906.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010906.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS010906 -RECORD_TITLE: ADP, Adenosine-5'-diphosphate Di(monocyclohexylammonium)salt; LC-ESI-QQ; MS2 +RECORD_TITLE: ADP, Adenosine-5'-diphosphate Di(monocyclohexylammonium)salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6022 CH$LINK: INCHIKEY XTWYTFMLZFPYCI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010907.txt index 2b998f39bee..2af3bb81ceb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS010907 -RECORD_TITLE: ADP, Adenosine-5'-diphosphate Di(monocyclohexylammonium)salt; LC-ESI-QQ; MS2 +RECORD_TITLE: ADP, Adenosine-5'-diphosphate Di(monocyclohexylammonium)salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6022 CH$LINK: INCHIKEY XTWYTFMLZFPYCI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010908.txt index ffa59897627..b50ca2a7cad 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS010908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS010908 -RECORD_TITLE: ADP, Adenosine-5'-diphosphate Di(monocyclohexylammonium)salt; LC-ESI-QQ; MS2 +RECORD_TITLE: ADP, Adenosine-5'-diphosphate Di(monocyclohexylammonium)salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6022 CH$LINK: INCHIKEY XTWYTFMLZFPYCI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011001.txt index 3968c701306..48caa8a09a5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011001 -RECORD_TITLE: AMP, Phosphaden, Adenosine-5'-monophosphate sodium salt, A-5'-P, Adenovite, 5'-Adenylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: AMP, Phosphaden, Adenosine-5'-monophosphate sodium salt, A-5'-P, Adenovite, 5'-Adenylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6083 CH$LINK: INCHIKEY UDMBCSSLTHHNCD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011002.txt index 570dc2e1ec6..91da98ac125 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011002 -RECORD_TITLE: AMP, Phosphaden, Adenosine-5'-monophosphate sodium salt, A-5'-P, Adenovite, 5'-Adenylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: AMP, Phosphaden, Adenosine-5'-monophosphate sodium salt, A-5'-P, Adenovite, 5'-Adenylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6083 CH$LINK: INCHIKEY UDMBCSSLTHHNCD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011003.txt index 108276a83b8..ef83e29ead7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011003 -RECORD_TITLE: AMP, Phosphaden, Adenosine-5'-monophosphate sodium salt, A-5'-P, Adenovite, 5'-Adenylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: AMP, Phosphaden, Adenosine-5'-monophosphate sodium salt, A-5'-P, Adenovite, 5'-Adenylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6083 CH$LINK: INCHIKEY UDMBCSSLTHHNCD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011004.txt index f4faae0a5fa..48592675f81 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011004 -RECORD_TITLE: AMP, Phosphaden, Adenosine-5'-monophosphate sodium salt, A-5'-P, Adenovite, 5'-Adenylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: AMP, Phosphaden, Adenosine-5'-monophosphate sodium salt, A-5'-P, Adenovite, 5'-Adenylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6083 CH$LINK: INCHIKEY UDMBCSSLTHHNCD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011005.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011005.txt index 104efe0b88b..8c77d6824ca 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011005.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011005 -RECORD_TITLE: AMP, Phosphaden, Adenosine-5'-monophosphate sodium salt, A-5'-P, Adenovite, 5'-Adenylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: AMP, Phosphaden, Adenosine-5'-monophosphate sodium salt, A-5'-P, Adenovite, 5'-Adenylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6083 CH$LINK: INCHIKEY UDMBCSSLTHHNCD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011006.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011006.txt index bc654c5f640..13f1466f7ed 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011006.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011006.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011006 -RECORD_TITLE: AMP, Phosphaden, Adenosine-5'-monophosphate sodium salt, A-5'-P, Adenovite, 5'-Adenylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: AMP, Phosphaden, Adenosine-5'-monophosphate sodium salt, A-5'-P, Adenovite, 5'-Adenylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6083 CH$LINK: INCHIKEY UDMBCSSLTHHNCD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011007.txt index 9f315473ac0..660ee1b72d2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011007 -RECORD_TITLE: AMP, Phosphaden, Adenosine-5'-monophosphate sodium salt, A-5'-P, Adenovite, 5'-Adenylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: AMP, Phosphaden, Adenosine-5'-monophosphate sodium salt, A-5'-P, Adenovite, 5'-Adenylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6083 CH$LINK: INCHIKEY UDMBCSSLTHHNCD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011008.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011008.txt index 54e84be5221..34205b8602f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011008.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011008 -RECORD_TITLE: AMP, Phosphaden, Adenosine-5'-monophosphate sodium salt, A-5'-P, Adenovite, 5'-Adenylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: AMP, Phosphaden, Adenosine-5'-monophosphate sodium salt, A-5'-P, Adenovite, 5'-Adenylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6083 CH$LINK: INCHIKEY UDMBCSSLTHHNCD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011009.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011009.txt index 2bea31ef958..88785abf590 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011009.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011009 -RECORD_TITLE: AMP, Phosphaden, Adenosine-5'-monophosphate sodium salt, A-5'-P, Adenovite, 5'-Adenylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: AMP, Phosphaden, Adenosine-5'-monophosphate sodium salt, A-5'-P, Adenovite, 5'-Adenylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6083 CH$LINK: INCHIKEY UDMBCSSLTHHNCD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011010.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011010.txt index 2b0559fb09e..da276a0525f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011010.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011010.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011010 -RECORD_TITLE: AMP, Phosphaden, Adenosine-5'-monophosphate sodium salt, A-5'-P, Adenovite, 5'-Adenylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: AMP, Phosphaden, Adenosine-5'-monophosphate sodium salt, A-5'-P, Adenovite, 5'-Adenylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6083 CH$LINK: INCHIKEY UDMBCSSLTHHNCD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011011.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011011.txt index e15c261bff1..c070f552d58 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011011.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011011.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011011 -RECORD_TITLE: AMP, Phosphaden, Adenosine-5'-monophosphate sodium salt, A-5'-P, Adenovite, 5'-Adenylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: AMP, Phosphaden, Adenosine-5'-monophosphate sodium salt, A-5'-P, Adenovite, 5'-Adenylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6083 CH$LINK: INCHIKEY UDMBCSSLTHHNCD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011107.txt index 6b87ecffdb6..df79f9459d7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011107 -RECORD_TITLE: 5'-Adenylyl sulfate, APS, Adenylyl sulfate, Adenosine-5'-phosphosulfate sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-Adenylyl sulfate, APS, Adenylyl sulfate, Adenosine-5'-phosphosulfate sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:10238 CH$LINK: INCHIKEY IRLPACMLTUPBCL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011108.txt index 5835a91295b..a479bcc3b58 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011108 -RECORD_TITLE: 5'-Adenylyl sulfate, APS, Adenylyl sulfate, Adenosine-5'-phosphosulfate sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-Adenylyl sulfate, APS, Adenylyl sulfate, Adenosine-5'-phosphosulfate sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:10238 CH$LINK: INCHIKEY IRLPACMLTUPBCL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011109.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011109.txt index 6e07631b1ae..6f30c479e3b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011109.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011109 -RECORD_TITLE: 5'-Adenylyl sulfate, APS, Adenylyl sulfate, Adenosine-5'-phosphosulfate sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-Adenylyl sulfate, APS, Adenylyl sulfate, Adenosine-5'-phosphosulfate sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:10238 CH$LINK: INCHIKEY IRLPACMLTUPBCL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011111.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011111.txt index 74c4ca843f9..678e2398aa9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011111.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011111.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011111 -RECORD_TITLE: 5'-Adenylyl sulfate, APS, Adenylyl sulfate, Adenosine-5'-phosphosulfate sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-Adenylyl sulfate, APS, Adenylyl sulfate, Adenosine-5'-phosphosulfate sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:10238 CH$LINK: INCHIKEY IRLPACMLTUPBCL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011301.txt index 974d5275402..2a7b7dc506d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011301 -RECORD_TITLE: Adenosine-3',5'-diphosphate Sodium salt, adenosine 3',5'-bisphosphate, 3'-Phosphoadenylate, PAP, 3'-Phosphoadenosine-5'-phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenosine-3',5'-diphosphate Sodium salt, adenosine 3',5'-bisphosphate, 3'-Phosphoadenylate, PAP, 3'-Phosphoadenosine-5'-phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:159296 CH$LINK: INCHIKEY WHTCPDAXWFLDIH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011302.txt index e596a61275d..78d517f0c3e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011302 -RECORD_TITLE: Adenosine-3',5'-diphosphate Sodium salt, adenosine 3',5'-bisphosphate, 3'-Phosphoadenylate, PAP, 3'-Phosphoadenosine-5'-phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenosine-3',5'-diphosphate Sodium salt, adenosine 3',5'-bisphosphate, 3'-Phosphoadenylate, PAP, 3'-Phosphoadenosine-5'-phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:159296 CH$LINK: INCHIKEY WHTCPDAXWFLDIH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011303.txt index 8861010ed97..883482cfdbe 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011303 -RECORD_TITLE: Adenosine-3',5'-diphosphate Sodium salt, adenosine 3',5'-bisphosphate, 3'-Phosphoadenylate, PAP, 3'-Phosphoadenosine-5'-phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenosine-3',5'-diphosphate Sodium salt, adenosine 3',5'-bisphosphate, 3'-Phosphoadenylate, PAP, 3'-Phosphoadenosine-5'-phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:159296 CH$LINK: INCHIKEY WHTCPDAXWFLDIH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011304.txt index 7218e8e4598..efdf26a5136 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011304 -RECORD_TITLE: Adenosine-3',5'-diphosphate Sodium salt, adenosine 3',5'-bisphosphate, 3'-Phosphoadenylate, PAP, 3'-Phosphoadenosine-5'-phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenosine-3',5'-diphosphate Sodium salt, adenosine 3',5'-bisphosphate, 3'-Phosphoadenylate, PAP, 3'-Phosphoadenosine-5'-phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:159296 CH$LINK: INCHIKEY WHTCPDAXWFLDIH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011305.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011305.txt index 581c5cfdae2..63d171c6e62 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011305.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011305 -RECORD_TITLE: Adenosine-3',5'-diphosphate Sodium salt, adenosine 3',5'-bisphosphate, 3'-Phosphoadenylate, PAP, 3'-Phosphoadenosine-5'-phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenosine-3',5'-diphosphate Sodium salt, adenosine 3',5'-bisphosphate, 3'-Phosphoadenylate, PAP, 3'-Phosphoadenosine-5'-phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:159296 CH$LINK: INCHIKEY WHTCPDAXWFLDIH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011306.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011306.txt index 5fcf0a1f13e..7d07ff0ac7a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011306.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011306.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011306 -RECORD_TITLE: Adenosine-3',5'-diphosphate Sodium salt, adenosine 3',5'-bisphosphate, 3'-Phosphoadenylate, PAP, 3'-Phosphoadenosine-5'-phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenosine-3',5'-diphosphate Sodium salt, adenosine 3',5'-bisphosphate, 3'-Phosphoadenylate, PAP, 3'-Phosphoadenosine-5'-phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:159296 CH$LINK: INCHIKEY WHTCPDAXWFLDIH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011307.txt index 78f45de190d..752680e53ac 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011307 -RECORD_TITLE: Adenosine-3',5'-diphosphate Sodium salt, adenosine 3',5'-bisphosphate, 3'-Phosphoadenylate, PAP, 3'-Phosphoadenosine-5'-phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenosine-3',5'-diphosphate Sodium salt, adenosine 3',5'-bisphosphate, 3'-Phosphoadenylate, PAP, 3'-Phosphoadenosine-5'-phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:159296 CH$LINK: INCHIKEY WHTCPDAXWFLDIH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011308.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011308.txt index 208136cd5c9..24721db5594 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011308.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011308.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011308 -RECORD_TITLE: Adenosine-3',5'-diphosphate Sodium salt, adenosine 3',5'-bisphosphate, 3'-Phosphoadenylate, PAP, 3'-Phosphoadenosine-5'-phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenosine-3',5'-diphosphate Sodium salt, adenosine 3',5'-bisphosphate, 3'-Phosphoadenylate, PAP, 3'-Phosphoadenosine-5'-phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:159296 CH$LINK: INCHIKEY WHTCPDAXWFLDIH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011310.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011310.txt index e559392c4d3..3902d3a3370 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011310.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011310.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011310 -RECORD_TITLE: Adenosine-3',5'-diphosphate Sodium salt, adenosine 3',5'-bisphosphate, 3'-Phosphoadenylate, PAP, 3'-Phosphoadenosine-5'-phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenosine-3',5'-diphosphate Sodium salt, adenosine 3',5'-bisphosphate, 3'-Phosphoadenylate, PAP, 3'-Phosphoadenosine-5'-phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:159296 CH$LINK: INCHIKEY WHTCPDAXWFLDIH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011311.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011311.txt index edb453937ae..128176c9498 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011311.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011311.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011311 -RECORD_TITLE: Adenosine-3',5'-diphosphate Sodium salt, adenosine 3',5'-bisphosphate, 3'-Phosphoadenylate, PAP, 3'-Phosphoadenosine-5'-phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenosine-3',5'-diphosphate Sodium salt, adenosine 3',5'-bisphosphate, 3'-Phosphoadenylate, PAP, 3'-Phosphoadenosine-5'-phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:159296 CH$LINK: INCHIKEY WHTCPDAXWFLDIH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011401.txt index 72b5e3d1cb7..f59c6e45a68 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011401 -RECORD_TITLE: N-(4-Aminobutyl)guanidine sulfate salt, 1-Amino-4-guanidinobutane sulfate salt, Agmatine sulfate salt, 4-Guanidinobutylamine sulfate salt; LC-ESI-QQ; MS2 +RECORD_TITLE: N-(4-Aminobutyl)guanidine sulfate salt, 1-Amino-4-guanidinobutane sulfate salt, Agmatine sulfate salt, 4-Guanidinobutylamine sulfate salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY QYPPJABKJHAVHS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0040961 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011402.txt index 5da79e2b60b..9be523bbca3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011402 -RECORD_TITLE: N-(4-Aminobutyl)guanidine sulfate salt, 1-Amino-4-guanidinobutane sulfate salt, Agmatine sulfate salt, 4-Guanidinobutylamine sulfate salt; LC-ESI-QQ; MS2 +RECORD_TITLE: N-(4-Aminobutyl)guanidine sulfate salt, 1-Amino-4-guanidinobutane sulfate salt, Agmatine sulfate salt, 4-Guanidinobutylamine sulfate salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY QYPPJABKJHAVHS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0040961 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011403.txt index 2d5272cd7da..ab237343ea5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011403 -RECORD_TITLE: N-(4-Aminobutyl)guanidine sulfate salt, 1-Amino-4-guanidinobutane sulfate salt, Agmatine sulfate salt, 4-Guanidinobutylamine sulfate salt; LC-ESI-QQ; MS2 +RECORD_TITLE: N-(4-Aminobutyl)guanidine sulfate salt, 1-Amino-4-guanidinobutane sulfate salt, Agmatine sulfate salt, 4-Guanidinobutylamine sulfate salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY QYPPJABKJHAVHS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0040961 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011603.txt index 49a44c4fb10..e5cacc7aa6f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011603 -RECORD_TITLE: CTP, Cytidine 5'-triphosphoric acid, Deoxycytosine triphosphate, Cytidine-5'-triphosphate disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: CTP, Cytidine 5'-triphosphoric acid, Deoxycytosine triphosphate, Cytidine-5'-triphosphate disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:6176 CH$LINK: INCHIKEY PCDQPRRSZKQHHS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011604.txt index af4dff39ccb..b0f731f0922 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011604 -RECORD_TITLE: CTP, Cytidine 5'-triphosphoric acid, Deoxycytosine triphosphate, Cytidine-5'-triphosphate disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: CTP, Cytidine 5'-triphosphoric acid, Deoxycytosine triphosphate, Cytidine-5'-triphosphate disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:6176 CH$LINK: INCHIKEY PCDQPRRSZKQHHS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011607.txt index d1ec82cd0a1..311ffcdda3a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011607 -RECORD_TITLE: CTP, Cytidine 5'-triphosphoric acid, Deoxycytosine triphosphate, Cytidine-5'-triphosphate disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: CTP, Cytidine 5'-triphosphoric acid, Deoxycytosine triphosphate, Cytidine-5'-triphosphate disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:6176 CH$LINK: INCHIKEY PCDQPRRSZKQHHS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011701.txt index 7fbd2c19cc9..165efbb7ef4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011701 -RECORD_TITLE: D(-)-3-Phosphoglyceric acid disodium salt, (-)-Disodium D-3-phosphoglycerate, 2-D-Hydroxy-3-phosphonooxy-propanoic acid, 3-phospho-D-glyceric acid, D-Glycerate-3-phosphate disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: D(-)-3-Phosphoglyceric acid disodium salt, (-)-Disodium D-3-phosphoglycerate, 2-D-Hydroxy-3-phosphonooxy-propanoic acid, 3-phospho-D-glyceric acid, D-Glycerate-3-phosphate disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439183 CH$LINK: INCHIKEY OSJPPGNTCRNQQC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011702.txt index 1c64f881727..e34617ac94a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011702 -RECORD_TITLE: D(-)-3-Phosphoglyceric acid disodium salt, (-)-Disodium D-3-phosphoglycerate, 2-D-Hydroxy-3-phosphonooxy-propanoic acid, 3-phospho-D-glyceric acid, D-Glycerate-3-phosphate disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: D(-)-3-Phosphoglyceric acid disodium salt, (-)-Disodium D-3-phosphoglycerate, 2-D-Hydroxy-3-phosphonooxy-propanoic acid, 3-phospho-D-glyceric acid, D-Glycerate-3-phosphate disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439183 CH$LINK: INCHIKEY OSJPPGNTCRNQQC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011703.txt index 14096a5e4d1..34c92cb493f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011703 -RECORD_TITLE: D(-)-3-Phosphoglyceric acid disodium salt, (-)-Disodium D-3-phosphoglycerate, 2-D-Hydroxy-3-phosphonooxy-propanoic acid, 3-phospho-D-glyceric acid, D-Glycerate-3-phosphate disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: D(-)-3-Phosphoglyceric acid disodium salt, (-)-Disodium D-3-phosphoglycerate, 2-D-Hydroxy-3-phosphonooxy-propanoic acid, 3-phospho-D-glyceric acid, D-Glycerate-3-phosphate disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439183 CH$LINK: INCHIKEY OSJPPGNTCRNQQC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011707.txt index e3d18067667..f69dde106c9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011707 -RECORD_TITLE: D(-)-3-Phosphoglyceric acid disodium salt, (-)-Disodium D-3-phosphoglycerate, 2-D-Hydroxy-3-phosphonooxy-propanoic acid, 3-phospho-D-glyceric acid, D-Glycerate-3-phosphate disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: D(-)-3-Phosphoglyceric acid disodium salt, (-)-Disodium D-3-phosphoglycerate, 2-D-Hydroxy-3-phosphonooxy-propanoic acid, 3-phospho-D-glyceric acid, D-Glycerate-3-phosphate disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439183 CH$LINK: INCHIKEY OSJPPGNTCRNQQC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011901.txt index 55ffd23b145..1016c026f5e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011901 -RECORD_TITLE: 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, D-Glucosamine-6-phosphate sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, D-Glucosamine-6-phosphate sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439217 CH$LINK: INCHIKEY XHMJOUIAFHJHBW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011902.txt index 62153879159..0cc2410d8ff 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011902 -RECORD_TITLE: 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, D-Glucosamine-6-phosphate sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, D-Glucosamine-6-phosphate sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439217 CH$LINK: INCHIKEY XHMJOUIAFHJHBW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011907.txt index ccb3a6ae5e5..e13132d316b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS011907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS011907 -RECORD_TITLE: 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, D-Glucosamine-6-phosphate sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, D-Glucosamine-6-phosphate sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439217 CH$LINK: INCHIKEY XHMJOUIAFHJHBW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012307.txt index 3af9e5e728d..f4c9e8dcb01 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012307 -RECORD_TITLE: all trans-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl pyrophosphate ammonium salt, Geranylgeranyl pyrophosphate ammonium salt, GGPP; LC-ESI-QQ; MS2 +RECORD_TITLE: all trans-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl pyrophosphate ammonium salt, Geranylgeranyl pyrophosphate ammonium salt, GGPP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:447277 CH$LINK: INCHIKEY OINNEUNVOZHBOX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012308.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012308.txt index 522116c0b8d..ffb02c4d319 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012308.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012308.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012308 -RECORD_TITLE: all trans-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl pyrophosphate ammonium salt, Geranylgeranyl pyrophosphate ammonium salt, GGPP; LC-ESI-QQ; MS2 +RECORD_TITLE: all trans-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl pyrophosphate ammonium salt, Geranylgeranyl pyrophosphate ammonium salt, GGPP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:447277 CH$LINK: INCHIKEY OINNEUNVOZHBOX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012309.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012309.txt index 59e604d7f0e..4d7574829a1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012309.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012309.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012309 -RECORD_TITLE: all trans-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl pyrophosphate ammonium salt, Geranylgeranyl pyrophosphate ammonium salt, GGPP; LC-ESI-QQ; MS2 +RECORD_TITLE: all trans-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl pyrophosphate ammonium salt, Geranylgeranyl pyrophosphate ammonium salt, GGPP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:447277 CH$LINK: INCHIKEY OINNEUNVOZHBOX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012310.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012310.txt index 3a74427c4e2..ed650f81afb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012310.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012310.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012310 -RECORD_TITLE: all trans-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl pyrophosphate ammonium salt, Geranylgeranyl pyrophosphate ammonium salt, GGPP; LC-ESI-QQ; MS2 +RECORD_TITLE: all trans-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl pyrophosphate ammonium salt, Geranylgeranyl pyrophosphate ammonium salt, GGPP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:447277 CH$LINK: INCHIKEY OINNEUNVOZHBOX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012311.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012311.txt index 0b4d5456b4b..fd6c69cf0b3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012311.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012311.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012311 -RECORD_TITLE: all trans-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl pyrophosphate ammonium salt, Geranylgeranyl pyrophosphate ammonium salt, GGPP; LC-ESI-QQ; MS2 +RECORD_TITLE: all trans-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl pyrophosphate ammonium salt, Geranylgeranyl pyrophosphate ammonium salt, GGPP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:447277 CH$LINK: INCHIKEY OINNEUNVOZHBOX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012312.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012312.txt index c83e0167c01..4827942afd3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012312.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012312.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012312 -RECORD_TITLE: all trans-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl pyrophosphate ammonium salt, Geranylgeranyl pyrophosphate ammonium salt, GGPP; LC-ESI-QQ; MS2 +RECORD_TITLE: all trans-3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenyl pyrophosphate ammonium salt, Geranylgeranyl pyrophosphate ammonium salt, GGPP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:447277 CH$LINK: INCHIKEY OINNEUNVOZHBOX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012403.txt index a8aa5d0299f..15d1173740f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012403 -RECORD_TITLE: GDP, Guanosine-5'-diphosphate sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: GDP, Guanosine-5'-diphosphate sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:8977 CH$LINK: INCHIKEY QGWNDRXFNXRZMB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012405.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012405.txt index 97f6427973e..7b5a9c529fd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012405.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012405 -RECORD_TITLE: GDP, Guanosine-5'-diphosphate sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: GDP, Guanosine-5'-diphosphate sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:8977 CH$LINK: INCHIKEY QGWNDRXFNXRZMB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012407.txt index 8994a9f7d34..e98fb82ccf5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012407 -RECORD_TITLE: GDP, Guanosine-5'-diphosphate sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: GDP, Guanosine-5'-diphosphate sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:8977 CH$LINK: INCHIKEY QGWNDRXFNXRZMB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012501.txt index b4d15209721..625ed2faae6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012501 -RECORD_TITLE: Harmaline hydrochloride dihydrate, 1-Methyl-7-methoxy-3,4-dihydro-beta-carboline hydrochloride, Harmidine, Harmalol methyl ether hydrochloride, Dihydroharmine; LC-ESI-QQ; MS2 +RECORD_TITLE: Harmaline hydrochloride dihydrate, 1-Methyl-7-methoxy-3,4-dihydro-beta-carboline hydrochloride, Harmidine, Harmalol methyl ether hydrochloride, Dihydroharmine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:3564 CH$LINK: INCHIKEY RERZNCLIYCABFS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001140; Organic compounds; Alkaloids and derivatives; Harmala alkaloids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012502.txt index c2fd927692b..619ee637229 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012502 -RECORD_TITLE: Harmaline hydrochloride dihydrate, 1-Methyl-7-methoxy-3,4-dihydro-beta-carboline hydrochloride, Harmidine, Harmalol methyl ether hydrochloride, Dihydroharmine; LC-ESI-QQ; MS2 +RECORD_TITLE: Harmaline hydrochloride dihydrate, 1-Methyl-7-methoxy-3,4-dihydro-beta-carboline hydrochloride, Harmidine, Harmalol methyl ether hydrochloride, Dihydroharmine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:3564 CH$LINK: INCHIKEY RERZNCLIYCABFS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001140; Organic compounds; Alkaloids and derivatives; Harmala alkaloids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012503.txt index 01f39b9fce5..6701f1061be 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012503 -RECORD_TITLE: Harmaline hydrochloride dihydrate, 1-Methyl-7-methoxy-3,4-dihydro-beta-carboline hydrochloride, Harmidine, Harmalol methyl ether hydrochloride, Dihydroharmine; LC-ESI-QQ; MS2 +RECORD_TITLE: Harmaline hydrochloride dihydrate, 1-Methyl-7-methoxy-3,4-dihydro-beta-carboline hydrochloride, Harmidine, Harmalol methyl ether hydrochloride, Dihydroharmine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:3564 CH$LINK: INCHIKEY RERZNCLIYCABFS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001140; Organic compounds; Alkaloids and derivatives; Harmala alkaloids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012504.txt index 2ee0348270e..991fbde9535 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012504 -RECORD_TITLE: Harmaline hydrochloride dihydrate, 1-Methyl-7-methoxy-3,4-dihydro-beta-carboline hydrochloride, Harmidine, Harmalol methyl ether hydrochloride, Dihydroharmine; LC-ESI-QQ; MS2 +RECORD_TITLE: Harmaline hydrochloride dihydrate, 1-Methyl-7-methoxy-3,4-dihydro-beta-carboline hydrochloride, Harmidine, Harmalol methyl ether hydrochloride, Dihydroharmine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:3564 CH$LINK: INCHIKEY RERZNCLIYCABFS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001140; Organic compounds; Alkaloids and derivatives; Harmala alkaloids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012601.txt index 4f4d957120e..9ebb8f5cc12 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012601 -RECORD_TITLE: Histamine, beta-Aminoethylglyoxaline, 2-Imidazol-4-ylethylamine, Ergamine, beta.-Imidazolyl-4-ethylamine, 1H-Imidazole-4-ethanamine, Eramin, Ergotidine, Theramine, Eramine, 2-(4-Imidazolyl)ethylamine; LC-ESI-QQ; MS2 +RECORD_TITLE: Histamine, beta-Aminoethylglyoxaline, 2-Imidazol-4-ylethylamine, Ergamine, beta.-Imidazolyl-4-ethylamine, 1H-Imidazole-4-ethanamine, Eramin, Ergotidine, Theramine, Eramine, 2-(4-Imidazolyl)ethylamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: INCHIKEY NTYJJOPFIAHURM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023125 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012602.txt index 2ab354dc7d0..ee97414a006 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012602 -RECORD_TITLE: Histamine, beta-Aminoethylglyoxaline, 2-Imidazol-4-ylethylamine, Ergamine, beta.-Imidazolyl-4-ethylamine, 1H-Imidazole-4-ethanamine, Eramin, Ergotidine, Theramine, Eramine, 2-(4-Imidazolyl)ethylamine; LC-ESI-QQ; MS2 +RECORD_TITLE: Histamine, beta-Aminoethylglyoxaline, 2-Imidazol-4-ylethylamine, Ergamine, beta.-Imidazolyl-4-ethylamine, 1H-Imidazole-4-ethanamine, Eramin, Ergotidine, Theramine, Eramine, 2-(4-Imidazolyl)ethylamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: INCHIKEY NTYJJOPFIAHURM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023125 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012603.txt index 3ba5cb5fa8e..c04af10885d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012603 -RECORD_TITLE: Histamine, beta-Aminoethylglyoxaline, 2-Imidazol-4-ylethylamine, Ergamine, beta.-Imidazolyl-4-ethylamine, 1H-Imidazole-4-ethanamine, Eramin, Ergotidine, Theramine, Eramine, 2-(4-Imidazolyl)ethylamine; LC-ESI-QQ; MS2 +RECORD_TITLE: Histamine, beta-Aminoethylglyoxaline, 2-Imidazol-4-ylethylamine, Ergamine, beta.-Imidazolyl-4-ethylamine, 1H-Imidazole-4-ethanamine, Eramin, Ergotidine, Theramine, Eramine, 2-(4-Imidazolyl)ethylamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: INCHIKEY NTYJJOPFIAHURM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4023125 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012701.txt index 0ca0f040f41..6d554cd283e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012701 -RECORD_TITLE: L-Carnosine, beta-Ala-His, L-Ignotine, beta-Alanyl-L-histidine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Carnosine, beta-Ala-His, L-Ignotine, beta-Alanyl-L-histidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439224 CH$LINK: INCHIKEY CQOVPNPJLQNMDC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012702.txt index c6573ec9dce..3a194896919 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012702 -RECORD_TITLE: L-Carnosine, beta-Ala-His, L-Ignotine, beta-Alanyl-L-histidine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Carnosine, beta-Ala-His, L-Ignotine, beta-Alanyl-L-histidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439224 CH$LINK: INCHIKEY CQOVPNPJLQNMDC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012703.txt index 36c891d5316..42cc67cb2c6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012703 -RECORD_TITLE: L-Carnosine, beta-Ala-His, L-Ignotine, beta-Alanyl-L-histidine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Carnosine, beta-Ala-His, L-Ignotine, beta-Alanyl-L-histidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439224 CH$LINK: INCHIKEY CQOVPNPJLQNMDC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012704.txt index b1c1e6aea62..08f44250fa1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012704 -RECORD_TITLE: L-Carnosine, beta-Ala-His, L-Ignotine, beta-Alanyl-L-histidine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Carnosine, beta-Ala-His, L-Ignotine, beta-Alanyl-L-histidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439224 CH$LINK: INCHIKEY CQOVPNPJLQNMDC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012705.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012705.txt index dce9ab1f06a..750629a2f98 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012705.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012705 -RECORD_TITLE: L-Carnosine, beta-Ala-His, L-Ignotine, beta-Alanyl-L-histidine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Carnosine, beta-Ala-His, L-Ignotine, beta-Alanyl-L-histidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439224 CH$LINK: INCHIKEY CQOVPNPJLQNMDC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012707.txt index a074219d81d..b66a7a215c7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012707 -RECORD_TITLE: L-Carnosine, beta-Ala-His, L-Ignotine, beta-Alanyl-L-histidine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Carnosine, beta-Ala-His, L-Ignotine, beta-Alanyl-L-histidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439224 CH$LINK: INCHIKEY CQOVPNPJLQNMDC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012801.txt index 28adbca0cd4..25358004d8b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012801 -RECORD_TITLE: Leupeptin hemisulfate salt, N-Acetyl-L-leucyl-L-leucyl-L-argininal hemisulfate salt, Acetyl-Leu-Leu-Arg-al; LC-ESI-QQ; MS2 +RECORD_TITLE: Leupeptin hemisulfate salt, N-Acetyl-L-leucyl-L-leucyl-L-argininal hemisulfate salt, Acetyl-Leu-Leu-Arg-al; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439527 CH$LINK: INCHIKEY GDBQQVLCIARPGH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012802.txt index f6354317697..31a397b694c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012802 -RECORD_TITLE: Leupeptin hemisulfate salt, N-Acetyl-L-leucyl-L-leucyl-L-argininal hemisulfate salt, Acetyl-Leu-Leu-Arg-al; LC-ESI-QQ; MS2 +RECORD_TITLE: Leupeptin hemisulfate salt, N-Acetyl-L-leucyl-L-leucyl-L-argininal hemisulfate salt, Acetyl-Leu-Leu-Arg-al; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439527 CH$LINK: INCHIKEY GDBQQVLCIARPGH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012803.txt index 7c7bdd3fd1c..9fa1b5ee239 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012803 -RECORD_TITLE: Leupeptin hemisulfate salt, N-Acetyl-L-leucyl-L-leucyl-L-argininal hemisulfate salt, Acetyl-Leu-Leu-Arg-al; LC-ESI-QQ; MS2 +RECORD_TITLE: Leupeptin hemisulfate salt, N-Acetyl-L-leucyl-L-leucyl-L-argininal hemisulfate salt, Acetyl-Leu-Leu-Arg-al; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439527 CH$LINK: INCHIKEY GDBQQVLCIARPGH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012804.txt index 536f2a9484f..5bbba0d78e0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012804 -RECORD_TITLE: Leupeptin hemisulfate salt, N-Acetyl-L-leucyl-L-leucyl-L-argininal hemisulfate salt, Acetyl-Leu-Leu-Arg-al; LC-ESI-QQ; MS2 +RECORD_TITLE: Leupeptin hemisulfate salt, N-Acetyl-L-leucyl-L-leucyl-L-argininal hemisulfate salt, Acetyl-Leu-Leu-Arg-al; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439527 CH$LINK: INCHIKEY GDBQQVLCIARPGH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012805.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012805.txt index 5e7fbc5b35f..912e3690500 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012805.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012805 -RECORD_TITLE: Leupeptin hemisulfate salt, N-Acetyl-L-leucyl-L-leucyl-L-argininal hemisulfate salt, Acetyl-Leu-Leu-Arg-al; LC-ESI-QQ; MS2 +RECORD_TITLE: Leupeptin hemisulfate salt, N-Acetyl-L-leucyl-L-leucyl-L-argininal hemisulfate salt, Acetyl-Leu-Leu-Arg-al; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439527 CH$LINK: INCHIKEY GDBQQVLCIARPGH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012806.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012806.txt index 27182f52ce4..89eb803ee55 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012806.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS012806.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS012806 -RECORD_TITLE: Leupeptin hemisulfate salt, N-Acetyl-L-leucyl-L-leucyl-L-argininal hemisulfate salt, Acetyl-Leu-Leu-Arg-al; LC-ESI-QQ; MS2 +RECORD_TITLE: Leupeptin hemisulfate salt, N-Acetyl-L-leucyl-L-leucyl-L-argininal hemisulfate salt, Acetyl-Leu-Leu-Arg-al; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439527 CH$LINK: INCHIKEY GDBQQVLCIARPGH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013201.txt index f21fc1b38bd..500775795a7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS013201 -RECORD_TITLE: Pterine, Pteridoxamine, 2-Amino-4-hydroxypteridine, 2-Amino-4-oxodihydropteridine; LC-ESI-QQ; MS2 +RECORD_TITLE: Pterine, Pteridoxamine, 2-Amino-4-hydroxypteridine, 2-Amino-4-oxodihydropteridine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: KEGG C00715 CH$LINK: PUBCHEM CID:135398660 CH$LINK: ChemOnt CHEMONTID:0000110; Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013202.txt index c13a1ec8848..8d288a12d36 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS013202 -RECORD_TITLE: Pterine, Pteridoxamine, 2-Amino-4-hydroxypteridine, 2-Amino-4-oxodihydropteridine; LC-ESI-QQ; MS2 +RECORD_TITLE: Pterine, Pteridoxamine, 2-Amino-4-hydroxypteridine, 2-Amino-4-oxodihydropteridine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: KEGG C00715 CH$LINK: PUBCHEM CID:135398660 CH$LINK: ChemOnt CHEMONTID:0000110; Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013207.txt index 451877617cb..b5b969a919e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS013207 -RECORD_TITLE: Pterine, Pteridoxamine, 2-Amino-4-hydroxypteridine, 2-Amino-4-oxodihydropteridine; LC-ESI-QQ; MS2 +RECORD_TITLE: Pterine, Pteridoxamine, 2-Amino-4-hydroxypteridine, 2-Amino-4-oxodihydropteridine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: KEGG C00715 CH$LINK: PUBCHEM CID:135398660 CH$LINK: ChemOnt CHEMONTID:0000110; Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013208.txt index 815f22ec50f..44bf5b58475 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS013208 -RECORD_TITLE: Pterine, Pteridoxamine, 2-Amino-4-hydroxypteridine, 2-Amino-4-oxodihydropteridine; LC-ESI-QQ; MS2 +RECORD_TITLE: Pterine, Pteridoxamine, 2-Amino-4-hydroxypteridine, 2-Amino-4-oxodihydropteridine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: KEGG C00715 CH$LINK: PUBCHEM CID:135398660 CH$LINK: ChemOnt CHEMONTID:0000110; Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013601.txt index 66dc457a6ee..9371a776e2e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS013601 -RECORD_TITLE: beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY SNICXCGAKADSCV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3048154 CH$LINK: ChemOnt CHEMONTID:0001975; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrrolidinylpyridines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013602.txt index 99568e4d17f..8868b058bd1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS013602 -RECORD_TITLE: beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY SNICXCGAKADSCV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3048154 CH$LINK: ChemOnt CHEMONTID:0001975; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrrolidinylpyridines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013603.txt index cbeebdc003c..838bf167325 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS013603 -RECORD_TITLE: beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY SNICXCGAKADSCV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3048154 CH$LINK: ChemOnt CHEMONTID:0001975; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrrolidinylpyridines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013604.txt index 83c3db5d0c1..aa42eebf1c6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS013604 -RECORD_TITLE: beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Pyridyl-alpha-N-methylpyrrolidine, (-)-Nicotine ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: INCHIKEY SNICXCGAKADSCV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3048154 CH$LINK: ChemOnt CHEMONTID:0001975; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyrrolidinylpyridines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013701.txt index 4237dc24966..f03f8df85a4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS013701 -RECORD_TITLE: D-Ala(P), D-(+)-1-Aminoethylphosphonic acid, (S)-(+)-1-Aminoethylphosphonic acid, alanine phosphonate; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Ala(P), D-(+)-1-Aminoethylphosphonic acid, (S)-(+)-1-Aminoethylphosphonic acid, alanine phosphonate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:181769 CH$LINK: INCHIKEY UIQSKEDQPSEGAU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013702.txt index b00f3fae1f2..96f5e47c158 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS013702 -RECORD_TITLE: D-Ala(P), D-(+)-1-Aminoethylphosphonic acid, (S)-(+)-1-Aminoethylphosphonic acid, alanine phosphonate; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Ala(P), D-(+)-1-Aminoethylphosphonic acid, (S)-(+)-1-Aminoethylphosphonic acid, alanine phosphonate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:181769 CH$LINK: INCHIKEY UIQSKEDQPSEGAU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013703.txt index 506d6fbaaad..799250c02e9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS013703 -RECORD_TITLE: D-Ala(P), D-(+)-1-Aminoethylphosphonic acid, (S)-(+)-1-Aminoethylphosphonic acid, alanine phosphonate; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Ala(P), D-(+)-1-Aminoethylphosphonic acid, (S)-(+)-1-Aminoethylphosphonic acid, alanine phosphonate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:181769 CH$LINK: INCHIKEY UIQSKEDQPSEGAU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013707.txt index b14bdf40e13..2d5ae56911c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS013707 -RECORD_TITLE: D-Ala(P), D-(+)-1-Aminoethylphosphonic acid, (S)-(+)-1-Aminoethylphosphonic acid, alanine phosphonate; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Ala(P), D-(+)-1-Aminoethylphosphonic acid, (S)-(+)-1-Aminoethylphosphonic acid, alanine phosphonate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:181769 CH$LINK: INCHIKEY UIQSKEDQPSEGAU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013801.txt index cffe2a8b192..b3e21e3df19 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS013801 -RECORD_TITLE: 1-Methyl-4-(beta-aminoethyl)imidazole dihydrochloride, 1-Methylhistamine dihydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Methyl-4-(beta-aminoethyl)imidazole dihydrochloride, 1-Methylhistamine dihydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY FHQDWPCFSJMNCT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30198207 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013802.txt index 2ebc2df3ada..4d5add4af72 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS013802 -RECORD_TITLE: 1-Methyl-4-(beta-aminoethyl)imidazole dihydrochloride, 1-Methylhistamine dihydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Methyl-4-(beta-aminoethyl)imidazole dihydrochloride, 1-Methylhistamine dihydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY FHQDWPCFSJMNCT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30198207 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013803.txt index 43b853b16e3..3e7fbd41f4a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS013803 -RECORD_TITLE: 1-Methyl-4-(beta-aminoethyl)imidazole dihydrochloride, 1-Methylhistamine dihydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Methyl-4-(beta-aminoethyl)imidazole dihydrochloride, 1-Methylhistamine dihydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: INCHIKEY FHQDWPCFSJMNCT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30198207 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013901.txt index f6cd4dcd23a..ef125a21ba4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS013901 -RECORD_TITLE: Phosphonoethylamine, Ciliatine, 2-AEP, 2-Aminoethylphosphonic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Phosphonoethylamine, Ciliatine, 2-AEP, 2-Aminoethylphosphonic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY QQVDJLLNRSOCEL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10174362 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013902.txt index 50ee122dd05..fac19546c8f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS013902 -RECORD_TITLE: Phosphonoethylamine, Ciliatine, 2-AEP, 2-Aminoethylphosphonic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Phosphonoethylamine, Ciliatine, 2-AEP, 2-Aminoethylphosphonic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY QQVDJLLNRSOCEL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10174362 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013907.txt index 2bcec0870d0..70080729413 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS013907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS013907 -RECORD_TITLE: Phosphonoethylamine, Ciliatine, 2-AEP, 2-Aminoethylphosphonic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Phosphonoethylamine, Ciliatine, 2-AEP, 2-Aminoethylphosphonic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: INCHIKEY QQVDJLLNRSOCEL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID10174362 CH$LINK: ChemOnt CHEMONTID:0001302; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Organic phosphonic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014001.txt index d221e4e29d3..7e9c3cba24d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014001 -RECORD_TITLE: Adenine deoxyriboside, 2'-Deoxy-A, 9-(2-Deoxy-beta-D-ribofuranosyl)adenine, 2'-Deoxyadenosine monohydrate, dA; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenine deoxyriboside, 2'-Deoxy-A, 9-(2-Deoxy-beta-D-ribofuranosyl)adenine, 2'-Deoxyadenosine monohydrate, dA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:13730 CH$LINK: INCHIKEY OLXZPDWKRNYJJZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014002.txt index de35f6fe550..bd7f8fda63b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014002 -RECORD_TITLE: Adenine deoxyriboside, 2'-Deoxy-A, 9-(2-Deoxy-beta-D-ribofuranosyl)adenine, 2'-Deoxyadenosine monohydrate, dA; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenine deoxyriboside, 2'-Deoxy-A, 9-(2-Deoxy-beta-D-ribofuranosyl)adenine, 2'-Deoxyadenosine monohydrate, dA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:13730 CH$LINK: INCHIKEY OLXZPDWKRNYJJZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014003.txt index 55fff2aa47f..249db5eb7d9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014003 -RECORD_TITLE: Adenine deoxyriboside, 2'-Deoxy-A, 9-(2-Deoxy-beta-D-ribofuranosyl)adenine, 2'-Deoxyadenosine monohydrate, dA; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenine deoxyriboside, 2'-Deoxy-A, 9-(2-Deoxy-beta-D-ribofuranosyl)adenine, 2'-Deoxyadenosine monohydrate, dA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:13730 CH$LINK: INCHIKEY OLXZPDWKRNYJJZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014004.txt index 5daf5aafaad..fdcd18203c3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014004 -RECORD_TITLE: Adenine deoxyriboside, 2'-Deoxy-A, 9-(2-Deoxy-beta-D-ribofuranosyl)adenine, 2'-Deoxyadenosine monohydrate, dA; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenine deoxyriboside, 2'-Deoxy-A, 9-(2-Deoxy-beta-D-ribofuranosyl)adenine, 2'-Deoxyadenosine monohydrate, dA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:13730 CH$LINK: INCHIKEY OLXZPDWKRNYJJZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014005.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014005.txt index f6612123339..813916edc26 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014005.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014005 -RECORD_TITLE: Adenine deoxyriboside, 2'-Deoxy-A, 9-(2-Deoxy-beta-D-ribofuranosyl)adenine, 2'-Deoxyadenosine monohydrate, dA; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenine deoxyriboside, 2'-Deoxy-A, 9-(2-Deoxy-beta-D-ribofuranosyl)adenine, 2'-Deoxyadenosine monohydrate, dA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:13730 CH$LINK: INCHIKEY OLXZPDWKRNYJJZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014006.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014006.txt index ec8477d30d4..ffdaa41293f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014006.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014006.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014006 -RECORD_TITLE: Adenine deoxyriboside, 2'-Deoxy-A, 9-(2-Deoxy-beta-D-ribofuranosyl)adenine, 2'-Deoxyadenosine monohydrate, dA; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenine deoxyriboside, 2'-Deoxy-A, 9-(2-Deoxy-beta-D-ribofuranosyl)adenine, 2'-Deoxyadenosine monohydrate, dA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:13730 CH$LINK: INCHIKEY OLXZPDWKRNYJJZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014101.txt index 4007ed8bff4..2410b6dc671 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014101 -RECORD_TITLE: 2'-Deoxyadenosine-5'-diphosphate sodium salt, 2'-Deoxy-ADP, dADP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxyadenosine-5'-diphosphate sodium salt, 2'-Deoxy-ADP, dADP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:188966 CH$LINK: INCHIKEY DAEAPNUQQAICNR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014201.txt index fdd865c9787..4c0b0b4ab2b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014201 -RECORD_TITLE: 2'-Deoxy-AMP, 2'-Deoxyadenylic acid, dAMP, 2'-Deoxyadenosine-5'-monophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxy-AMP, 2'-Deoxyadenylic acid, dAMP, 2'-Deoxyadenosine-5'-monophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:12599 CH$LINK: INCHIKEY KHWCHTKSEGGWEX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014202.txt index 6cd4fba9449..251bf4caaa7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014202 -RECORD_TITLE: 2'-Deoxy-AMP, 2'-Deoxyadenylic acid, dAMP, 2'-Deoxyadenosine-5'-monophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxy-AMP, 2'-Deoxyadenylic acid, dAMP, 2'-Deoxyadenosine-5'-monophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:12599 CH$LINK: INCHIKEY KHWCHTKSEGGWEX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014203.txt index f4ba3128a65..12d7dc36526 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014203 -RECORD_TITLE: 2'-Deoxy-AMP, 2'-Deoxyadenylic acid, dAMP, 2'-Deoxyadenosine-5'-monophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxy-AMP, 2'-Deoxyadenylic acid, dAMP, 2'-Deoxyadenosine-5'-monophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:12599 CH$LINK: INCHIKEY KHWCHTKSEGGWEX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014204.txt index 434f9307fa0..564d6dc3afc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014204 -RECORD_TITLE: 2'-Deoxy-AMP, 2'-Deoxyadenylic acid, dAMP, 2'-Deoxyadenosine-5'-monophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxy-AMP, 2'-Deoxyadenylic acid, dAMP, 2'-Deoxyadenosine-5'-monophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:12599 CH$LINK: INCHIKEY KHWCHTKSEGGWEX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014205.txt index 181167d118e..a5de0f7b65f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014205 -RECORD_TITLE: 2'-Deoxy-AMP, 2'-Deoxyadenylic acid, dAMP, 2'-Deoxyadenosine-5'-monophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxy-AMP, 2'-Deoxyadenylic acid, dAMP, 2'-Deoxyadenosine-5'-monophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:12599 CH$LINK: INCHIKEY KHWCHTKSEGGWEX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014206.txt index d6d9b8b4d87..b9edc047d7e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014206 -RECORD_TITLE: 2'-Deoxy-AMP, 2'-Deoxyadenylic acid, dAMP, 2'-Deoxyadenosine-5'-monophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxy-AMP, 2'-Deoxyadenylic acid, dAMP, 2'-Deoxyadenosine-5'-monophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:12599 CH$LINK: INCHIKEY KHWCHTKSEGGWEX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014207.txt index 8c2ebc34ab4..a13941a5750 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014207 -RECORD_TITLE: 2'-Deoxy-AMP, 2'-Deoxyadenylic acid, dAMP, 2'-Deoxyadenosine-5'-monophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxy-AMP, 2'-Deoxyadenylic acid, dAMP, 2'-Deoxyadenosine-5'-monophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:12599 CH$LINK: INCHIKEY KHWCHTKSEGGWEX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014208.txt index 8777aa29043..2626bc7c189 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014208 -RECORD_TITLE: 2'-Deoxy-AMP, 2'-Deoxyadenylic acid, dAMP, 2'-Deoxyadenosine-5'-monophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxy-AMP, 2'-Deoxyadenylic acid, dAMP, 2'-Deoxyadenosine-5'-monophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:12599 CH$LINK: INCHIKEY KHWCHTKSEGGWEX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014401.txt index 9012aa04ffe..343ed0c7aac 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014401 -RECORD_TITLE: 2'-Deoxycytidine, dC, dCYD, 2'-Deoxy-CYD, Cytosine deoxyriboside; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxycytidine, dC, dCYD, 2'-Deoxy-CYD, Cytosine deoxyriboside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:13711 CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014402.txt index 6bed7fe0b0e..cb77a156b38 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014402 -RECORD_TITLE: 2'-Deoxycytidine, dC, dCYD, 2'-Deoxy-CYD, Cytosine deoxyriboside; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxycytidine, dC, dCYD, 2'-Deoxy-CYD, Cytosine deoxyriboside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:13711 CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014403.txt index dde52af0fac..7d32842614b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014403 -RECORD_TITLE: 2'-Deoxycytidine, dC, dCYD, 2'-Deoxy-CYD, Cytosine deoxyriboside; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxycytidine, dC, dCYD, 2'-Deoxy-CYD, Cytosine deoxyriboside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:13711 CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014404.txt index fb42430d5b6..0b6bc5d29b1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014404 -RECORD_TITLE: 2'-Deoxycytidine, dC, dCYD, 2'-Deoxy-CYD, Cytosine deoxyriboside; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxycytidine, dC, dCYD, 2'-Deoxy-CYD, Cytosine deoxyriboside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:13711 CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014405.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014405.txt index 423b2c9a5ac..c63ece95f8e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014405.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014405 -RECORD_TITLE: 2'-Deoxycytidine, dC, dCYD, 2'-Deoxy-CYD, Cytosine deoxyriboside; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxycytidine, dC, dCYD, 2'-Deoxy-CYD, Cytosine deoxyriboside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:13711 CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014407.txt index ea86d5d0be6..94e653d1f8e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014407 -RECORD_TITLE: 2'-Deoxycytidine, dC, dCYD, 2'-Deoxy-CYD, Cytosine deoxyriboside; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxycytidine, dC, dCYD, 2'-Deoxy-CYD, Cytosine deoxyriboside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:13711 CH$LINK: INCHIKEY CKTSBUTUHBMZGZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014501.txt index 83d6f09ba36..9833318b6da 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014501 -RECORD_TITLE: 2'-Deoxycytidine-5'-diphosphate sodium salt, 2'-Deoxy-CDP, dCDP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxycytidine-5'-diphosphate sodium salt, 2'-Deoxy-CDP, dCDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:150855 CH$LINK: INCHIKEY FTDHDKPUHBLBTL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001804; Organic compounds; Organic oxygen compounds; Organic oxoanionic compounds; Organic pyrophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014502.txt index 0b59ef6eaa6..0e64e882075 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014502 -RECORD_TITLE: 2'-Deoxycytidine-5'-diphosphate sodium salt, 2'-Deoxy-CDP, dCDP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxycytidine-5'-diphosphate sodium salt, 2'-Deoxy-CDP, dCDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:150855 CH$LINK: INCHIKEY FTDHDKPUHBLBTL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001804; Organic compounds; Organic oxygen compounds; Organic oxoanionic compounds; Organic pyrophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014503.txt index eeac3d8eb5f..871b96c440e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014503 -RECORD_TITLE: 2'-Deoxycytidine-5'-diphosphate sodium salt, 2'-Deoxy-CDP, dCDP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxycytidine-5'-diphosphate sodium salt, 2'-Deoxy-CDP, dCDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:150855 CH$LINK: INCHIKEY FTDHDKPUHBLBTL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001804; Organic compounds; Organic oxygen compounds; Organic oxoanionic compounds; Organic pyrophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014504.txt index 4e2e835a08d..52e84f82c5a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014504 -RECORD_TITLE: 2'-Deoxycytidine-5'-diphosphate sodium salt, 2'-Deoxy-CDP, dCDP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxycytidine-5'-diphosphate sodium salt, 2'-Deoxy-CDP, dCDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:150855 CH$LINK: INCHIKEY FTDHDKPUHBLBTL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001804; Organic compounds; Organic oxygen compounds; Organic oxoanionic compounds; Organic pyrophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014505.txt index 824d468bee4..801d34fd13b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014505 -RECORD_TITLE: 2'-Deoxycytidine-5'-diphosphate sodium salt, 2'-Deoxy-CDP, dCDP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxycytidine-5'-diphosphate sodium salt, 2'-Deoxy-CDP, dCDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:150855 CH$LINK: INCHIKEY FTDHDKPUHBLBTL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001804; Organic compounds; Organic oxygen compounds; Organic oxoanionic compounds; Organic pyrophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014506.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014506.txt index e23473c9e5e..3c711e78f59 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014506.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014506 -RECORD_TITLE: 2'-Deoxycytidine-5'-diphosphate sodium salt, 2'-Deoxy-CDP, dCDP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxycytidine-5'-diphosphate sodium salt, 2'-Deoxy-CDP, dCDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:150855 CH$LINK: INCHIKEY FTDHDKPUHBLBTL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001804; Organic compounds; Organic oxygen compounds; Organic oxoanionic compounds; Organic pyrophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014507.txt index 2847d4b936e..0b83264e386 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014507 -RECORD_TITLE: 2'-Deoxycytidine-5'-diphosphate sodium salt, 2'-Deoxy-CDP, dCDP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxycytidine-5'-diphosphate sodium salt, 2'-Deoxy-CDP, dCDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:150855 CH$LINK: INCHIKEY FTDHDKPUHBLBTL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001804; Organic compounds; Organic oxygen compounds; Organic oxoanionic compounds; Organic pyrophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014508.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014508.txt index da67dc62fe1..4c5fca6b24d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014508.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014508 -RECORD_TITLE: 2'-Deoxycytidine-5'-diphosphate sodium salt, 2'-Deoxy-CDP, dCDP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxycytidine-5'-diphosphate sodium salt, 2'-Deoxy-CDP, dCDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:150855 CH$LINK: INCHIKEY FTDHDKPUHBLBTL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001804; Organic compounds; Organic oxygen compounds; Organic oxoanionic compounds; Organic pyrophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014511.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014511.txt index cb7bb47565a..9fe71a19fce 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014511.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014511.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014511 -RECORD_TITLE: 2'-Deoxycytidine-5'-diphosphate sodium salt, 2'-Deoxy-CDP, dCDP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxycytidine-5'-diphosphate sodium salt, 2'-Deoxy-CDP, dCDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:150855 CH$LINK: INCHIKEY FTDHDKPUHBLBTL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001804; Organic compounds; Organic oxygen compounds; Organic oxoanionic compounds; Organic pyrophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014601.txt index d23a621bb8c..874419a7110 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014601 -RECORD_TITLE: dG, 2'-Deoxy-G, 2'-Deoxyguanosine monohydrate , 9-(2-Deoxy-beta-D-ribofuranosyl)guanine, Guanine-2'-deoxyriboside; LC-ESI-QQ; MS2 +RECORD_TITLE: dG, 2'-Deoxy-G, 2'-Deoxyguanosine monohydrate , 9-(2-Deoxy-beta-D-ribofuranosyl)guanine, Guanine-2'-deoxyriboside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:187790 CH$LINK: INCHIKEY YKBGVTZYEHREMT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014602.txt index df6d32b7be0..37cc0ee1859 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014602 -RECORD_TITLE: dG, 2'-Deoxy-G, 2'-Deoxyguanosine monohydrate , 9-(2-Deoxy-beta-D-ribofuranosyl)guanine, Guanine-2'-deoxyriboside; LC-ESI-QQ; MS2 +RECORD_TITLE: dG, 2'-Deoxy-G, 2'-Deoxyguanosine monohydrate , 9-(2-Deoxy-beta-D-ribofuranosyl)guanine, Guanine-2'-deoxyriboside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:187790 CH$LINK: INCHIKEY YKBGVTZYEHREMT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014603.txt index adceeb380b7..e23235d39e2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014603 -RECORD_TITLE: dG, 2'-Deoxy-G, 2'-Deoxyguanosine monohydrate , 9-(2-Deoxy-beta-D-ribofuranosyl)guanine, Guanine-2'-deoxyriboside; LC-ESI-QQ; MS2 +RECORD_TITLE: dG, 2'-Deoxy-G, 2'-Deoxyguanosine monohydrate , 9-(2-Deoxy-beta-D-ribofuranosyl)guanine, Guanine-2'-deoxyriboside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:187790 CH$LINK: INCHIKEY YKBGVTZYEHREMT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014604.txt index bc209f4feea..834b4cbe144 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014604 -RECORD_TITLE: dG, 2'-Deoxy-G, 2'-Deoxyguanosine monohydrate , 9-(2-Deoxy-beta-D-ribofuranosyl)guanine, Guanine-2'-deoxyriboside; LC-ESI-QQ; MS2 +RECORD_TITLE: dG, 2'-Deoxy-G, 2'-Deoxyguanosine monohydrate , 9-(2-Deoxy-beta-D-ribofuranosyl)guanine, Guanine-2'-deoxyriboside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:187790 CH$LINK: INCHIKEY YKBGVTZYEHREMT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014605.txt index d885919b1aa..0849a323601 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014605 -RECORD_TITLE: dG, 2'-Deoxy-G, 2'-Deoxyguanosine monohydrate , 9-(2-Deoxy-beta-D-ribofuranosyl)guanine, Guanine-2'-deoxyriboside; LC-ESI-QQ; MS2 +RECORD_TITLE: dG, 2'-Deoxy-G, 2'-Deoxyguanosine monohydrate , 9-(2-Deoxy-beta-D-ribofuranosyl)guanine, Guanine-2'-deoxyriboside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:187790 CH$LINK: INCHIKEY YKBGVTZYEHREMT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014607.txt index 8cd1c7303db..0077d22a2e2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014607 -RECORD_TITLE: dG, 2'-Deoxy-G, 2'-Deoxyguanosine monohydrate , 9-(2-Deoxy-beta-D-ribofuranosyl)guanine, Guanine-2'-deoxyriboside; LC-ESI-QQ; MS2 +RECORD_TITLE: dG, 2'-Deoxy-G, 2'-Deoxyguanosine monohydrate , 9-(2-Deoxy-beta-D-ribofuranosyl)guanine, Guanine-2'-deoxyriboside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:187790 CH$LINK: INCHIKEY YKBGVTZYEHREMT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014608.txt index fd38a9e860a..c01fa1b9f50 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014608 -RECORD_TITLE: dG, 2'-Deoxy-G, 2'-Deoxyguanosine monohydrate , 9-(2-Deoxy-beta-D-ribofuranosyl)guanine, Guanine-2'-deoxyriboside; LC-ESI-QQ; MS2 +RECORD_TITLE: dG, 2'-Deoxy-G, 2'-Deoxyguanosine monohydrate , 9-(2-Deoxy-beta-D-ribofuranosyl)guanine, Guanine-2'-deoxyriboside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:187790 CH$LINK: INCHIKEY YKBGVTZYEHREMT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014609.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014609.txt index 84439d3e0ec..29cc08b9172 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014609.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014609.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014609 -RECORD_TITLE: dG, 2'-Deoxy-G, 2'-Deoxyguanosine monohydrate , 9-(2-Deoxy-beta-D-ribofuranosyl)guanine, Guanine-2'-deoxyriboside; LC-ESI-QQ; MS2 +RECORD_TITLE: dG, 2'-Deoxy-G, 2'-Deoxyguanosine monohydrate , 9-(2-Deoxy-beta-D-ribofuranosyl)guanine, Guanine-2'-deoxyriboside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:187790 CH$LINK: INCHIKEY YKBGVTZYEHREMT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014610.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014610.txt index 04afe14a642..9051ce47df9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014610.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014610.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014610 -RECORD_TITLE: dG, 2'-Deoxy-G, 2'-Deoxyguanosine monohydrate , 9-(2-Deoxy-beta-D-ribofuranosyl)guanine, Guanine-2'-deoxyriboside; LC-ESI-QQ; MS2 +RECORD_TITLE: dG, 2'-Deoxy-G, 2'-Deoxyguanosine monohydrate , 9-(2-Deoxy-beta-D-ribofuranosyl)guanine, Guanine-2'-deoxyriboside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:187790 CH$LINK: INCHIKEY YKBGVTZYEHREMT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014701.txt index b5ff63589fa..a9f856d584a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014701 -RECORD_TITLE: Hypoxantindeoxyriboside, 2'-Deoxyinosine, dI, 9-(2-Deoxy-beta-D-ribofuranosyl)hypoxanthine; LC-ESI-QQ; MS2 +RECORD_TITLE: Hypoxantindeoxyriboside, 2'-Deoxyinosine, dI, 9-(2-Deoxy-beta-D-ribofuranosyl)hypoxanthine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:65058 CH$LINK: INCHIKEY VGONTNSXDCQUGY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014702.txt index a3804313016..31277174ab2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014702 -RECORD_TITLE: Hypoxantindeoxyriboside, 2'-Deoxyinosine, dI, 9-(2-Deoxy-beta-D-ribofuranosyl)hypoxanthine; LC-ESI-QQ; MS2 +RECORD_TITLE: Hypoxantindeoxyriboside, 2'-Deoxyinosine, dI, 9-(2-Deoxy-beta-D-ribofuranosyl)hypoxanthine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:65058 CH$LINK: INCHIKEY VGONTNSXDCQUGY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014703.txt index c23cc9ae7e0..132a8b82ee5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014703 -RECORD_TITLE: Hypoxantindeoxyriboside, 2'-Deoxyinosine, dI, 9-(2-Deoxy-beta-D-ribofuranosyl)hypoxanthine; LC-ESI-QQ; MS2 +RECORD_TITLE: Hypoxantindeoxyriboside, 2'-Deoxyinosine, dI, 9-(2-Deoxy-beta-D-ribofuranosyl)hypoxanthine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:65058 CH$LINK: INCHIKEY VGONTNSXDCQUGY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014704.txt index a4ff8c4f376..53426c6af27 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014704 -RECORD_TITLE: Hypoxantindeoxyriboside, 2'-Deoxyinosine, dI, 9-(2-Deoxy-beta-D-ribofuranosyl)hypoxanthine; LC-ESI-QQ; MS2 +RECORD_TITLE: Hypoxantindeoxyriboside, 2'-Deoxyinosine, dI, 9-(2-Deoxy-beta-D-ribofuranosyl)hypoxanthine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:65058 CH$LINK: INCHIKEY VGONTNSXDCQUGY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014705.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014705.txt index 156a6fb5fee..784d1596ddb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014705.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014705 -RECORD_TITLE: Hypoxantindeoxyriboside, 2'-Deoxyinosine, dI, 9-(2-Deoxy-beta-D-ribofuranosyl)hypoxanthine; LC-ESI-QQ; MS2 +RECORD_TITLE: Hypoxantindeoxyriboside, 2'-Deoxyinosine, dI, 9-(2-Deoxy-beta-D-ribofuranosyl)hypoxanthine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:65058 CH$LINK: INCHIKEY VGONTNSXDCQUGY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014707.txt index e6be25d71ce..369e64881a7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014707 -RECORD_TITLE: Hypoxantindeoxyriboside, 2'-Deoxyinosine, dI, 9-(2-Deoxy-beta-D-ribofuranosyl)hypoxanthine; LC-ESI-QQ; MS2 +RECORD_TITLE: Hypoxantindeoxyriboside, 2'-Deoxyinosine, dI, 9-(2-Deoxy-beta-D-ribofuranosyl)hypoxanthine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:65058 CH$LINK: INCHIKEY VGONTNSXDCQUGY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014708.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014708.txt index 1047e0c8301..f72bc4d5219 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014708.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014708 -RECORD_TITLE: Hypoxantindeoxyriboside, 2'-Deoxyinosine, dI, 9-(2-Deoxy-beta-D-ribofuranosyl)hypoxanthine; LC-ESI-QQ; MS2 +RECORD_TITLE: Hypoxantindeoxyriboside, 2'-Deoxyinosine, dI, 9-(2-Deoxy-beta-D-ribofuranosyl)hypoxanthine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:65058 CH$LINK: INCHIKEY VGONTNSXDCQUGY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014709.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014709.txt index bf80605e3a6..1fb6485dcbb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014709.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014709.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014709 -RECORD_TITLE: Hypoxantindeoxyriboside, 2'-Deoxyinosine, dI, 9-(2-Deoxy-beta-D-ribofuranosyl)hypoxanthine; LC-ESI-QQ; MS2 +RECORD_TITLE: Hypoxantindeoxyriboside, 2'-Deoxyinosine, dI, 9-(2-Deoxy-beta-D-ribofuranosyl)hypoxanthine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:65058 CH$LINK: INCHIKEY VGONTNSXDCQUGY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014710.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014710.txt index 73b441d99e0..debde15f818 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014710.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014710.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014710 -RECORD_TITLE: Hypoxantindeoxyriboside, 2'-Deoxyinosine, dI, 9-(2-Deoxy-beta-D-ribofuranosyl)hypoxanthine; LC-ESI-QQ; MS2 +RECORD_TITLE: Hypoxantindeoxyriboside, 2'-Deoxyinosine, dI, 9-(2-Deoxy-beta-D-ribofuranosyl)hypoxanthine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:65058 CH$LINK: INCHIKEY VGONTNSXDCQUGY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014711.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014711.txt index 9427b72b504..e554c9724b8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014711.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014711.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014711 -RECORD_TITLE: Hypoxantindeoxyriboside, 2'-Deoxyinosine, dI, 9-(2-Deoxy-beta-D-ribofuranosyl)hypoxanthine; LC-ESI-QQ; MS2 +RECORD_TITLE: Hypoxantindeoxyriboside, 2'-Deoxyinosine, dI, 9-(2-Deoxy-beta-D-ribofuranosyl)hypoxanthine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:65058 CH$LINK: INCHIKEY VGONTNSXDCQUGY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002177; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides; Purine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014801.txt index a6226ef9eba..9832b89eeee 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014801 -RECORD_TITLE: 2'-Deoxyinosine-5'-monophosphate sodium salt, dIMP, 2'-Deoxy-IMP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxyinosine-5'-monophosphate sodium salt, dIMP, 2'-Deoxy-IMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:91531 CH$LINK: INCHIKEY PHNGFPPXDJJADG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014802.txt index 0bc68e338b3..8f53f13fcf5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014802 -RECORD_TITLE: 2'-Deoxyinosine-5'-monophosphate sodium salt, dIMP, 2'-Deoxy-IMP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxyinosine-5'-monophosphate sodium salt, dIMP, 2'-Deoxy-IMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:91531 CH$LINK: INCHIKEY PHNGFPPXDJJADG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014803.txt index ed1231281e0..533f744ed07 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014803 -RECORD_TITLE: 2'-Deoxyinosine-5'-monophosphate sodium salt, dIMP, 2'-Deoxy-IMP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxyinosine-5'-monophosphate sodium salt, dIMP, 2'-Deoxy-IMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:91531 CH$LINK: INCHIKEY PHNGFPPXDJJADG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014804.txt index 33a1de042d6..8b4e028d1c1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014804 -RECORD_TITLE: 2'-Deoxyinosine-5'-monophosphate sodium salt, dIMP, 2'-Deoxy-IMP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxyinosine-5'-monophosphate sodium salt, dIMP, 2'-Deoxy-IMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:91531 CH$LINK: INCHIKEY PHNGFPPXDJJADG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014805.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014805.txt index 70932c8fd3c..0621daf6198 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014805.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014805 -RECORD_TITLE: 2'-Deoxyinosine-5'-monophosphate sodium salt, dIMP, 2'-Deoxy-IMP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxyinosine-5'-monophosphate sodium salt, dIMP, 2'-Deoxy-IMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:91531 CH$LINK: INCHIKEY PHNGFPPXDJJADG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014806.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014806.txt index 8722b5fd647..792994768c7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014806.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014806.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014806 -RECORD_TITLE: 2'-Deoxyinosine-5'-monophosphate sodium salt, dIMP, 2'-Deoxy-IMP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxyinosine-5'-monophosphate sodium salt, dIMP, 2'-Deoxy-IMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:91531 CH$LINK: INCHIKEY PHNGFPPXDJJADG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014807.txt index 9473958f704..801011fc181 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014807 -RECORD_TITLE: 2'-Deoxyinosine-5'-monophosphate sodium salt, dIMP, 2'-Deoxy-IMP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxyinosine-5'-monophosphate sodium salt, dIMP, 2'-Deoxy-IMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:91531 CH$LINK: INCHIKEY PHNGFPPXDJJADG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014808.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014808.txt index 77686238c70..cf7f2543d06 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014808.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014808 -RECORD_TITLE: 2'-Deoxyinosine-5'-monophosphate sodium salt, dIMP, 2'-Deoxy-IMP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxyinosine-5'-monophosphate sodium salt, dIMP, 2'-Deoxy-IMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:91531 CH$LINK: INCHIKEY PHNGFPPXDJJADG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014810.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014810.txt index 8a924d7d3b3..aee80a4b1e1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014810.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014810.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014810 -RECORD_TITLE: 2'-Deoxyinosine-5'-monophosphate sodium salt, dIMP, 2'-Deoxy-IMP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxyinosine-5'-monophosphate sodium salt, dIMP, 2'-Deoxy-IMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:91531 CH$LINK: INCHIKEY PHNGFPPXDJJADG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014903.txt index 9110bf7afd9..40f3714dca7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014903 -RECORD_TITLE: dITP, 2'-Deoxy-ITP, 2'-Deoxyinosine-5'-triphosphate trisodium salt ; LC-ESI-QQ; MS2 +RECORD_TITLE: dITP, 2'-Deoxy-ITP, 2'-Deoxyinosine-5'-triphosphate trisodium salt ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:146302 CH$LINK: INCHIKEY UFJPAQSLHAGEBL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014904.txt index b1855c8dd4d..f1c639ae6cf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014904 -RECORD_TITLE: dITP, 2'-Deoxy-ITP, 2'-Deoxyinosine-5'-triphosphate trisodium salt ; LC-ESI-QQ; MS2 +RECORD_TITLE: dITP, 2'-Deoxy-ITP, 2'-Deoxyinosine-5'-triphosphate trisodium salt ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:146302 CH$LINK: INCHIKEY UFJPAQSLHAGEBL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014907.txt index ff06e0a6867..cdb8e60e6bb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014907 -RECORD_TITLE: dITP, 2'-Deoxy-ITP, 2'-Deoxyinosine-5'-triphosphate trisodium salt ; LC-ESI-QQ; MS2 +RECORD_TITLE: dITP, 2'-Deoxy-ITP, 2'-Deoxyinosine-5'-triphosphate trisodium salt ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:146302 CH$LINK: INCHIKEY UFJPAQSLHAGEBL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014908.txt index 8d8a4dc1a04..53e959b682a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014908 -RECORD_TITLE: dITP, 2'-Deoxy-ITP, 2'-Deoxyinosine-5'-triphosphate trisodium salt ; LC-ESI-QQ; MS2 +RECORD_TITLE: dITP, 2'-Deoxy-ITP, 2'-Deoxyinosine-5'-triphosphate trisodium salt ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:146302 CH$LINK: INCHIKEY UFJPAQSLHAGEBL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014909.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014909.txt index 43aaee44480..5c0c40eee48 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014909.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014909 -RECORD_TITLE: dITP, 2'-Deoxy-ITP, 2'-Deoxyinosine-5'-triphosphate trisodium salt ; LC-ESI-QQ; MS2 +RECORD_TITLE: dITP, 2'-Deoxy-ITP, 2'-Deoxyinosine-5'-triphosphate trisodium salt ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:146302 CH$LINK: INCHIKEY UFJPAQSLHAGEBL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014911.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014911.txt index 279eccbc6b0..3ccb8903b4e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014911.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS014911.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS014911 -RECORD_TITLE: dITP, 2'-Deoxy-ITP, 2'-Deoxyinosine-5'-triphosphate trisodium salt ; LC-ESI-QQ; MS2 +RECORD_TITLE: dITP, 2'-Deoxy-ITP, 2'-Deoxyinosine-5'-triphosphate trisodium salt ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:146302 CH$LINK: INCHIKEY UFJPAQSLHAGEBL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015101.txt index 35c99b7775f..e39d4c3b718 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015101 -RECORD_TITLE: dUMP, 2'-Deoxy-UMP, 2'-deoxyuridylic acid, 2'-Deoxyuridine-5'-monophosphate disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: dUMP, 2'-Deoxy-UMP, 2'-deoxyuridylic acid, 2'-Deoxyuridine-5'-monophosphate disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:65063 CH$LINK: INCHIKEY JSRLJPSBLDHEIO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015102.txt index 1e8e392f248..7ea4629bb8c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015102 -RECORD_TITLE: dUMP, 2'-Deoxy-UMP, 2'-deoxyuridylic acid, 2'-Deoxyuridine-5'-monophosphate disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: dUMP, 2'-Deoxy-UMP, 2'-deoxyuridylic acid, 2'-Deoxyuridine-5'-monophosphate disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:65063 CH$LINK: INCHIKEY JSRLJPSBLDHEIO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015103.txt index c54f0fdc93b..c00edcdfadf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015103 -RECORD_TITLE: dUMP, 2'-Deoxy-UMP, 2'-deoxyuridylic acid, 2'-Deoxyuridine-5'-monophosphate disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: dUMP, 2'-Deoxy-UMP, 2'-deoxyuridylic acid, 2'-Deoxyuridine-5'-monophosphate disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:65063 CH$LINK: INCHIKEY JSRLJPSBLDHEIO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015104.txt index 8dfec33c6c2..665a9d7558d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015104 -RECORD_TITLE: dUMP, 2'-Deoxy-UMP, 2'-deoxyuridylic acid, 2'-Deoxyuridine-5'-monophosphate disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: dUMP, 2'-Deoxy-UMP, 2'-deoxyuridylic acid, 2'-Deoxyuridine-5'-monophosphate disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:65063 CH$LINK: INCHIKEY JSRLJPSBLDHEIO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015105.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015105.txt index 5c6e2571fec..e573fe43fed 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015105.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015105 -RECORD_TITLE: dUMP, 2'-Deoxy-UMP, 2'-deoxyuridylic acid, 2'-Deoxyuridine-5'-monophosphate disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: dUMP, 2'-Deoxy-UMP, 2'-deoxyuridylic acid, 2'-Deoxyuridine-5'-monophosphate disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:65063 CH$LINK: INCHIKEY JSRLJPSBLDHEIO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015106.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015106.txt index ef2c9e5cd08..294cac1845f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015106.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015106 -RECORD_TITLE: dUMP, 2'-Deoxy-UMP, 2'-deoxyuridylic acid, 2'-Deoxyuridine-5'-monophosphate disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: dUMP, 2'-Deoxy-UMP, 2'-deoxyuridylic acid, 2'-Deoxyuridine-5'-monophosphate disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:65063 CH$LINK: INCHIKEY JSRLJPSBLDHEIO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015107.txt index 2e876d1e6d7..ac3fa9a655b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015107 -RECORD_TITLE: dUMP, 2'-Deoxy-UMP, 2'-deoxyuridylic acid, 2'-Deoxyuridine-5'-monophosphate disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: dUMP, 2'-Deoxy-UMP, 2'-deoxyuridylic acid, 2'-Deoxyuridine-5'-monophosphate disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:65063 CH$LINK: INCHIKEY JSRLJPSBLDHEIO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015108.txt index 60757108ee3..a7e27ea9774 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015108 -RECORD_TITLE: dUMP, 2'-Deoxy-UMP, 2'-deoxyuridylic acid, 2'-Deoxyuridine-5'-monophosphate disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: dUMP, 2'-Deoxy-UMP, 2'-deoxyuridylic acid, 2'-Deoxyuridine-5'-monophosphate disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:65063 CH$LINK: INCHIKEY JSRLJPSBLDHEIO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015109.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015109.txt index dae6c98ddf7..3c2eda9ca12 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015109.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015109 -RECORD_TITLE: dUMP, 2'-Deoxy-UMP, 2'-deoxyuridylic acid, 2'-Deoxyuridine-5'-monophosphate disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: dUMP, 2'-Deoxy-UMP, 2'-deoxyuridylic acid, 2'-Deoxyuridine-5'-monophosphate disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:65063 CH$LINK: INCHIKEY JSRLJPSBLDHEIO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015203.txt index f035e43d454..11c1d625ec2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015203 -RECORD_TITLE: 2'-Deoxyuridine-5'-triphosphate sodium salt, 2'-deoxy-UTP, dUTP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxyuridine-5'-triphosphate sodium salt, 2'-deoxy-UTP, dUTP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:65070 CH$LINK: INCHIKEY AHCYMLUZIRLXAA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015204.txt index 4787396503f..346a59d0cb2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015204 -RECORD_TITLE: 2'-Deoxyuridine-5'-triphosphate sodium salt, 2'-deoxy-UTP, dUTP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxyuridine-5'-triphosphate sodium salt, 2'-deoxy-UTP, dUTP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:65070 CH$LINK: INCHIKEY AHCYMLUZIRLXAA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015205.txt index 55e539307c0..1a4482b59ee 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015205 -RECORD_TITLE: 2'-Deoxyuridine-5'-triphosphate sodium salt, 2'-deoxy-UTP, dUTP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxyuridine-5'-triphosphate sodium salt, 2'-deoxy-UTP, dUTP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:65070 CH$LINK: INCHIKEY AHCYMLUZIRLXAA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015206.txt index 6d1cce1f624..d58b1616925 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015206 -RECORD_TITLE: 2'-Deoxyuridine-5'-triphosphate sodium salt, 2'-deoxy-UTP, dUTP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxyuridine-5'-triphosphate sodium salt, 2'-deoxy-UTP, dUTP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:65070 CH$LINK: INCHIKEY AHCYMLUZIRLXAA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015207.txt index a6dc4b536ce..55e47b8c4a7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015207 -RECORD_TITLE: 2'-Deoxyuridine-5'-triphosphate sodium salt, 2'-deoxy-UTP, dUTP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxyuridine-5'-triphosphate sodium salt, 2'-deoxy-UTP, dUTP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:65070 CH$LINK: INCHIKEY AHCYMLUZIRLXAA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015208.txt index 9c54e6a6aba..168138a0b08 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015208 -RECORD_TITLE: 2'-Deoxyuridine-5'-triphosphate sodium salt, 2'-deoxy-UTP, dUTP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxyuridine-5'-triphosphate sodium salt, 2'-deoxy-UTP, dUTP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:65070 CH$LINK: INCHIKEY AHCYMLUZIRLXAA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015210.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015210.txt index 5923640f6eb..bda723dcda8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015210.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015210.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015210 -RECORD_TITLE: 2'-Deoxyuridine-5'-triphosphate sodium salt, 2'-deoxy-UTP, dUTP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxyuridine-5'-triphosphate sodium salt, 2'-deoxy-UTP, dUTP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:65070 CH$LINK: INCHIKEY AHCYMLUZIRLXAA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015301.txt index 52047db67e3..63583cc5068 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015301 -RECORD_TITLE: 2-Deoxy-alpha-D-ribose-1-phosphate bis(cyclohexylammonium)salt, d-ribose-1P; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Deoxy-alpha-D-ribose-1-phosphate bis(cyclohexylammonium)salt, d-ribose-1P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439287 CH$LINK: INCHIKEY KBDKAJNTYKVSEK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015401.txt index 670e7ee7196..75b132111db 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015401 -RECORD_TITLE: Uromitexan, Sodium 2-mercaptoethanesulfonate, MESNA, HS-CoM, 2-Mercaptoethanesulfonic acid, Mitexan, 2-Mercaptoethansulfonate, Coenzyme M, Mesnex; LC-ESI-QQ; MS2 +RECORD_TITLE: Uromitexan, Sodium 2-mercaptoethanesulfonate, MESNA, HS-CoM, 2-Mercaptoethanesulfonic acid, Mitexan, 2-Mercaptoethansulfonate, Coenzyme M, Mesnex; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: INCHIKEY ZNEWHQLOPFWXOF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8023264 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015402.txt index e3c3cb54332..d6c2e957300 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015402 -RECORD_TITLE: Uromitexan, Sodium 2-mercaptoethanesulfonate, MESNA, HS-CoM, 2-Mercaptoethanesulfonic acid, Mitexan, 2-Mercaptoethansulfonate, Coenzyme M, Mesnex; LC-ESI-QQ; MS2 +RECORD_TITLE: Uromitexan, Sodium 2-mercaptoethanesulfonate, MESNA, HS-CoM, 2-Mercaptoethanesulfonic acid, Mitexan, 2-Mercaptoethansulfonate, Coenzyme M, Mesnex; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: INCHIKEY ZNEWHQLOPFWXOF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8023264 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015405.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015405.txt index 11e8edc23af..5e4e8558b23 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015405.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015405 -RECORD_TITLE: Uromitexan, Sodium 2-mercaptoethanesulfonate, MESNA, HS-CoM, 2-Mercaptoethanesulfonic acid, Mitexan, 2-Mercaptoethansulfonate, Coenzyme M, Mesnex; LC-ESI-QQ; MS2 +RECORD_TITLE: Uromitexan, Sodium 2-mercaptoethanesulfonate, MESNA, HS-CoM, 2-Mercaptoethanesulfonic acid, Mitexan, 2-Mercaptoethansulfonate, Coenzyme M, Mesnex; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: INCHIKEY ZNEWHQLOPFWXOF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8023264 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015407.txt index 99cdeb0644a..c723f98fafb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015407 -RECORD_TITLE: Uromitexan, Sodium 2-mercaptoethanesulfonate, MESNA, HS-CoM, 2-Mercaptoethanesulfonic acid, Mitexan, 2-Mercaptoethansulfonate, Coenzyme M, Mesnex; LC-ESI-QQ; MS2 +RECORD_TITLE: Uromitexan, Sodium 2-mercaptoethanesulfonate, MESNA, HS-CoM, 2-Mercaptoethanesulfonic acid, Mitexan, 2-Mercaptoethansulfonate, Coenzyme M, Mesnex; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: INCHIKEY ZNEWHQLOPFWXOF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8023264 CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015501.txt index df787c37eec..1f683ae3812 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015501 -RECORD_TITLE: L-DOPA, 3-(3,4-Dihydroxyphenyl)-L-alanine, L-3-Hydroxytyrosine, Levodopa, 3,4-Dihydroxy-L-phenylalanine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-DOPA, 3-(3,4-Dihydroxyphenyl)-L-alanine, L-3-Hydroxytyrosine, Levodopa, 3,4-Dihydroxy-L-phenylalanine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY WTDRDQBEARUVNC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020549 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015502.txt index 2e966540c00..189b2ab8bd1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015502 -RECORD_TITLE: L-DOPA, 3-(3,4-Dihydroxyphenyl)-L-alanine, L-3-Hydroxytyrosine, Levodopa, 3,4-Dihydroxy-L-phenylalanine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-DOPA, 3-(3,4-Dihydroxyphenyl)-L-alanine, L-3-Hydroxytyrosine, Levodopa, 3,4-Dihydroxy-L-phenylalanine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY WTDRDQBEARUVNC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020549 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015507.txt index 5649f793217..cffd3971a20 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015507 -RECORD_TITLE: L-DOPA, 3-(3,4-Dihydroxyphenyl)-L-alanine, L-3-Hydroxytyrosine, Levodopa, 3,4-Dihydroxy-L-phenylalanine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-DOPA, 3-(3,4-Dihydroxyphenyl)-L-alanine, L-3-Hydroxytyrosine, Levodopa, 3,4-Dihydroxy-L-phenylalanine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: INCHIKEY WTDRDQBEARUVNC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020549 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015601.txt index 6d28fc6d783..91a4fb7e301 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015601 -RECORD_TITLE: 4-Hydroxy-3,5-dimethoxy-cinnamic acid, SA, Sinapate, Sinapic acid, Sin, 3,5-dimethoxy-4-hydroxycinnamic acid, Sinapinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Hydroxy-3,5-dimethoxy-cinnamic acid, SA, Sinapate, Sinapic acid, Sin, 3,5-dimethoxy-4-hydroxycinnamic acid, Sinapinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:637775 CH$LINK: INCHIKEY PCMORTLOPMLEFB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015602.txt index 076cf689818..73301c6215b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015602 -RECORD_TITLE: 4-Hydroxy-3,5-dimethoxy-cinnamic acid, SA, Sinapate, Sinapic acid, Sin, 3,5-dimethoxy-4-hydroxycinnamic acid, Sinapinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Hydroxy-3,5-dimethoxy-cinnamic acid, SA, Sinapate, Sinapic acid, Sin, 3,5-dimethoxy-4-hydroxycinnamic acid, Sinapinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:637775 CH$LINK: INCHIKEY PCMORTLOPMLEFB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015701.txt index beb46aa4ac8..bdedde1e71f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015701 -RECORD_TITLE: Emisol, Amitrol, Cytrole, Herbizole, 3-AT, aminotriazole, 1,2,4-Triazol-3-amine, ATA, 3-Amino-1,2,4-triazole; LC-ESI-QQ; MS2 +RECORD_TITLE: Emisol, Amitrol, Cytrole, Herbizole, 3-AT, aminotriazole, 1,2,4-Triazol-3-amine, ATA, 3-Amino-1,2,4-triazole; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: INCHIKEY KLSJWNVTNUYHDU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020076 CH$LINK: ChemOnt CHEMONTID:0000099; Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015702.txt index 2965a7f4a73..88cf202f716 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015702 -RECORD_TITLE: Emisol, Amitrol, Cytrole, Herbizole, 3-AT, aminotriazole, 1,2,4-Triazol-3-amine, ATA, 3-Amino-1,2,4-triazole; LC-ESI-QQ; MS2 +RECORD_TITLE: Emisol, Amitrol, Cytrole, Herbizole, 3-AT, aminotriazole, 1,2,4-Triazol-3-amine, ATA, 3-Amino-1,2,4-triazole; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: INCHIKEY KLSJWNVTNUYHDU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020076 CH$LINK: ChemOnt CHEMONTID:0000099; Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015703.txt index e36e5e572bd..1e1b48d3837 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015703 -RECORD_TITLE: Emisol, Amitrol, Cytrole, Herbizole, 3-AT, aminotriazole, 1,2,4-Triazol-3-amine, ATA, 3-Amino-1,2,4-triazole; LC-ESI-QQ; MS2 +RECORD_TITLE: Emisol, Amitrol, Cytrole, Herbizole, 3-AT, aminotriazole, 1,2,4-Triazol-3-amine, ATA, 3-Amino-1,2,4-triazole; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: INCHIKEY KLSJWNVTNUYHDU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020076 CH$LINK: ChemOnt CHEMONTID:0000099; Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015704.txt index 2b677550710..f7f01c6cc8a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015704 -RECORD_TITLE: Emisol, Amitrol, Cytrole, Herbizole, 3-AT, aminotriazole, 1,2,4-Triazol-3-amine, ATA, 3-Amino-1,2,4-triazole; LC-ESI-QQ; MS2 +RECORD_TITLE: Emisol, Amitrol, Cytrole, Herbizole, 3-AT, aminotriazole, 1,2,4-Triazol-3-amine, ATA, 3-Amino-1,2,4-triazole; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: INCHIKEY KLSJWNVTNUYHDU-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020076 CH$LINK: ChemOnt CHEMONTID:0000099; Organic compounds; Organoheterocyclic compounds; Azoles; Triazoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015901.txt index a130fd1f680..4255ad4c1b9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015901 -RECORD_TITLE: dephospho CoA, 3'-Dephosphocoenzyme A; LC-ESI-QQ; MS2 +RECORD_TITLE: dephospho CoA, 3'-Dephosphocoenzyme A; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439335 CH$LINK: INCHIKEY KDTSHFARGAKYJN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015902.txt index 174af6b6bea..9093237dc9d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015902 -RECORD_TITLE: dephospho CoA, 3'-Dephosphocoenzyme A; LC-ESI-QQ; MS2 +RECORD_TITLE: dephospho CoA, 3'-Dephosphocoenzyme A; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439335 CH$LINK: INCHIKEY KDTSHFARGAKYJN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015903.txt index 0c68268c1e9..7ba4a7cdec8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015903 -RECORD_TITLE: dephospho CoA, 3'-Dephosphocoenzyme A; LC-ESI-QQ; MS2 +RECORD_TITLE: dephospho CoA, 3'-Dephosphocoenzyme A; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439335 CH$LINK: INCHIKEY KDTSHFARGAKYJN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015904.txt index 252d0023c85..3b2beaf7c49 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015904 -RECORD_TITLE: dephospho CoA, 3'-Dephosphocoenzyme A; LC-ESI-QQ; MS2 +RECORD_TITLE: dephospho CoA, 3'-Dephosphocoenzyme A; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439335 CH$LINK: INCHIKEY KDTSHFARGAKYJN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015905.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015905.txt index 6a50bec84fb..316611a042b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015905.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015905 -RECORD_TITLE: dephospho CoA, 3'-Dephosphocoenzyme A; LC-ESI-QQ; MS2 +RECORD_TITLE: dephospho CoA, 3'-Dephosphocoenzyme A; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439335 CH$LINK: INCHIKEY KDTSHFARGAKYJN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015906.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015906.txt index 2c849de3a56..0aaa917682c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015906.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015906.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015906 -RECORD_TITLE: dephospho CoA, 3'-Dephosphocoenzyme A; LC-ESI-QQ; MS2 +RECORD_TITLE: dephospho CoA, 3'-Dephosphocoenzyme A; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439335 CH$LINK: INCHIKEY KDTSHFARGAKYJN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015907.txt index 9d59d69daf3..d213c8ec592 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015907 -RECORD_TITLE: dephospho CoA, 3'-Dephosphocoenzyme A; LC-ESI-QQ; MS2 +RECORD_TITLE: dephospho CoA, 3'-Dephosphocoenzyme A; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439335 CH$LINK: INCHIKEY KDTSHFARGAKYJN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015908.txt index 2738695276c..07167def2bf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015908 -RECORD_TITLE: dephospho CoA, 3'-Dephosphocoenzyme A; LC-ESI-QQ; MS2 +RECORD_TITLE: dephospho CoA, 3'-Dephosphocoenzyme A; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439335 CH$LINK: INCHIKEY KDTSHFARGAKYJN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015909.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015909.txt index 14c4a397206..511822289f4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015909.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015909 -RECORD_TITLE: dephospho CoA, 3'-Dephosphocoenzyme A; LC-ESI-QQ; MS2 +RECORD_TITLE: dephospho CoA, 3'-Dephosphocoenzyme A; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439335 CH$LINK: INCHIKEY KDTSHFARGAKYJN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015910.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015910.txt index 86c07c30efe..c73a28e4b55 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015910.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS015910.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS015910 -RECORD_TITLE: dephospho CoA, 3'-Dephosphocoenzyme A; LC-ESI-QQ; MS2 +RECORD_TITLE: dephospho CoA, 3'-Dephosphocoenzyme A; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439335 CH$LINK: INCHIKEY KDTSHFARGAKYJN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016001.txt index fc15e5b3c32..e5e35bbea42 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016001 -RECORD_TITLE: 3-(3-hydroxyanthraniloyl)alanine, DL-3-Hydroxykynurenine, alpha,2-Diamino-3-hydroxy-gamma-oxobenzenebutanoic acid, 3-Hydroxy-DL-kynurenine; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-(3-hydroxyanthraniloyl)alanine, DL-3-Hydroxykynurenine, alpha,2-Diamino-3-hydroxy-gamma-oxobenzenebutanoic acid, 3-Hydroxy-DL-kynurenine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:89 CH$LINK: INCHIKEY VCKPUUFAIGNJHC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016102.txt index b1c0f86f7c6..1fd089ad466 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016102 -RECORD_TITLE: Acetoacetyl coenzyme A sodium salt hydrate , Acetoacetyl-CoANa3; LC-ESI-QQ; MS2 +RECORD_TITLE: Acetoacetyl coenzyme A sodium salt hydrate , Acetoacetyl-CoANa3; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439214 CH$LINK: INCHIKEY OJFDKHTZOUZBOS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016201.txt index 4373c89e8be..dec1e5672ab 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016201 -RECORD_TITLE: Acetyl CoA, Acetyl coenzyme A (C2:0); LC-ESI-QQ; MS2 +RECORD_TITLE: Acetyl CoA, Acetyl coenzyme A (C2:0); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6302 CH$LINK: INCHIKEY ZSLZBFCDCINBPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016202.txt index 7040d59a096..8168a1a9880 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016202 -RECORD_TITLE: Acetyl CoA, Acetyl coenzyme A (C2:0); LC-ESI-QQ; MS2 +RECORD_TITLE: Acetyl CoA, Acetyl coenzyme A (C2:0); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6302 CH$LINK: INCHIKEY ZSLZBFCDCINBPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016203.txt index d4d8b2b1692..5e4a14dc12f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016203 -RECORD_TITLE: Acetyl CoA, Acetyl coenzyme A (C2:0); LC-ESI-QQ; MS2 +RECORD_TITLE: Acetyl CoA, Acetyl coenzyme A (C2:0); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6302 CH$LINK: INCHIKEY ZSLZBFCDCINBPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016204.txt index ea864d9e22c..6319d365aa2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016204 -RECORD_TITLE: Acetyl CoA, Acetyl coenzyme A (C2:0); LC-ESI-QQ; MS2 +RECORD_TITLE: Acetyl CoA, Acetyl coenzyme A (C2:0); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6302 CH$LINK: INCHIKEY ZSLZBFCDCINBPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016205.txt index 5a96937ccc0..975c4b89e14 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016205 -RECORD_TITLE: Acetyl CoA, Acetyl coenzyme A (C2:0); LC-ESI-QQ; MS2 +RECORD_TITLE: Acetyl CoA, Acetyl coenzyme A (C2:0); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6302 CH$LINK: INCHIKEY ZSLZBFCDCINBPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016206.txt index 519724a4d20..8d7f973e4c5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016206 -RECORD_TITLE: Acetyl CoA, Acetyl coenzyme A (C2:0); LC-ESI-QQ; MS2 +RECORD_TITLE: Acetyl CoA, Acetyl coenzyme A (C2:0); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6302 CH$LINK: INCHIKEY ZSLZBFCDCINBPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016207.txt index 3c8eaffd52a..9284b712d4b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016207 -RECORD_TITLE: Acetyl CoA, Acetyl coenzyme A (C2:0); LC-ESI-QQ; MS2 +RECORD_TITLE: Acetyl CoA, Acetyl coenzyme A (C2:0); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6302 CH$LINK: INCHIKEY ZSLZBFCDCINBPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016208.txt index 45ac796985a..b4939096059 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016208 -RECORD_TITLE: Acetyl CoA, Acetyl coenzyme A (C2:0); LC-ESI-QQ; MS2 +RECORD_TITLE: Acetyl CoA, Acetyl coenzyme A (C2:0); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6302 CH$LINK: INCHIKEY ZSLZBFCDCINBPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016209.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016209.txt index 836c84c8123..70c9e537b8a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016209.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016209 -RECORD_TITLE: Acetyl CoA, Acetyl coenzyme A (C2:0); LC-ESI-QQ; MS2 +RECORD_TITLE: Acetyl CoA, Acetyl coenzyme A (C2:0); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6302 CH$LINK: INCHIKEY ZSLZBFCDCINBPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016210.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016210.txt index 1b00f1c7351..b8f0c633b36 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016210.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016210.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016210 -RECORD_TITLE: Acetyl CoA, Acetyl coenzyme A (C2:0); LC-ESI-QQ; MS2 +RECORD_TITLE: Acetyl CoA, Acetyl coenzyme A (C2:0); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6302 CH$LINK: INCHIKEY ZSLZBFCDCINBPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016501.txt index 2741acf665e..75c46e763e5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016501 -RECORD_TITLE: Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6076 CH$LINK: INCHIKEY IVOMOUWHDPKRLL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001491; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016502.txt index f77680867bf..4ba791381b7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016502 -RECORD_TITLE: Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6076 CH$LINK: INCHIKEY IVOMOUWHDPKRLL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001491; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016503.txt index e774d53c3a1..879ecc4f3b2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016503 -RECORD_TITLE: Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6076 CH$LINK: INCHIKEY IVOMOUWHDPKRLL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001491; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016504.txt index 6e6ffe376dc..851cb995a3f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016504 -RECORD_TITLE: Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6076 CH$LINK: INCHIKEY IVOMOUWHDPKRLL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001491; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016505.txt index 5780a067e43..fe73c7af5fb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016505 -RECORD_TITLE: Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6076 CH$LINK: INCHIKEY IVOMOUWHDPKRLL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001491; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016506.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016506.txt index 1bddb01c189..d6af9af2f06 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016506.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016506 -RECORD_TITLE: Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6076 CH$LINK: INCHIKEY IVOMOUWHDPKRLL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001491; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016507.txt index af2874b79b1..803b04456c6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016507 -RECORD_TITLE: Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6076 CH$LINK: INCHIKEY IVOMOUWHDPKRLL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001491; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016508.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016508.txt index 92de19d05f5..4f773065a2e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016508.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016508 -RECORD_TITLE: Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6076 CH$LINK: INCHIKEY IVOMOUWHDPKRLL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001491; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016509.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016509.txt index e435130fd76..773b7cc030e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016509.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016509.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016509 -RECORD_TITLE: Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6076 CH$LINK: INCHIKEY IVOMOUWHDPKRLL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001491; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016510.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016510.txt index a6fb203632f..e02fb6478c0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016510.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016510.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016510 -RECORD_TITLE: Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6076 CH$LINK: INCHIKEY IVOMOUWHDPKRLL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001491; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016511.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016511.txt index 35feee809d5..9835b2d9012 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016511.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016511.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016511 -RECORD_TITLE: Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6076 CH$LINK: INCHIKEY IVOMOUWHDPKRLL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001491; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016512.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016512.txt index 5896dee4710..6f2099bd244 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016512.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016512.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016512 -RECORD_TITLE: Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: Cyclic AMP, Cyclic-3',5'-adenylic acid, Adenosine 3',5'-cyclophosphate, cAMP, Adenosine-3',5'-cyclicmonophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6076 CH$LINK: INCHIKEY IVOMOUWHDPKRLL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001491; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016601.txt index b2b388aead7..a5f45ab4dcb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016601 -RECORD_TITLE: ADP-glc, Adenosine-5'-diphospho-glucose disodium salt, ADP-Glucose, ADPG; LC-ESI-QQ; MS2 +RECORD_TITLE: ADP-glc, Adenosine-5'-diphospho-glucose disodium salt, ADP-Glucose, ADPG; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:16500 CH$LINK: INCHIKEY WFPZSXYXPSUOPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016602.txt index 42852ea3c55..5da9c1f9930 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016602 -RECORD_TITLE: ADP-glc, Adenosine-5'-diphospho-glucose disodium salt, ADP-Glucose, ADPG; LC-ESI-QQ; MS2 +RECORD_TITLE: ADP-glc, Adenosine-5'-diphospho-glucose disodium salt, ADP-Glucose, ADPG; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:16500 CH$LINK: INCHIKEY WFPZSXYXPSUOPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016603.txt index fb5a3feab9e..ea588ce5211 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016603 -RECORD_TITLE: ADP-glc, Adenosine-5'-diphospho-glucose disodium salt, ADP-Glucose, ADPG; LC-ESI-QQ; MS2 +RECORD_TITLE: ADP-glc, Adenosine-5'-diphospho-glucose disodium salt, ADP-Glucose, ADPG; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:16500 CH$LINK: INCHIKEY WFPZSXYXPSUOPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016604.txt index bf7745c7345..95281a1d62d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016604 -RECORD_TITLE: ADP-glc, Adenosine-5'-diphospho-glucose disodium salt, ADP-Glucose, ADPG; LC-ESI-QQ; MS2 +RECORD_TITLE: ADP-glc, Adenosine-5'-diphospho-glucose disodium salt, ADP-Glucose, ADPG; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:16500 CH$LINK: INCHIKEY WFPZSXYXPSUOPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016605.txt index 040f4ee096f..2f452ee3471 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016605 -RECORD_TITLE: ADP-glc, Adenosine-5'-diphospho-glucose disodium salt, ADP-Glucose, ADPG; LC-ESI-QQ; MS2 +RECORD_TITLE: ADP-glc, Adenosine-5'-diphospho-glucose disodium salt, ADP-Glucose, ADPG; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:16500 CH$LINK: INCHIKEY WFPZSXYXPSUOPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016606.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016606.txt index 1cdb128a23b..409e2b3530b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016606.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016606.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016606 -RECORD_TITLE: ADP-glc, Adenosine-5'-diphospho-glucose disodium salt, ADP-Glucose, ADPG; LC-ESI-QQ; MS2 +RECORD_TITLE: ADP-glc, Adenosine-5'-diphospho-glucose disodium salt, ADP-Glucose, ADPG; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:16500 CH$LINK: INCHIKEY WFPZSXYXPSUOPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016607.txt index 128473e697c..cea31874d6d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016607 -RECORD_TITLE: ADP-glc, Adenosine-5'-diphospho-glucose disodium salt, ADP-Glucose, ADPG; LC-ESI-QQ; MS2 +RECORD_TITLE: ADP-glc, Adenosine-5'-diphospho-glucose disodium salt, ADP-Glucose, ADPG; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:16500 CH$LINK: INCHIKEY WFPZSXYXPSUOPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016608.txt index 0f5e03a365c..8fb19ce0ea8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016608 -RECORD_TITLE: ADP-glc, Adenosine-5'-diphospho-glucose disodium salt, ADP-Glucose, ADPG; LC-ESI-QQ; MS2 +RECORD_TITLE: ADP-glc, Adenosine-5'-diphospho-glucose disodium salt, ADP-Glucose, ADPG; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:16500 CH$LINK: INCHIKEY WFPZSXYXPSUOPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016609.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016609.txt index 76398534b36..1f8182946e1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016609.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016609.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016609 -RECORD_TITLE: ADP-glc, Adenosine-5'-diphospho-glucose disodium salt, ADP-Glucose, ADPG; LC-ESI-QQ; MS2 +RECORD_TITLE: ADP-glc, Adenosine-5'-diphospho-glucose disodium salt, ADP-Glucose, ADPG; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:16500 CH$LINK: INCHIKEY WFPZSXYXPSUOPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016610.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016610.txt index 683b41daf17..d28b6b508e7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016610.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016610.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016610 -RECORD_TITLE: ADP-glc, Adenosine-5'-diphospho-glucose disodium salt, ADP-Glucose, ADPG; LC-ESI-QQ; MS2 +RECORD_TITLE: ADP-glc, Adenosine-5'-diphospho-glucose disodium salt, ADP-Glucose, ADPG; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:16500 CH$LINK: INCHIKEY WFPZSXYXPSUOPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016612.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016612.txt index fa9e93dd52c..505831128c1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016612.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016612.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016612 -RECORD_TITLE: ADP-glc, Adenosine-5'-diphospho-glucose disodium salt, ADP-Glucose, ADPG; LC-ESI-QQ; MS2 +RECORD_TITLE: ADP-glc, Adenosine-5'-diphospho-glucose disodium salt, ADP-Glucose, ADPG; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:16500 CH$LINK: INCHIKEY WFPZSXYXPSUOPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016807.txt index 72b5be0e26f..ff4317fdb86 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016807 -RECORD_TITLE: Adonite, Ribitol, Pentitol, 1,2,3,4,5-Pentanepentol, Adonitol, Ribit; LC-ESI-QQ; MS2 +RECORD_TITLE: Adonite, Ribitol, Pentitol, 1,2,3,4,5-Pentanepentol, Adonitol, Ribit; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:827 CH$LINK: INCHIKEY HEBKCHPVOIAQTA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016901.txt index 3a22030546a..6c2709794eb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016901 -RECORD_TITLE: Allantoin, Alantan, Sebical, cordanine, 5-Ureidohydantoin, (2,5-Dioxo-4-imidazolidinyl)urea, Hemocane, Cordianine, Glyoxylidiureide, Glyoxylic Acid Diureide, Allantol; LC-ESI-QQ; MS2 +RECORD_TITLE: Allantoin, Alantan, Sebical, cordanine, 5-Ureidohydantoin, (2,5-Dioxo-4-imidazolidinyl)urea, Hemocane, Cordianine, Glyoxylidiureide, Glyoxylic Acid Diureide, Allantol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:204 CH$LINK: INCHIKEY POJWUDADGALRAB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016902.txt index b00fa6f251b..f8dbac49728 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016902 -RECORD_TITLE: Allantoin, Alantan, Sebical, cordanine, 5-Ureidohydantoin, (2,5-Dioxo-4-imidazolidinyl)urea, Hemocane, Cordianine, Glyoxylidiureide, Glyoxylic Acid Diureide, Allantol; LC-ESI-QQ; MS2 +RECORD_TITLE: Allantoin, Alantan, Sebical, cordanine, 5-Ureidohydantoin, (2,5-Dioxo-4-imidazolidinyl)urea, Hemocane, Cordianine, Glyoxylidiureide, Glyoxylic Acid Diureide, Allantol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:204 CH$LINK: INCHIKEY POJWUDADGALRAB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016907.txt index fc81e0a0870..d36aa9c0cae 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS016907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS016907 -RECORD_TITLE: Allantoin, Alantan, Sebical, cordanine, 5-Ureidohydantoin, (2,5-Dioxo-4-imidazolidinyl)urea, Hemocane, Cordianine, Glyoxylidiureide, Glyoxylic Acid Diureide, Allantol; LC-ESI-QQ; MS2 +RECORD_TITLE: Allantoin, Alantan, Sebical, cordanine, 5-Ureidohydantoin, (2,5-Dioxo-4-imidazolidinyl)urea, Hemocane, Cordianine, Glyoxylidiureide, Glyoxylic Acid Diureide, Allantol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:204 CH$LINK: INCHIKEY POJWUDADGALRAB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017001.txt index dbc27a09b60..e00ae2d7638 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017001 -RECORD_TITLE: 1-Adamantylamine hydrochloride, Tricyclodecane Hydrochloride, Virasol, Amantadine hydrochloride, Amazolon, 1-Aminoadamantane hydrochloride, Symmetrel, Mantadine, Midantan, Mantadix, Virofral, 1-Adamantanamine hydrochloride, Symadine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Adamantylamine hydrochloride, Tricyclodecane Hydrochloride, Virasol, Amantadine hydrochloride, Amazolon, 1-Aminoadamantane hydrochloride, Symmetrel, Mantadine, Midantan, Mantadix, Virofral, 1-Adamantanamine hydrochloride, Symadine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -36,7 +36,7 @@ CH$LINK: PUBCHEM CID:2130 CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017002.txt index 3169e046ffa..b06a021c3ce 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017002 -RECORD_TITLE: 1-Adamantylamine hydrochloride, Tricyclodecane Hydrochloride, Virasol, Amantadine hydrochloride, Amazolon, 1-Aminoadamantane hydrochloride, Symmetrel, Mantadine, Midantan, Mantadix, Virofral, 1-Adamantanamine hydrochloride, Symadine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Adamantylamine hydrochloride, Tricyclodecane Hydrochloride, Virasol, Amantadine hydrochloride, Amazolon, 1-Aminoadamantane hydrochloride, Symmetrel, Mantadine, Midantan, Mantadix, Virofral, 1-Adamantanamine hydrochloride, Symadine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -36,7 +36,7 @@ CH$LINK: PUBCHEM CID:2130 CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017003.txt index fb43f3940a4..922a25f4fb5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017003 -RECORD_TITLE: 1-Adamantylamine hydrochloride, Tricyclodecane Hydrochloride, Virasol, Amantadine hydrochloride, Amazolon, 1-Aminoadamantane hydrochloride, Symmetrel, Mantadine, Midantan, Mantadix, Virofral, 1-Adamantanamine hydrochloride, Symadine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Adamantylamine hydrochloride, Tricyclodecane Hydrochloride, Virasol, Amantadine hydrochloride, Amazolon, 1-Aminoadamantane hydrochloride, Symmetrel, Mantadine, Midantan, Mantadix, Virofral, 1-Adamantanamine hydrochloride, Symadine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -36,7 +36,7 @@ CH$LINK: PUBCHEM CID:2130 CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017004.txt index 8c0af979be8..89d024048fb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017004 -RECORD_TITLE: 1-Adamantylamine hydrochloride, Tricyclodecane Hydrochloride, Virasol, Amantadine hydrochloride, Amazolon, 1-Aminoadamantane hydrochloride, Symmetrel, Mantadine, Midantan, Mantadix, Virofral, 1-Adamantanamine hydrochloride, Symadine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Adamantylamine hydrochloride, Tricyclodecane Hydrochloride, Virasol, Amantadine hydrochloride, Amazolon, 1-Aminoadamantane hydrochloride, Symmetrel, Mantadine, Midantan, Mantadix, Virofral, 1-Adamantanamine hydrochloride, Symadine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -36,7 +36,7 @@ CH$LINK: PUBCHEM CID:2130 CH$LINK: INCHIKEY DKNWSYNQZKUICI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017201.txt index a044151b3d8..39d5bc7dfaa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017201 -RECORD_TITLE: Aminophen, Benzeneamine, aminobenzene, phenylamine, Arylamine, Benzidam, Anyvim, kyanol, Krystallin, Benzamine, Aniline, Aminobenzene; LC-ESI-QQ; MS2 +RECORD_TITLE: Aminophen, Benzeneamine, aminobenzene, phenylamine, Arylamine, Benzidam, Anyvim, kyanol, Krystallin, Benzamine, Aniline, Aminobenzene; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:6115 CH$LINK: INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017202.txt index 19f8687c405..58dc390cd39 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017202 -RECORD_TITLE: Aminophen, Benzeneamine, aminobenzene, phenylamine, Arylamine, Benzidam, Anyvim, kyanol, Krystallin, Benzamine, Aniline, Aminobenzene; LC-ESI-QQ; MS2 +RECORD_TITLE: Aminophen, Benzeneamine, aminobenzene, phenylamine, Arylamine, Benzidam, Anyvim, kyanol, Krystallin, Benzamine, Aniline, Aminobenzene; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:6115 CH$LINK: INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017203.txt index 940142972bc..9dc3f10a20b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017203 -RECORD_TITLE: Aminophen, Benzeneamine, aminobenzene, phenylamine, Arylamine, Benzidam, Anyvim, kyanol, Krystallin, Benzamine, Aniline, Aminobenzene; LC-ESI-QQ; MS2 +RECORD_TITLE: Aminophen, Benzeneamine, aminobenzene, phenylamine, Arylamine, Benzidam, Anyvim, kyanol, Krystallin, Benzamine, Aniline, Aminobenzene; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:6115 CH$LINK: INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017204.txt index 6b4b1a370e0..3030b21e51c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017204 -RECORD_TITLE: Aminophen, Benzeneamine, aminobenzene, phenylamine, Arylamine, Benzidam, Anyvim, kyanol, Krystallin, Benzamine, Aniline, Aminobenzene; LC-ESI-QQ; MS2 +RECORD_TITLE: Aminophen, Benzeneamine, aminobenzene, phenylamine, Arylamine, Benzidam, Anyvim, kyanol, Krystallin, Benzamine, Aniline, Aminobenzene; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:6115 CH$LINK: INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017205.txt index ff11708a78c..782341318fd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017205 -RECORD_TITLE: Aminophen, Benzeneamine, aminobenzene, phenylamine, Arylamine, Benzidam, Anyvim, kyanol, Krystallin, Benzamine, Aniline, Aminobenzene; LC-ESI-QQ; MS2 +RECORD_TITLE: Aminophen, Benzeneamine, aminobenzene, phenylamine, Arylamine, Benzidam, Anyvim, kyanol, Krystallin, Benzamine, Aniline, Aminobenzene; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:6115 CH$LINK: INCHIKEY PAYRUJLWNCNPSJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017301.txt index 5624795cb35..5aaf7955ad4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017301 -RECORD_TITLE: Argininosuccinic acid disodium salt, Argininosuccinate; LC-ESI-QQ; MS2 +RECORD_TITLE: Argininosuccinic acid disodium salt, Argininosuccinate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439998 CH$LINK: INCHIKEY KDZOASGQNOPSCU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017302.txt index d0f820a1b81..93886c63469 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017302 -RECORD_TITLE: Argininosuccinic acid disodium salt, Argininosuccinate; LC-ESI-QQ; MS2 +RECORD_TITLE: Argininosuccinic acid disodium salt, Argininosuccinate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439998 CH$LINK: INCHIKEY KDZOASGQNOPSCU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017303.txt index e5889e27ced..54c14dffcc9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017303 -RECORD_TITLE: Argininosuccinic acid disodium salt, Argininosuccinate; LC-ESI-QQ; MS2 +RECORD_TITLE: Argininosuccinic acid disodium salt, Argininosuccinate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439998 CH$LINK: INCHIKEY KDZOASGQNOPSCU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017304.txt index 80c83b06c7a..7e43e150d26 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017304 -RECORD_TITLE: Argininosuccinic acid disodium salt, Argininosuccinate; LC-ESI-QQ; MS2 +RECORD_TITLE: Argininosuccinic acid disodium salt, Argininosuccinate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439998 CH$LINK: INCHIKEY KDZOASGQNOPSCU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017401.txt index 786383e7f3e..8e7a25a1188 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017401 -RECORD_TITLE: Amidinobenzene hydrochloride, Benzenecarboximidamide hydrochloride, Benzamidinium chloride, Benzamidine hydrochloride hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Amidinobenzene hydrochloride, Benzenecarboximidamide hydrochloride, Benzamidinium chloride, Benzamidine hydrochloride hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:2332 CH$LINK: INCHIKEY PXXJHWLDUBFPOL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017402.txt index 26269d59432..f0ef6debeff 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017402 -RECORD_TITLE: Amidinobenzene hydrochloride, Benzenecarboximidamide hydrochloride, Benzamidinium chloride, Benzamidine hydrochloride hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Amidinobenzene hydrochloride, Benzenecarboximidamide hydrochloride, Benzamidinium chloride, Benzamidine hydrochloride hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:2332 CH$LINK: INCHIKEY PXXJHWLDUBFPOL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017403.txt index c9308f6331f..3e7a9f7ee55 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017403 -RECORD_TITLE: Amidinobenzene hydrochloride, Benzenecarboximidamide hydrochloride, Benzamidinium chloride, Benzamidine hydrochloride hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Amidinobenzene hydrochloride, Benzenecarboximidamide hydrochloride, Benzamidinium chloride, Benzamidine hydrochloride hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:2332 CH$LINK: INCHIKEY PXXJHWLDUBFPOL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017404.txt index 7b94bd92bd3..70ffd808b43 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017404 -RECORD_TITLE: Amidinobenzene hydrochloride, Benzenecarboximidamide hydrochloride, Benzamidinium chloride, Benzamidine hydrochloride hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Amidinobenzene hydrochloride, Benzenecarboximidamide hydrochloride, Benzamidinium chloride, Benzamidine hydrochloride hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:2332 CH$LINK: INCHIKEY PXXJHWLDUBFPOL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017405.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017405.txt index 960657e9c54..47cf09feab1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017405.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017405 -RECORD_TITLE: Amidinobenzene hydrochloride, Benzenecarboximidamide hydrochloride, Benzamidinium chloride, Benzamidine hydrochloride hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Amidinobenzene hydrochloride, Benzenecarboximidamide hydrochloride, Benzamidinium chloride, Benzamidine hydrochloride hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:2332 CH$LINK: INCHIKEY PXXJHWLDUBFPOL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017406.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017406.txt index 0b10c7542b8..b297f8d4eab 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017406.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017406.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017406 -RECORD_TITLE: Amidinobenzene hydrochloride, Benzenecarboximidamide hydrochloride, Benzamidinium chloride, Benzamidine hydrochloride hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Amidinobenzene hydrochloride, Benzenecarboximidamide hydrochloride, Benzamidinium chloride, Benzamidine hydrochloride hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:2332 CH$LINK: INCHIKEY PXXJHWLDUBFPOL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017501.txt index 75565d1ae03..5fe28b344d0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017501 -RECORD_TITLE: Americaine, Ethyl p-aminobenzoate, Anesthesin, Keloform, Amben ethyl ester, Parathesin, Anesthone, 4-Carbethoxyaniline, Anestezin, Topcaine, 4-Aminobenzoic acid ethyl ester, Norcain, Benzocaine solution , Orthesin; LC-ESI-QQ; MS2 +RECORD_TITLE: Americaine, Ethyl p-aminobenzoate, Anesthesin, Keloform, Amben ethyl ester, Parathesin, Anesthone, 4-Carbethoxyaniline, Anestezin, Topcaine, 4-Aminobenzoic acid ethyl ester, Norcain, Benzocaine solution , Orthesin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -36,7 +36,7 @@ CH$LINK: PUBCHEM CID:2337 CH$LINK: INCHIKEY BLFLLBZGZJTVJG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017502.txt index f90c9f757f3..8a70e1995d4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017502 -RECORD_TITLE: Americaine, Ethyl p-aminobenzoate, Anesthesin, Keloform, Amben ethyl ester, Parathesin, Anesthone, 4-Carbethoxyaniline, Anestezin, Topcaine, 4-Aminobenzoic acid ethyl ester, Norcain, Benzocaine solution , Orthesin; LC-ESI-QQ; MS2 +RECORD_TITLE: Americaine, Ethyl p-aminobenzoate, Anesthesin, Keloform, Amben ethyl ester, Parathesin, Anesthone, 4-Carbethoxyaniline, Anestezin, Topcaine, 4-Aminobenzoic acid ethyl ester, Norcain, Benzocaine solution , Orthesin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -36,7 +36,7 @@ CH$LINK: PUBCHEM CID:2337 CH$LINK: INCHIKEY BLFLLBZGZJTVJG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017503.txt index 33b5af6cb0a..4a81d7a2f70 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017503 -RECORD_TITLE: Americaine, Ethyl p-aminobenzoate, Anesthesin, Keloform, Amben ethyl ester, Parathesin, Anesthone, 4-Carbethoxyaniline, Anestezin, Topcaine, 4-Aminobenzoic acid ethyl ester, Norcain, Benzocaine solution , Orthesin; LC-ESI-QQ; MS2 +RECORD_TITLE: Americaine, Ethyl p-aminobenzoate, Anesthesin, Keloform, Amben ethyl ester, Parathesin, Anesthone, 4-Carbethoxyaniline, Anestezin, Topcaine, 4-Aminobenzoic acid ethyl ester, Norcain, Benzocaine solution , Orthesin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -36,7 +36,7 @@ CH$LINK: PUBCHEM CID:2337 CH$LINK: INCHIKEY BLFLLBZGZJTVJG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017504.txt index 1f23a96f271..e7bdaf16153 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017504 -RECORD_TITLE: Americaine, Ethyl p-aminobenzoate, Anesthesin, Keloform, Amben ethyl ester, Parathesin, Anesthone, 4-Carbethoxyaniline, Anestezin, Topcaine, 4-Aminobenzoic acid ethyl ester, Norcain, Benzocaine solution , Orthesin; LC-ESI-QQ; MS2 +RECORD_TITLE: Americaine, Ethyl p-aminobenzoate, Anesthesin, Keloform, Amben ethyl ester, Parathesin, Anesthone, 4-Carbethoxyaniline, Anestezin, Topcaine, 4-Aminobenzoic acid ethyl ester, Norcain, Benzocaine solution , Orthesin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -36,7 +36,7 @@ CH$LINK: PUBCHEM CID:2337 CH$LINK: INCHIKEY BLFLLBZGZJTVJG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017505.txt index b137222934a..3a4f8c93089 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017505 -RECORD_TITLE: Americaine, Ethyl p-aminobenzoate, Anesthesin, Keloform, Amben ethyl ester, Parathesin, Anesthone, 4-Carbethoxyaniline, Anestezin, Topcaine, 4-Aminobenzoic acid ethyl ester, Norcain, Benzocaine solution , Orthesin; LC-ESI-QQ; MS2 +RECORD_TITLE: Americaine, Ethyl p-aminobenzoate, Anesthesin, Keloform, Amben ethyl ester, Parathesin, Anesthone, 4-Carbethoxyaniline, Anestezin, Topcaine, 4-Aminobenzoic acid ethyl ester, Norcain, Benzocaine solution , Orthesin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -36,7 +36,7 @@ CH$LINK: PUBCHEM CID:2337 CH$LINK: INCHIKEY BLFLLBZGZJTVJG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017701.txt index 6be3e8ee76b..0e613a206b0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017701 -RECORD_TITLE: trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:689043 CH$LINK: INCHIKEY QAIPRVGONGVQAS-DUXPYHPUSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017702.txt index fe383759312..49464deeb46 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017702 -RECORD_TITLE: trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:689043 CH$LINK: INCHIKEY QAIPRVGONGVQAS-DUXPYHPUSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017707.txt index 41a4b391411..40472eeba1c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017707 -RECORD_TITLE: trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:689043 CH$LINK: INCHIKEY QAIPRVGONGVQAS-DUXPYHPUSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017708.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017708.txt index 5bf04696080..9529c6b06b7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017708.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017708 -RECORD_TITLE: trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:689043 CH$LINK: INCHIKEY QAIPRVGONGVQAS-DUXPYHPUSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017709.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017709.txt index b3013303c9f..bc2df7ae943 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017709.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS017709.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS017709 -RECORD_TITLE: trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:689043 CH$LINK: INCHIKEY QAIPRVGONGVQAS-DUXPYHPUSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018401.txt index 32f0770c5f6..5b64db5071e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018401 -RECORD_TITLE: Creatine,anhydrous, Krebiozon, alpha-Methylguanidinoacetic Acid, Methyl Glycocyamine, (alpha-Methylguanido)acetic acid, N-Amidinosarcosine; LC-ESI-QQ; MS2 +RECORD_TITLE: Creatine,anhydrous, Krebiozon, alpha-Methylguanidinoacetic Acid, Methyl Glycocyamine, (alpha-Methylguanido)acetic acid, N-Amidinosarcosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:586 CH$LINK: INCHIKEY CVSVTCORWBXHQV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018402.txt index 724288142c7..f7689e292a0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018402 -RECORD_TITLE: Creatine,anhydrous, Krebiozon, alpha-Methylguanidinoacetic Acid, Methyl Glycocyamine, (alpha-Methylguanido)acetic acid, N-Amidinosarcosine; LC-ESI-QQ; MS2 +RECORD_TITLE: Creatine,anhydrous, Krebiozon, alpha-Methylguanidinoacetic Acid, Methyl Glycocyamine, (alpha-Methylguanido)acetic acid, N-Amidinosarcosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:586 CH$LINK: INCHIKEY CVSVTCORWBXHQV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018403.txt index 3df4ab10e4c..8c23e76a69c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018403 -RECORD_TITLE: Creatine,anhydrous, Krebiozon, alpha-Methylguanidinoacetic Acid, Methyl Glycocyamine, (alpha-Methylguanido)acetic acid, N-Amidinosarcosine; LC-ESI-QQ; MS2 +RECORD_TITLE: Creatine,anhydrous, Krebiozon, alpha-Methylguanidinoacetic Acid, Methyl Glycocyamine, (alpha-Methylguanido)acetic acid, N-Amidinosarcosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:586 CH$LINK: INCHIKEY CVSVTCORWBXHQV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018404.txt index a08a4005695..3775074dc74 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018404 -RECORD_TITLE: Creatine,anhydrous, Krebiozon, alpha-Methylguanidinoacetic Acid, Methyl Glycocyamine, (alpha-Methylguanido)acetic acid, N-Amidinosarcosine; LC-ESI-QQ; MS2 +RECORD_TITLE: Creatine,anhydrous, Krebiozon, alpha-Methylguanidinoacetic Acid, Methyl Glycocyamine, (alpha-Methylguanido)acetic acid, N-Amidinosarcosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:586 CH$LINK: INCHIKEY CVSVTCORWBXHQV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018405.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018405.txt index e69b22261d9..12d10071bb4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018405.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018405 -RECORD_TITLE: Creatine,anhydrous, Krebiozon, alpha-Methylguanidinoacetic Acid, Methyl Glycocyamine, (alpha-Methylguanido)acetic acid, N-Amidinosarcosine; LC-ESI-QQ; MS2 +RECORD_TITLE: Creatine,anhydrous, Krebiozon, alpha-Methylguanidinoacetic Acid, Methyl Glycocyamine, (alpha-Methylguanido)acetic acid, N-Amidinosarcosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:586 CH$LINK: INCHIKEY CVSVTCORWBXHQV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018406.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018406.txt index bd9b9da624b..2fc250fa900 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018406.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018406.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018406 -RECORD_TITLE: Creatine,anhydrous, Krebiozon, alpha-Methylguanidinoacetic Acid, Methyl Glycocyamine, (alpha-Methylguanido)acetic acid, N-Amidinosarcosine; LC-ESI-QQ; MS2 +RECORD_TITLE: Creatine,anhydrous, Krebiozon, alpha-Methylguanidinoacetic Acid, Methyl Glycocyamine, (alpha-Methylguanido)acetic acid, N-Amidinosarcosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:586 CH$LINK: INCHIKEY CVSVTCORWBXHQV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018501.txt index 8303fccf79a..b41eb999e63 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018501 -RECORD_TITLE: 2-Imino-1-methylimidazolidin-4-one, Creatinine,anhydrous, 2-Amino-1-methylimidazolidin-4-one, 1-methylhydantoin-2-imide, 2-Imino-N-methylhydantoin, 2-amino-1-methyl-4-imidazolidinone, 1-Methylglycocyamidine; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Imino-1-methylimidazolidin-4-one, Creatinine,anhydrous, 2-Amino-1-methylimidazolidin-4-one, 1-methylhydantoin-2-imide, 2-Imino-N-methylhydantoin, 2-amino-1-methyl-4-imidazolidinone, 1-Methylglycocyamidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:588 CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018502.txt index 2f0dcb0e32e..4ca6d823ed5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018502 -RECORD_TITLE: 2-Imino-1-methylimidazolidin-4-one, Creatinine,anhydrous, 2-Amino-1-methylimidazolidin-4-one, 1-methylhydantoin-2-imide, 2-Imino-N-methylhydantoin, 2-amino-1-methyl-4-imidazolidinone, 1-Methylglycocyamidine; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Imino-1-methylimidazolidin-4-one, Creatinine,anhydrous, 2-Amino-1-methylimidazolidin-4-one, 1-methylhydantoin-2-imide, 2-Imino-N-methylhydantoin, 2-amino-1-methyl-4-imidazolidinone, 1-Methylglycocyamidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:588 CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018503.txt index c1d19580f60..f125a5abb02 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018503 -RECORD_TITLE: 2-Imino-1-methylimidazolidin-4-one, Creatinine,anhydrous, 2-Amino-1-methylimidazolidin-4-one, 1-methylhydantoin-2-imide, 2-Imino-N-methylhydantoin, 2-amino-1-methyl-4-imidazolidinone, 1-Methylglycocyamidine; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Imino-1-methylimidazolidin-4-one, Creatinine,anhydrous, 2-Amino-1-methylimidazolidin-4-one, 1-methylhydantoin-2-imide, 2-Imino-N-methylhydantoin, 2-amino-1-methyl-4-imidazolidinone, 1-Methylglycocyamidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:588 CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018504.txt index 802052d42f8..2281e483a75 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018504 -RECORD_TITLE: 2-Imino-1-methylimidazolidin-4-one, Creatinine,anhydrous, 2-Amino-1-methylimidazolidin-4-one, 1-methylhydantoin-2-imide, 2-Imino-N-methylhydantoin, 2-amino-1-methyl-4-imidazolidinone, 1-Methylglycocyamidine; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Imino-1-methylimidazolidin-4-one, Creatinine,anhydrous, 2-Amino-1-methylimidazolidin-4-one, 1-methylhydantoin-2-imide, 2-Imino-N-methylhydantoin, 2-amino-1-methyl-4-imidazolidinone, 1-Methylglycocyamidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:588 CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018505.txt index 8d7e4c3930a..ace8a4af5b7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018505 -RECORD_TITLE: 2-Imino-1-methylimidazolidin-4-one, Creatinine,anhydrous, 2-Amino-1-methylimidazolidin-4-one, 1-methylhydantoin-2-imide, 2-Imino-N-methylhydantoin, 2-amino-1-methyl-4-imidazolidinone, 1-Methylglycocyamidine; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Imino-1-methylimidazolidin-4-one, Creatinine,anhydrous, 2-Amino-1-methylimidazolidin-4-one, 1-methylhydantoin-2-imide, 2-Imino-N-methylhydantoin, 2-amino-1-methyl-4-imidazolidinone, 1-Methylglycocyamidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:588 CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018506.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018506.txt index c9a77b22f06..43c9d55f8e3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018506.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018506 -RECORD_TITLE: 2-Imino-1-methylimidazolidin-4-one, Creatinine,anhydrous, 2-Amino-1-methylimidazolidin-4-one, 1-methylhydantoin-2-imide, 2-Imino-N-methylhydantoin, 2-amino-1-methyl-4-imidazolidinone, 1-Methylglycocyamidine; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Imino-1-methylimidazolidin-4-one, Creatinine,anhydrous, 2-Amino-1-methylimidazolidin-4-one, 1-methylhydantoin-2-imide, 2-Imino-N-methylhydantoin, 2-amino-1-methyl-4-imidazolidinone, 1-Methylglycocyamidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:588 CH$LINK: INCHIKEY DDRJAANPRJIHGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018601.txt index 7be60b182ef..547dcc34841 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018601 -RECORD_TITLE: Crotonoyl-CoA, 2-Butenoyl coenzyme A lithium salt , Crotonoyl coenzyme A lithium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Crotonoyl-CoA, 2-Butenoyl coenzyme A lithium salt , Crotonoyl coenzyme A lithium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280381 CH$LINK: INCHIKEY KFWWCMJSYSSPSK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018602.txt index b1556055e19..d94dbe9d681 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018602 -RECORD_TITLE: Crotonoyl-CoA, 2-Butenoyl coenzyme A lithium salt , Crotonoyl coenzyme A lithium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Crotonoyl-CoA, 2-Butenoyl coenzyme A lithium salt , Crotonoyl coenzyme A lithium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280381 CH$LINK: INCHIKEY KFWWCMJSYSSPSK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018603.txt index 463f2e87497..ce969e0667b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018603 -RECORD_TITLE: Crotonoyl-CoA, 2-Butenoyl coenzyme A lithium salt , Crotonoyl coenzyme A lithium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Crotonoyl-CoA, 2-Butenoyl coenzyme A lithium salt , Crotonoyl coenzyme A lithium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280381 CH$LINK: INCHIKEY KFWWCMJSYSSPSK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018604.txt index 62d0347d0cc..5f350113784 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018604 -RECORD_TITLE: Crotonoyl-CoA, 2-Butenoyl coenzyme A lithium salt , Crotonoyl coenzyme A lithium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Crotonoyl-CoA, 2-Butenoyl coenzyme A lithium salt , Crotonoyl coenzyme A lithium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280381 CH$LINK: INCHIKEY KFWWCMJSYSSPSK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018605.txt index c9666ffddf6..5d99851c155 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018605 -RECORD_TITLE: Crotonoyl-CoA, 2-Butenoyl coenzyme A lithium salt , Crotonoyl coenzyme A lithium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Crotonoyl-CoA, 2-Butenoyl coenzyme A lithium salt , Crotonoyl coenzyme A lithium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280381 CH$LINK: INCHIKEY KFWWCMJSYSSPSK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018606.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018606.txt index 0b69eb3774b..8f74c348986 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018606.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018606.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018606 -RECORD_TITLE: Crotonoyl-CoA, 2-Butenoyl coenzyme A lithium salt , Crotonoyl coenzyme A lithium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Crotonoyl-CoA, 2-Butenoyl coenzyme A lithium salt , Crotonoyl coenzyme A lithium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280381 CH$LINK: INCHIKEY KFWWCMJSYSSPSK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018607.txt index caf1fab0c7e..2637611f8de 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018607 -RECORD_TITLE: Crotonoyl-CoA, 2-Butenoyl coenzyme A lithium salt , Crotonoyl coenzyme A lithium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Crotonoyl-CoA, 2-Butenoyl coenzyme A lithium salt , Crotonoyl coenzyme A lithium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280381 CH$LINK: INCHIKEY KFWWCMJSYSSPSK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018608.txt index 9f365f2d734..bd2156fab53 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018608 -RECORD_TITLE: Crotonoyl-CoA, 2-Butenoyl coenzyme A lithium salt , Crotonoyl coenzyme A lithium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Crotonoyl-CoA, 2-Butenoyl coenzyme A lithium salt , Crotonoyl coenzyme A lithium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280381 CH$LINK: INCHIKEY KFWWCMJSYSSPSK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018609.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018609.txt index 4d9429cb8b9..cff8bbac87b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018609.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018609.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018609 -RECORD_TITLE: Crotonoyl-CoA, 2-Butenoyl coenzyme A lithium salt , Crotonoyl coenzyme A lithium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Crotonoyl-CoA, 2-Butenoyl coenzyme A lithium salt , Crotonoyl coenzyme A lithium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280381 CH$LINK: INCHIKEY KFWWCMJSYSSPSK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018610.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018610.txt index 5e749eb1794..020c9656c96 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018610.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018610.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018610 -RECORD_TITLE: Crotonoyl-CoA, 2-Butenoyl coenzyme A lithium salt , Crotonoyl coenzyme A lithium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Crotonoyl-CoA, 2-Butenoyl coenzyme A lithium salt , Crotonoyl coenzyme A lithium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280381 CH$LINK: INCHIKEY KFWWCMJSYSSPSK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018611.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018611.txt index d71b3f4b040..8e1eae2e435 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018611.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018611.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018611 -RECORD_TITLE: Crotonoyl-CoA, 2-Butenoyl coenzyme A lithium salt , Crotonoyl coenzyme A lithium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Crotonoyl-CoA, 2-Butenoyl coenzyme A lithium salt , Crotonoyl coenzyme A lithium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280381 CH$LINK: INCHIKEY KFWWCMJSYSSPSK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018701.txt index d07d26e28f8..8eec328322a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018701 -RECORD_TITLE: S-(2-Amino-2-carboxyethyl)homocysteine, DL,DL-allo-Cystathionine, Cystathionine; LC-ESI-QQ; MS2 +RECORD_TITLE: S-(2-Amino-2-carboxyethyl)homocysteine, DL,DL-allo-Cystathionine, Cystathionine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:834 CH$LINK: INCHIKEY ILRYLPWNYFXEMH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018702.txt index 14dbd69df4e..954b7021c34 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018702 -RECORD_TITLE: S-(2-Amino-2-carboxyethyl)homocysteine, DL,DL-allo-Cystathionine, Cystathionine; LC-ESI-QQ; MS2 +RECORD_TITLE: S-(2-Amino-2-carboxyethyl)homocysteine, DL,DL-allo-Cystathionine, Cystathionine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:834 CH$LINK: INCHIKEY ILRYLPWNYFXEMH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018703.txt index d15cae36891..73cb114039e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018703 -RECORD_TITLE: S-(2-Amino-2-carboxyethyl)homocysteine, DL,DL-allo-Cystathionine, Cystathionine; LC-ESI-QQ; MS2 +RECORD_TITLE: S-(2-Amino-2-carboxyethyl)homocysteine, DL,DL-allo-Cystathionine, Cystathionine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:834 CH$LINK: INCHIKEY ILRYLPWNYFXEMH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018704.txt index 8d0f7d5cd74..2d01ec85629 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018704 -RECORD_TITLE: S-(2-Amino-2-carboxyethyl)homocysteine, DL,DL-allo-Cystathionine, Cystathionine; LC-ESI-QQ; MS2 +RECORD_TITLE: S-(2-Amino-2-carboxyethyl)homocysteine, DL,DL-allo-Cystathionine, Cystathionine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:834 CH$LINK: INCHIKEY ILRYLPWNYFXEMH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018705.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018705.txt index 868e52efd6c..718bd1ec280 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018705.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018705 -RECORD_TITLE: S-(2-Amino-2-carboxyethyl)homocysteine, DL,DL-allo-Cystathionine, Cystathionine; LC-ESI-QQ; MS2 +RECORD_TITLE: S-(2-Amino-2-carboxyethyl)homocysteine, DL,DL-allo-Cystathionine, Cystathionine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:834 CH$LINK: INCHIKEY ILRYLPWNYFXEMH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018801.txt index 4dac9d5715b..f09e4b2a7ab 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018801 -RECORD_TITLE: Cytidine,cell culture tested, Cyd, 1-beta-D-Ribofuranoside cytosine, rC, 4-Amino-1-beta-D-ribofuranosyl-2(1H)-pyrimidinone, Cytosine beta-D-riboside; LC-ESI-QQ; MS2 +RECORD_TITLE: Cytidine,cell culture tested, Cyd, 1-beta-D-Ribofuranoside cytosine, rC, 4-Amino-1-beta-D-ribofuranosyl-2(1H)-pyrimidinone, Cytosine beta-D-riboside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6175 CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000480; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018802.txt index 4f6ca9bffbc..a59f841b368 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018802 -RECORD_TITLE: Cytidine,cell culture tested, Cyd, 1-beta-D-Ribofuranoside cytosine, rC, 4-Amino-1-beta-D-ribofuranosyl-2(1H)-pyrimidinone, Cytosine beta-D-riboside; LC-ESI-QQ; MS2 +RECORD_TITLE: Cytidine,cell culture tested, Cyd, 1-beta-D-Ribofuranoside cytosine, rC, 4-Amino-1-beta-D-ribofuranosyl-2(1H)-pyrimidinone, Cytosine beta-D-riboside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6175 CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000480; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018803.txt index 54869cd5a63..8babed6d308 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018803 -RECORD_TITLE: Cytidine,cell culture tested, Cyd, 1-beta-D-Ribofuranoside cytosine, rC, 4-Amino-1-beta-D-ribofuranosyl-2(1H)-pyrimidinone, Cytosine beta-D-riboside; LC-ESI-QQ; MS2 +RECORD_TITLE: Cytidine,cell culture tested, Cyd, 1-beta-D-Ribofuranoside cytosine, rC, 4-Amino-1-beta-D-ribofuranosyl-2(1H)-pyrimidinone, Cytosine beta-D-riboside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6175 CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000480; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018804.txt index 84d57c397db..badd0c4567f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018804 -RECORD_TITLE: Cytidine,cell culture tested, Cyd, 1-beta-D-Ribofuranoside cytosine, rC, 4-Amino-1-beta-D-ribofuranosyl-2(1H)-pyrimidinone, Cytosine beta-D-riboside; LC-ESI-QQ; MS2 +RECORD_TITLE: Cytidine,cell culture tested, Cyd, 1-beta-D-Ribofuranoside cytosine, rC, 4-Amino-1-beta-D-ribofuranosyl-2(1H)-pyrimidinone, Cytosine beta-D-riboside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6175 CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000480; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018805.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018805.txt index 3059fab415e..45f99a25452 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018805.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018805 -RECORD_TITLE: Cytidine,cell culture tested, Cyd, 1-beta-D-Ribofuranoside cytosine, rC, 4-Amino-1-beta-D-ribofuranosyl-2(1H)-pyrimidinone, Cytosine beta-D-riboside; LC-ESI-QQ; MS2 +RECORD_TITLE: Cytidine,cell culture tested, Cyd, 1-beta-D-Ribofuranoside cytosine, rC, 4-Amino-1-beta-D-ribofuranosyl-2(1H)-pyrimidinone, Cytosine beta-D-riboside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6175 CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000480; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018806.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018806.txt index 2b166b359b3..4fb2555e91e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018806.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018806.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018806 -RECORD_TITLE: Cytidine,cell culture tested, Cyd, 1-beta-D-Ribofuranoside cytosine, rC, 4-Amino-1-beta-D-ribofuranosyl-2(1H)-pyrimidinone, Cytosine beta-D-riboside; LC-ESI-QQ; MS2 +RECORD_TITLE: Cytidine,cell culture tested, Cyd, 1-beta-D-Ribofuranoside cytosine, rC, 4-Amino-1-beta-D-ribofuranosyl-2(1H)-pyrimidinone, Cytosine beta-D-riboside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6175 CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000480; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018807.txt index 05a2599e4d1..9f125a0d216 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018807 -RECORD_TITLE: Cytidine,cell culture tested, Cyd, 1-beta-D-Ribofuranoside cytosine, rC, 4-Amino-1-beta-D-ribofuranosyl-2(1H)-pyrimidinone, Cytosine beta-D-riboside; LC-ESI-QQ; MS2 +RECORD_TITLE: Cytidine,cell culture tested, Cyd, 1-beta-D-Ribofuranoside cytosine, rC, 4-Amino-1-beta-D-ribofuranosyl-2(1H)-pyrimidinone, Cytosine beta-D-riboside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6175 CH$LINK: INCHIKEY UHDGCWIWMRVCDJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000480; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018901.txt index 1a7690e9d0e..4e603056c7c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018901 -RECORD_TITLE: 3',5'-Cyclic CMP, cCMP, Cytidine-3',5'-cyclicmonophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5'-Cyclic CMP, cCMP, Cytidine-3',5'-cyclicmonophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:19236 CH$LINK: INCHIKEY WCPTXJJVVDAEMW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018902.txt index a8b699f354f..c431fed643c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018902 -RECORD_TITLE: 3',5'-Cyclic CMP, cCMP, Cytidine-3',5'-cyclicmonophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5'-Cyclic CMP, cCMP, Cytidine-3',5'-cyclicmonophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:19236 CH$LINK: INCHIKEY WCPTXJJVVDAEMW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018903.txt index c628ca02ab2..45bf07a4df6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018903 -RECORD_TITLE: 3',5'-Cyclic CMP, cCMP, Cytidine-3',5'-cyclicmonophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5'-Cyclic CMP, cCMP, Cytidine-3',5'-cyclicmonophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:19236 CH$LINK: INCHIKEY WCPTXJJVVDAEMW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018904.txt index 7da8397fd03..1820e59025c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018904 -RECORD_TITLE: 3',5'-Cyclic CMP, cCMP, Cytidine-3',5'-cyclicmonophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5'-Cyclic CMP, cCMP, Cytidine-3',5'-cyclicmonophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:19236 CH$LINK: INCHIKEY WCPTXJJVVDAEMW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018905.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018905.txt index 652768ee1bc..98f05b43101 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018905.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018905 -RECORD_TITLE: 3',5'-Cyclic CMP, cCMP, Cytidine-3',5'-cyclicmonophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5'-Cyclic CMP, cCMP, Cytidine-3',5'-cyclicmonophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:19236 CH$LINK: INCHIKEY WCPTXJJVVDAEMW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018906.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018906.txt index c10867ac7bf..5a2d4b315f3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018906.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018906.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018906 -RECORD_TITLE: 3',5'-Cyclic CMP, cCMP, Cytidine-3',5'-cyclicmonophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5'-Cyclic CMP, cCMP, Cytidine-3',5'-cyclicmonophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:19236 CH$LINK: INCHIKEY WCPTXJJVVDAEMW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018907.txt index ba244d9d94e..78c2eaa2393 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018907 -RECORD_TITLE: 3',5'-Cyclic CMP, cCMP, Cytidine-3',5'-cyclicmonophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5'-Cyclic CMP, cCMP, Cytidine-3',5'-cyclicmonophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:19236 CH$LINK: INCHIKEY WCPTXJJVVDAEMW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018908.txt index ff0c4794ab9..bfcbfca902f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018908 -RECORD_TITLE: 3',5'-Cyclic CMP, cCMP, Cytidine-3',5'-cyclicmonophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5'-Cyclic CMP, cCMP, Cytidine-3',5'-cyclicmonophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:19236 CH$LINK: INCHIKEY WCPTXJJVVDAEMW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018909.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018909.txt index f6f88cca0ab..06138a7ebb8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018909.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018909 -RECORD_TITLE: 3',5'-Cyclic CMP, cCMP, Cytidine-3',5'-cyclicmonophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5'-Cyclic CMP, cCMP, Cytidine-3',5'-cyclicmonophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:19236 CH$LINK: INCHIKEY WCPTXJJVVDAEMW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018910.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018910.txt index a0d8f96f96e..677fd18d57b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018910.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS018910.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS018910 -RECORD_TITLE: 3',5'-Cyclic CMP, cCMP, Cytidine-3',5'-cyclicmonophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5'-Cyclic CMP, cCMP, Cytidine-3',5'-cyclicmonophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:19236 CH$LINK: INCHIKEY WCPTXJJVVDAEMW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019001.txt index d2c7d0c7c6f..833edccd7a5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019001 -RECORD_TITLE: Cytidine-5'-diphosphate sodium salt hydrate,from yeast, Cytidine 5'-Diphosphoric Acid , CDP Sodium Salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Cytidine-5'-diphosphate sodium salt hydrate,from yeast, Cytidine 5'-Diphosphoric Acid , CDP Sodium Salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6132 CH$LINK: INCHIKEY ZWIADYZPOWUWEW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019002.txt index c30582187a8..693303d90e3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019002 -RECORD_TITLE: Cytidine-5'-diphosphate sodium salt hydrate,from yeast, Cytidine 5'-Diphosphoric Acid , CDP Sodium Salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Cytidine-5'-diphosphate sodium salt hydrate,from yeast, Cytidine 5'-Diphosphoric Acid , CDP Sodium Salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6132 CH$LINK: INCHIKEY ZWIADYZPOWUWEW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019003.txt index 2fe188a8d7f..40c38e0aaa9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019003 -RECORD_TITLE: Cytidine-5'-diphosphate sodium salt hydrate,from yeast, Cytidine 5'-Diphosphoric Acid , CDP Sodium Salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Cytidine-5'-diphosphate sodium salt hydrate,from yeast, Cytidine 5'-Diphosphoric Acid , CDP Sodium Salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6132 CH$LINK: INCHIKEY ZWIADYZPOWUWEW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019004.txt index 08c180703ae..ddfeded77c1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019004 -RECORD_TITLE: Cytidine-5'-diphosphate sodium salt hydrate,from yeast, Cytidine 5'-Diphosphoric Acid , CDP Sodium Salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Cytidine-5'-diphosphate sodium salt hydrate,from yeast, Cytidine 5'-Diphosphoric Acid , CDP Sodium Salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6132 CH$LINK: INCHIKEY ZWIADYZPOWUWEW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019005.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019005.txt index 2ad9a00bf80..c702badd8c7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019005.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019005 -RECORD_TITLE: Cytidine-5'-diphosphate sodium salt hydrate,from yeast, Cytidine 5'-Diphosphoric Acid , CDP Sodium Salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Cytidine-5'-diphosphate sodium salt hydrate,from yeast, Cytidine 5'-Diphosphoric Acid , CDP Sodium Salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6132 CH$LINK: INCHIKEY ZWIADYZPOWUWEW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019006.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019006.txt index 565b05651d3..4deb8d1be36 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019006.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019006.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019006 -RECORD_TITLE: Cytidine-5'-diphosphate sodium salt hydrate,from yeast, Cytidine 5'-Diphosphoric Acid , CDP Sodium Salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Cytidine-5'-diphosphate sodium salt hydrate,from yeast, Cytidine 5'-Diphosphoric Acid , CDP Sodium Salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6132 CH$LINK: INCHIKEY ZWIADYZPOWUWEW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019007.txt index 4b5ba9711a2..82ade7b65fe 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019007 -RECORD_TITLE: Cytidine-5'-diphosphate sodium salt hydrate,from yeast, Cytidine 5'-Diphosphoric Acid , CDP Sodium Salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Cytidine-5'-diphosphate sodium salt hydrate,from yeast, Cytidine 5'-Diphosphoric Acid , CDP Sodium Salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6132 CH$LINK: INCHIKEY ZWIADYZPOWUWEW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019101.txt index e41af11607e..2ebf94b7898 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019101 -RECORD_TITLE: Cereb, Reagin, Niticolin, Cytidine-5'-diphosphocholine sodium salt dihydrate, from yeast, solid , Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin; LC-ESI-QQ; MS2 +RECORD_TITLE: Cereb, Reagin, Niticolin, Cytidine-5'-diphosphocholine sodium salt dihydrate, from yeast, solid , Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -51,7 +51,7 @@ CH$LINK: PUBCHEM CID:13804 CH$LINK: INCHIKEY RZZPDXZPRHQOCG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019102.txt index a1d5caf7097..189d39d2da6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019102 -RECORD_TITLE: Cereb, Reagin, Niticolin, Cytidine-5'-diphosphocholine sodium salt dihydrate, from yeast, solid , Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin; LC-ESI-QQ; MS2 +RECORD_TITLE: Cereb, Reagin, Niticolin, Cytidine-5'-diphosphocholine sodium salt dihydrate, from yeast, solid , Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -51,7 +51,7 @@ CH$LINK: PUBCHEM CID:13804 CH$LINK: INCHIKEY RZZPDXZPRHQOCG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019103.txt index d7f35483cd2..19e8f394c80 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019103 -RECORD_TITLE: Cereb, Reagin, Niticolin, Cytidine-5'-diphosphocholine sodium salt dihydrate, from yeast, solid , Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin; LC-ESI-QQ; MS2 +RECORD_TITLE: Cereb, Reagin, Niticolin, Cytidine-5'-diphosphocholine sodium salt dihydrate, from yeast, solid , Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -51,7 +51,7 @@ CH$LINK: PUBCHEM CID:13804 CH$LINK: INCHIKEY RZZPDXZPRHQOCG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019104.txt index c24f1f20033..707945fce62 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019104 -RECORD_TITLE: Cereb, Reagin, Niticolin, Cytidine-5'-diphosphocholine sodium salt dihydrate, from yeast, solid , Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin; LC-ESI-QQ; MS2 +RECORD_TITLE: Cereb, Reagin, Niticolin, Cytidine-5'-diphosphocholine sodium salt dihydrate, from yeast, solid , Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -51,7 +51,7 @@ CH$LINK: PUBCHEM CID:13804 CH$LINK: INCHIKEY RZZPDXZPRHQOCG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019105.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019105.txt index 6e38f8738f9..feb905b9e6c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019105.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019105 -RECORD_TITLE: Cereb, Reagin, Niticolin, Cytidine-5'-diphosphocholine sodium salt dihydrate, from yeast, solid , Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin; LC-ESI-QQ; MS2 +RECORD_TITLE: Cereb, Reagin, Niticolin, Cytidine-5'-diphosphocholine sodium salt dihydrate, from yeast, solid , Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -51,7 +51,7 @@ CH$LINK: PUBCHEM CID:13804 CH$LINK: INCHIKEY RZZPDXZPRHQOCG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019106.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019106.txt index 19e68a68d28..6de8afbd4cc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019106.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019106 -RECORD_TITLE: Cereb, Reagin, Niticolin, Cytidine-5'-diphosphocholine sodium salt dihydrate, from yeast, solid , Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin; LC-ESI-QQ; MS2 +RECORD_TITLE: Cereb, Reagin, Niticolin, Cytidine-5'-diphosphocholine sodium salt dihydrate, from yeast, solid , Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -51,7 +51,7 @@ CH$LINK: PUBCHEM CID:13804 CH$LINK: INCHIKEY RZZPDXZPRHQOCG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019107.txt index fe82fe3f418..700b5881e56 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019107 -RECORD_TITLE: Cereb, Reagin, Niticolin, Cytidine-5'-diphosphocholine sodium salt dihydrate, from yeast, solid , Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin; LC-ESI-QQ; MS2 +RECORD_TITLE: Cereb, Reagin, Niticolin, Cytidine-5'-diphosphocholine sodium salt dihydrate, from yeast, solid , Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -51,7 +51,7 @@ CH$LINK: PUBCHEM CID:13804 CH$LINK: INCHIKEY RZZPDXZPRHQOCG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019108.txt index 0e70b180170..4c7e6c6072d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019108 -RECORD_TITLE: Cereb, Reagin, Niticolin, Cytidine-5'-diphosphocholine sodium salt dihydrate, from yeast, solid , Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin; LC-ESI-QQ; MS2 +RECORD_TITLE: Cereb, Reagin, Niticolin, Cytidine-5'-diphosphocholine sodium salt dihydrate, from yeast, solid , Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -51,7 +51,7 @@ CH$LINK: PUBCHEM CID:13804 CH$LINK: INCHIKEY RZZPDXZPRHQOCG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019201.txt index 5acb7965af9..f60782988c4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019201 -RECORD_TITLE: 5'-CMP, C-5'-P, CMP, Cytidine-5'-monophosphate disodium salt,from Saccharomyces cerevisiae, crystalline , cytidylate, Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-CMP, C-5'-P, CMP, Cytidine-5'-monophosphate disodium salt,from Saccharomyces cerevisiae, crystalline , cytidylate, Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6131 CH$LINK: INCHIKEY IERHLVCPSMICTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019202.txt index 9ae75ecc7be..4202a132dd0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019202 -RECORD_TITLE: 5'-CMP, C-5'-P, CMP, Cytidine-5'-monophosphate disodium salt,from Saccharomyces cerevisiae, crystalline , cytidylate, Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-CMP, C-5'-P, CMP, Cytidine-5'-monophosphate disodium salt,from Saccharomyces cerevisiae, crystalline , cytidylate, Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6131 CH$LINK: INCHIKEY IERHLVCPSMICTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019203.txt index cf5a07742c4..517bf93e4a9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019203 -RECORD_TITLE: 5'-CMP, C-5'-P, CMP, Cytidine-5'-monophosphate disodium salt,from Saccharomyces cerevisiae, crystalline , cytidylate, Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-CMP, C-5'-P, CMP, Cytidine-5'-monophosphate disodium salt,from Saccharomyces cerevisiae, crystalline , cytidylate, Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6131 CH$LINK: INCHIKEY IERHLVCPSMICTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019204.txt index e09264dd1e3..0ddcfd6116e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019204 -RECORD_TITLE: 5'-CMP, C-5'-P, CMP, Cytidine-5'-monophosphate disodium salt,from Saccharomyces cerevisiae, crystalline , cytidylate, Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-CMP, C-5'-P, CMP, Cytidine-5'-monophosphate disodium salt,from Saccharomyces cerevisiae, crystalline , cytidylate, Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6131 CH$LINK: INCHIKEY IERHLVCPSMICTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019205.txt index 85cb6075d56..b9f11a146d9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019205 -RECORD_TITLE: 5'-CMP, C-5'-P, CMP, Cytidine-5'-monophosphate disodium salt,from Saccharomyces cerevisiae, crystalline , cytidylate, Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-CMP, C-5'-P, CMP, Cytidine-5'-monophosphate disodium salt,from Saccharomyces cerevisiae, crystalline , cytidylate, Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6131 CH$LINK: INCHIKEY IERHLVCPSMICTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019206.txt index 26782cd241d..bb4d62fbfd4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019206 -RECORD_TITLE: 5'-CMP, C-5'-P, CMP, Cytidine-5'-monophosphate disodium salt,from Saccharomyces cerevisiae, crystalline , cytidylate, Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-CMP, C-5'-P, CMP, Cytidine-5'-monophosphate disodium salt,from Saccharomyces cerevisiae, crystalline , cytidylate, Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6131 CH$LINK: INCHIKEY IERHLVCPSMICTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019207.txt index d55e37c77e2..29e426a416c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019207 -RECORD_TITLE: 5'-CMP, C-5'-P, CMP, Cytidine-5'-monophosphate disodium salt,from Saccharomyces cerevisiae, crystalline , cytidylate, Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-CMP, C-5'-P, CMP, Cytidine-5'-monophosphate disodium salt,from Saccharomyces cerevisiae, crystalline , cytidylate, Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6131 CH$LINK: INCHIKEY IERHLVCPSMICTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019208.txt index 137ee266aaf..6244851cf4e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019208 -RECORD_TITLE: 5'-CMP, C-5'-P, CMP, Cytidine-5'-monophosphate disodium salt,from Saccharomyces cerevisiae, crystalline , cytidylate, Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-CMP, C-5'-P, CMP, Cytidine-5'-monophosphate disodium salt,from Saccharomyces cerevisiae, crystalline , cytidylate, Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6131 CH$LINK: INCHIKEY IERHLVCPSMICTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019209.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019209.txt index 88638ccc3b7..6b167016996 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019209.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019209 -RECORD_TITLE: 5'-CMP, C-5'-P, CMP, Cytidine-5'-monophosphate disodium salt,from Saccharomyces cerevisiae, crystalline , cytidylate, Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-CMP, C-5'-P, CMP, Cytidine-5'-monophosphate disodium salt,from Saccharomyces cerevisiae, crystalline , cytidylate, Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6131 CH$LINK: INCHIKEY IERHLVCPSMICTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019210.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019210.txt index 410190f7489..feea13e0bec 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019210.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019210.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019210 -RECORD_TITLE: 5'-CMP, C-5'-P, CMP, Cytidine-5'-monophosphate disodium salt,from Saccharomyces cerevisiae, crystalline , cytidylate, Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-CMP, C-5'-P, CMP, Cytidine-5'-monophosphate disodium salt,from Saccharomyces cerevisiae, crystalline , cytidylate, Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6131 CH$LINK: INCHIKEY IERHLVCPSMICTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019211.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019211.txt index d12dc95d572..24d96e92bec 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019211.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019211.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019211 -RECORD_TITLE: 5'-CMP, C-5'-P, CMP, Cytidine-5'-monophosphate disodium salt,from Saccharomyces cerevisiae, crystalline , cytidylate, Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-CMP, C-5'-P, CMP, Cytidine-5'-monophosphate disodium salt,from Saccharomyces cerevisiae, crystalline , cytidylate, Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6131 CH$LINK: INCHIKEY IERHLVCPSMICTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019212.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019212.txt index a8b0a986c7e..b2d11800d9c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019212.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019212.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019212 -RECORD_TITLE: 5'-CMP, C-5'-P, CMP, Cytidine-5'-monophosphate disodium salt,from Saccharomyces cerevisiae, crystalline , cytidylate, Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-CMP, C-5'-P, CMP, Cytidine-5'-monophosphate disodium salt,from Saccharomyces cerevisiae, crystalline , cytidylate, Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6131 CH$LINK: INCHIKEY IERHLVCPSMICTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019301.txt index fd40a311df0..74225181e31 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019301 -RECORD_TITLE: 6-Aminouracil, 4-Amino-2-hydroxypyrimidine, Cytosinimine, 4-Amino-2-hydroxypurine, Cytosine, 4-Amino-2-pyrimidinol, 4-Amino-2-pyridinol, 4-Amino-2-oxo-1,2-dihydropyrimidine; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-Aminouracil, 4-Amino-2-hydroxypyrimidine, Cytosinimine, 4-Amino-2-hydroxypurine, Cytosine, 4-Amino-2-pyrimidinol, 4-Amino-2-pyridinol, 4-Amino-2-oxo-1,2-dihydropyrimidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:597 CH$LINK: INCHIKEY OPTASPLRGRRNAP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019302.txt index dcc0ccf91fc..08414d8dbfb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019302 -RECORD_TITLE: 6-Aminouracil, 4-Amino-2-hydroxypyrimidine, Cytosinimine, 4-Amino-2-hydroxypurine, Cytosine, 4-Amino-2-pyrimidinol, 4-Amino-2-pyridinol, 4-Amino-2-oxo-1,2-dihydropyrimidine; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-Aminouracil, 4-Amino-2-hydroxypyrimidine, Cytosinimine, 4-Amino-2-hydroxypurine, Cytosine, 4-Amino-2-pyrimidinol, 4-Amino-2-pyridinol, 4-Amino-2-oxo-1,2-dihydropyrimidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:597 CH$LINK: INCHIKEY OPTASPLRGRRNAP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019303.txt index 5585c73bad8..bd2a035f665 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019303 -RECORD_TITLE: 6-Aminouracil, 4-Amino-2-hydroxypyrimidine, Cytosinimine, 4-Amino-2-hydroxypurine, Cytosine, 4-Amino-2-pyrimidinol, 4-Amino-2-pyridinol, 4-Amino-2-oxo-1,2-dihydropyrimidine; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-Aminouracil, 4-Amino-2-hydroxypyrimidine, Cytosinimine, 4-Amino-2-hydroxypurine, Cytosine, 4-Amino-2-pyrimidinol, 4-Amino-2-pyridinol, 4-Amino-2-oxo-1,2-dihydropyrimidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:597 CH$LINK: INCHIKEY OPTASPLRGRRNAP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019401.txt index 7ff6a425a56..65407e24901 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019401 -RECORD_TITLE: Arabinopyranose, D-(-)-Arabinose, Ara; LC-ESI-QQ; MS2 +RECORD_TITLE: Arabinopyranose, D-(-)-Arabinose, Ara; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6902 CH$LINK: INCHIKEY SRBFZHDQGSBBOR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019402.txt index 26785bcfcd5..f1f69775a5e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019402 -RECORD_TITLE: Arabinopyranose, D-(-)-Arabinose, Ara; LC-ESI-QQ; MS2 +RECORD_TITLE: Arabinopyranose, D-(-)-Arabinose, Ara; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6902 CH$LINK: INCHIKEY SRBFZHDQGSBBOR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019403.txt index d09b0b9e55f..62da8755466 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019403 -RECORD_TITLE: Arabinopyranose, D-(-)-Arabinose, Ara; LC-ESI-QQ; MS2 +RECORD_TITLE: Arabinopyranose, D-(-)-Arabinose, Ara; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6902 CH$LINK: INCHIKEY SRBFZHDQGSBBOR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019408.txt index 74c8015549f..37bd1575b65 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019408 -RECORD_TITLE: Arabinopyranose, D-(-)-Arabinose, Ara; LC-ESI-QQ; MS2 +RECORD_TITLE: Arabinopyranose, D-(-)-Arabinose, Ara; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6902 CH$LINK: INCHIKEY SRBFZHDQGSBBOR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019507.txt index 9bef95a6a83..481b31d1ded 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019507 -RECORD_TITLE: D-Levulose, Fru, D-(-)-Fructose, Fruit sugar ; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Levulose, Fru, D-(-)-Fructose, Fruit sugar ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439163 CH$LINK: INCHIKEY RFSUNEUAIZKAJO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019601.txt index 7ff8f916a20..4eacfb3478e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019601 -RECORD_TITLE: 3-Mercapto-D-valine, Cupripen, beta-Thiovaline, (2S)-2-Amino-3-methyl-3-sulfanylbutanoic acid, 3,3-Dimethyl-D-cysteine, alpha-Amino-beta-methyl-beta-mercaptobutylic Acid, Kuprenil, Perdolat, Depen, DPA, D-(?)-2-Amino-3-mercapto-3-methylbutanoic acid, D-(-)-Penicillamine; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Mercapto-D-valine, Cupripen, beta-Thiovaline, (2S)-2-Amino-3-methyl-3-sulfanylbutanoic acid, 3,3-Dimethyl-D-cysteine, alpha-Amino-beta-methyl-beta-mercaptobutylic Acid, Kuprenil, Perdolat, Depen, DPA, D-(?)-2-Amino-3-mercapto-3-methylbutanoic acid, D-(-)-Penicillamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:5852 CH$LINK: INCHIKEY VVNCNSJFMMFHPL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019701.txt index 4be1b01aded..ea66b0d824c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019701 -RECORD_TITLE: D-Ribofuranose, D-(-)-Ribose, Rib; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Ribofuranose, D-(-)-Ribose, Rib; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5779 CH$LINK: INCHIKEY HMFHBZSHGGEWLO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019702.txt index d56dae988e0..1c7db3eb487 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019702 -RECORD_TITLE: D-Ribofuranose, D-(-)-Ribose, Rib; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Ribofuranose, D-(-)-Ribose, Rib; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5779 CH$LINK: INCHIKEY HMFHBZSHGGEWLO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019703.txt index 4ef57df63c0..b4d01a43a4a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019703 -RECORD_TITLE: D-Ribofuranose, D-(-)-Ribose, Rib; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Ribofuranose, D-(-)-Ribose, Rib; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5779 CH$LINK: INCHIKEY HMFHBZSHGGEWLO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019807.txt index f13035c3fa6..30177fed8f3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019807 -RECORD_TITLE: D-(+)-Galactose, Gal, Brain sugar, Cerebrose, D-Galactopyranose; LC-ESI-QQ; MS2 +RECORD_TITLE: D-(+)-Galactose, Gal, Brain sugar, Cerebrose, D-Galactopyranose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6036 CH$LINK: INCHIKEY WQZGKKKJIJFFOK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019901.txt index 45dedbf2fd3..d26a85f8fcb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS019901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS019901 -RECORD_TITLE: D-(+)-Glucosamine hydrochloride, GlcN, Chitosamine hydrochloride, 2-Amino-2-deoxy-D-glucose hydrochloride, Cosamin; LC-ESI-QQ; MS2 +RECORD_TITLE: D-(+)-Glucosamine hydrochloride, GlcN, Chitosamine hydrochloride, 2-Amino-2-deoxy-D-glucose hydrochloride, Cosamin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439213 CH$LINK: INCHIKEY MSWZFWKMSRAUBD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020007.txt index bb3db5ee2a5..6045aebbdb7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020007 -RECORD_TITLE: (R)-(+)-2-Hydroxysuccinic acid, D-(+)-Malic acid, D-Hydroxybutanedioic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (R)-(+)-2-Hydroxysuccinic acid, D-(+)-Malic acid, D-Hydroxybutanedioic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:92824 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020108.txt index bb431e32253..7c0b9673de7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020108 -RECORD_TITLE: D-Mannopyranose, D-Seminose, D-(+)-Mannose,from wood, Man, Carubinose; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Mannopyranose, D-Seminose, D-(+)-Mannose,from wood, Man, Carubinose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:18950 CH$LINK: INCHIKEY WQZGKKKJIJFFOK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020207.txt index 6e0377d96de..8f581d5a423 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020207 -RECORD_TITLE: alpha-D-Glucopyranosyl-alpha-D-glucopyranoside dihydrate , D-(+)-Trehalose dihydrate,from Saccharomyces cerevisiae, alpha-alpha-Trehalose, Mycose, Glc(alpha1-1alpha)Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-Glucopyranosyl-alpha-D-glucopyranoside dihydrate , D-(+)-Trehalose dihydrate,from Saccharomyces cerevisiae, alpha-alpha-Trehalose, Mycose, Glc(alpha1-1alpha)Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:7427 CH$LINK: INCHIKEY HDTRYLNUVZCQOY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020208.txt index bac45db01fb..4f8e139d523 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020208 -RECORD_TITLE: alpha-D-Glucopyranosyl-alpha-D-glucopyranoside dihydrate , D-(+)-Trehalose dihydrate,from Saccharomyces cerevisiae, alpha-alpha-Trehalose, Mycose, Glc(alpha1-1alpha)Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-Glucopyranosyl-alpha-D-glucopyranoside dihydrate , D-(+)-Trehalose dihydrate,from Saccharomyces cerevisiae, alpha-alpha-Trehalose, Mycose, Glc(alpha1-1alpha)Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:7427 CH$LINK: INCHIKEY HDTRYLNUVZCQOY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020209.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020209.txt index 0e0d9af2ab9..1e7f1db4cd6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020209.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020209 -RECORD_TITLE: alpha-D-Glucopyranosyl-alpha-D-glucopyranoside dihydrate , D-(+)-Trehalose dihydrate,from Saccharomyces cerevisiae, alpha-alpha-Trehalose, Mycose, Glc(alpha1-1alpha)Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-Glucopyranosyl-alpha-D-glucopyranoside dihydrate , D-(+)-Trehalose dihydrate,from Saccharomyces cerevisiae, alpha-alpha-Trehalose, Mycose, Glc(alpha1-1alpha)Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:7427 CH$LINK: INCHIKEY HDTRYLNUVZCQOY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020301.txt index 5af28454716..19f38292b57 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020301 -RECORD_TITLE: DL-Dapm, DL-2,6-Diaminoheptanedioic acid, M-DAP, DL-alpha,epsilon-Diaminopimelic acid, DL-2,6-Diaminopimelate; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-Dapm, DL-2,6-Diaminoheptanedioic acid, M-DAP, DL-alpha,epsilon-Diaminopimelic acid, DL-2,6-Diaminopimelate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:99290 CH$LINK: INCHIKEY GMKMEZVLHJARHF-SYDPRGILSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020302.txt index 923783e9b8d..e0da26e6d42 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020302 -RECORD_TITLE: DL-Dapm, DL-2,6-Diaminoheptanedioic acid, M-DAP, DL-alpha,epsilon-Diaminopimelic acid, DL-2,6-Diaminopimelate; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-Dapm, DL-2,6-Diaminoheptanedioic acid, M-DAP, DL-alpha,epsilon-Diaminopimelic acid, DL-2,6-Diaminopimelate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:99290 CH$LINK: INCHIKEY GMKMEZVLHJARHF-SYDPRGILSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020303.txt index dfb266f91c8..5906a44495b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020303 -RECORD_TITLE: DL-Dapm, DL-2,6-Diaminoheptanedioic acid, M-DAP, DL-alpha,epsilon-Diaminopimelic acid, DL-2,6-Diaminopimelate; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-Dapm, DL-2,6-Diaminoheptanedioic acid, M-DAP, DL-alpha,epsilon-Diaminopimelic acid, DL-2,6-Diaminopimelate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:99290 CH$LINK: INCHIKEY GMKMEZVLHJARHF-SYDPRGILSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020304.txt index a8eaaa2df67..9e7317af4f3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020304 -RECORD_TITLE: DL-Dapm, DL-2,6-Diaminoheptanedioic acid, M-DAP, DL-alpha,epsilon-Diaminopimelic acid, DL-2,6-Diaminopimelate; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-Dapm, DL-2,6-Diaminoheptanedioic acid, M-DAP, DL-alpha,epsilon-Diaminopimelic acid, DL-2,6-Diaminopimelate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:99290 CH$LINK: INCHIKEY GMKMEZVLHJARHF-SYDPRGILSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020305.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020305.txt index 977c98446f7..b8cea9a233d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020305.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020305 -RECORD_TITLE: DL-Dapm, DL-2,6-Diaminoheptanedioic acid, M-DAP, DL-alpha,epsilon-Diaminopimelic acid, DL-2,6-Diaminopimelate; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-Dapm, DL-2,6-Diaminoheptanedioic acid, M-DAP, DL-alpha,epsilon-Diaminopimelic acid, DL-2,6-Diaminopimelate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:99290 CH$LINK: INCHIKEY GMKMEZVLHJARHF-SYDPRGILSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020401.txt index 03929a355e5..2f94b334aae 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020401 -RECORD_TITLE: Ara-5P, D-Arabinose-5-phosphate disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Ara-5P, D-Arabinose-5-phosphate disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:230 CH$LINK: INCHIKEY PPQRONHOSHZGFQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020407.txt index 93532aba6bc..53f19d2c82f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020407 -RECORD_TITLE: Ara-5P, D-Arabinose-5-phosphate disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Ara-5P, D-Arabinose-5-phosphate disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:230 CH$LINK: INCHIKEY PPQRONHOSHZGFQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020501.txt index 5118d477f5e..de95a3671a1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020501 -RECORD_TITLE: D-Vitamin BT, beta-Hydroxy-gamma-trimethylaminobutyric Acid Hydrochloride, D-Carnitine hydrochloride salt; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Vitamin BT, beta-Hydroxy-gamma-trimethylaminobutyric Acid Hydrochloride, D-Carnitine hydrochloride salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:2724480 CH$LINK: INCHIKEY PHIQHXFUZVPYII-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020502.txt index 499bb94d1dd..c9f1f5613db 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020502 -RECORD_TITLE: D-Vitamin BT, beta-Hydroxy-gamma-trimethylaminobutyric Acid Hydrochloride, D-Carnitine hydrochloride salt; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Vitamin BT, beta-Hydroxy-gamma-trimethylaminobutyric Acid Hydrochloride, D-Carnitine hydrochloride salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:2724480 CH$LINK: INCHIKEY PHIQHXFUZVPYII-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020503.txt index c8008380941..eb71f35890e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020503 -RECORD_TITLE: D-Vitamin BT, beta-Hydroxy-gamma-trimethylaminobutyric Acid Hydrochloride, D-Carnitine hydrochloride salt; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Vitamin BT, beta-Hydroxy-gamma-trimethylaminobutyric Acid Hydrochloride, D-Carnitine hydrochloride salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:2724480 CH$LINK: INCHIKEY PHIQHXFUZVPYII-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020504.txt index 1c3d0818587..e085cd2910f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020504 -RECORD_TITLE: D-Vitamin BT, beta-Hydroxy-gamma-trimethylaminobutyric Acid Hydrochloride, D-Carnitine hydrochloride salt; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Vitamin BT, beta-Hydroxy-gamma-trimethylaminobutyric Acid Hydrochloride, D-Carnitine hydrochloride salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:2724480 CH$LINK: INCHIKEY PHIQHXFUZVPYII-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020505.txt index 7a1db23197c..a1fe8b153be 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020505 -RECORD_TITLE: D-Vitamin BT, beta-Hydroxy-gamma-trimethylaminobutyric Acid Hydrochloride, D-Carnitine hydrochloride salt; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Vitamin BT, beta-Hydroxy-gamma-trimethylaminobutyric Acid Hydrochloride, D-Carnitine hydrochloride salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:2724480 CH$LINK: INCHIKEY PHIQHXFUZVPYII-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000503; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Quaternary ammonium salts AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020702.txt index eaedc1ea07b..fb16d67e1a3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020702 -RECORD_TITLE: D-Fructose-6-phosphate disodium salt hydrate , Fru-6P, F6P; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Fructose-6-phosphate disodium salt hydrate , Fru-6P, F6P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439160 CH$LINK: INCHIKEY BGWGXPAPYGQALX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020703.txt index 3074a65c015..759b8e685b8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020703 -RECORD_TITLE: D-Fructose-6-phosphate disodium salt hydrate , Fru-6P, F6P; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Fructose-6-phosphate disodium salt hydrate , Fru-6P, F6P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439160 CH$LINK: INCHIKEY BGWGXPAPYGQALX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020704.txt index e2332310059..7fe70748974 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020704 -RECORD_TITLE: D-Fructose-6-phosphate disodium salt hydrate , Fru-6P, F6P; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Fructose-6-phosphate disodium salt hydrate , Fru-6P, F6P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439160 CH$LINK: INCHIKEY BGWGXPAPYGQALX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020707.txt index 8b0e595bbad..df77a16a8ce 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020707 -RECORD_TITLE: D-Fructose-6-phosphate disodium salt hydrate , Fru-6P, F6P; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Fructose-6-phosphate disodium salt hydrate , Fru-6P, F6P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439160 CH$LINK: INCHIKEY BGWGXPAPYGQALX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020708.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020708.txt index 16cfb9d0cb4..f68f90c2a6e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020708.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020708 -RECORD_TITLE: D-Fructose-6-phosphate disodium salt hydrate , Fru-6P, F6P; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Fructose-6-phosphate disodium salt hydrate , Fru-6P, F6P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439160 CH$LINK: INCHIKEY BGWGXPAPYGQALX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020803.txt index 2c9e2e7fa04..5a8cd99f6b8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020803 -RECORD_TITLE: GDL, D-(+)-Gluconic acid delta-lactone, D-(+)-Glucono-1,5-lactone, 1,2,3,4,5-Pentahydroxycaproic Acid delta-Lactone, delta-Gluconolactone, D-(+)-Dextronic acid-delta-lactone; LC-ESI-QQ; MS2 +RECORD_TITLE: GDL, D-(+)-Gluconic acid delta-lactone, D-(+)-Glucono-1,5-lactone, 1,2,3,4,5-Pentahydroxycaproic Acid delta-Lactone, delta-Gluconolactone, D-(+)-Dextronic acid-delta-lactone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:7027 CH$LINK: INCHIKEY PHOQVHQSTUBQQK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020901.txt index 2b697b201ee..edac5381f84 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020901 -RECORD_TITLE: Robison ester, D(+)-Glucopyranose 6-phosphate sodium salt, G6P, Glc-6P, D-Glucose-6-phosphate sodium salt ; LC-ESI-QQ; MS2 +RECORD_TITLE: Robison ester, D(+)-Glucopyranose 6-phosphate sodium salt, G6P, Glc-6P, D-Glucose-6-phosphate sodium salt ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020902.txt index 370e51cb4a5..63d460690b2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020902 -RECORD_TITLE: Robison ester, D(+)-Glucopyranose 6-phosphate sodium salt, G6P, Glc-6P, D-Glucose-6-phosphate sodium salt ; LC-ESI-QQ; MS2 +RECORD_TITLE: Robison ester, D(+)-Glucopyranose 6-phosphate sodium salt, G6P, Glc-6P, D-Glucose-6-phosphate sodium salt ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020907.txt index 0f0d71e5173..f691c284d0e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020907 -RECORD_TITLE: Robison ester, D(+)-Glucopyranose 6-phosphate sodium salt, G6P, Glc-6P, D-Glucose-6-phosphate sodium salt ; LC-ESI-QQ; MS2 +RECORD_TITLE: Robison ester, D(+)-Glucopyranose 6-phosphate sodium salt, G6P, Glc-6P, D-Glucose-6-phosphate sodium salt ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020908.txt index 349dfed2fe9..f153390eeea 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020908 -RECORD_TITLE: Robison ester, D(+)-Glucopyranose 6-phosphate sodium salt, G6P, Glc-6P, D-Glucose-6-phosphate sodium salt ; LC-ESI-QQ; MS2 +RECORD_TITLE: Robison ester, D(+)-Glucopyranose 6-phosphate sodium salt, G6P, Glc-6P, D-Glucose-6-phosphate sodium salt ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020909.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020909.txt index 92f7fa4d3b2..a4abf2ea1a9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020909.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020909 -RECORD_TITLE: Robison ester, D(+)-Glucopyranose 6-phosphate sodium salt, G6P, Glc-6P, D-Glucose-6-phosphate sodium salt ; LC-ESI-QQ; MS2 +RECORD_TITLE: Robison ester, D(+)-Glucopyranose 6-phosphate sodium salt, G6P, Glc-6P, D-Glucose-6-phosphate sodium salt ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020910.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020910.txt index 4f06dfbdb4a..c6d55fe8b84 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020910.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS020910.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS020910 -RECORD_TITLE: Robison ester, D(+)-Glucopyranose 6-phosphate sodium salt, G6P, Glc-6P, D-Glucose-6-phosphate sodium salt ; LC-ESI-QQ; MS2 +RECORD_TITLE: Robison ester, D(+)-Glucopyranose 6-phosphate sodium salt, G6P, Glc-6P, D-Glucose-6-phosphate sodium salt ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5958 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021001.txt index db88f70d0c9..10ab8db26a0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS021001 -RECORD_TITLE: Diolamine, 2,2'-Iminodiethanol, 2,2'-Dihydroxydiethylamine, Diethanolamine, Bis(2-hydroxyethyl)amine, Diethylolamine, 2-(2-Hydroxyethylamino)ethanol; LC-ESI-QQ; MS2 +RECORD_TITLE: Diolamine, 2,2'-Iminodiethanol, 2,2'-Dihydroxydiethylamine, Diethanolamine, Bis(2-hydroxyethyl)amine, Diethylolamine, 2-(2-Hydroxyethylamino)ethanol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:8113 CH$LINK: INCHIKEY ZBCBWPMODOFKDW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021002.txt index 35d9171cc80..b0fc0899c73 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS021002 -RECORD_TITLE: Diolamine, 2,2'-Iminodiethanol, 2,2'-Dihydroxydiethylamine, Diethanolamine, Bis(2-hydroxyethyl)amine, Diethylolamine, 2-(2-Hydroxyethylamino)ethanol; LC-ESI-QQ; MS2 +RECORD_TITLE: Diolamine, 2,2'-Iminodiethanol, 2,2'-Dihydroxydiethylamine, Diethanolamine, Bis(2-hydroxyethyl)amine, Diethylolamine, 2-(2-Hydroxyethylamino)ethanol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:8113 CH$LINK: INCHIKEY ZBCBWPMODOFKDW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021003.txt index 9d6c4aed25b..db93d19ae68 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS021003 -RECORD_TITLE: Diolamine, 2,2'-Iminodiethanol, 2,2'-Dihydroxydiethylamine, Diethanolamine, Bis(2-hydroxyethyl)amine, Diethylolamine, 2-(2-Hydroxyethylamino)ethanol; LC-ESI-QQ; MS2 +RECORD_TITLE: Diolamine, 2,2'-Iminodiethanol, 2,2'-Dihydroxydiethylamine, Diethanolamine, Bis(2-hydroxyethyl)amine, Diethylolamine, 2-(2-Hydroxyethylamino)ethanol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:8113 CH$LINK: INCHIKEY ZBCBWPMODOFKDW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021101.txt index fe7c95ac792..f1aa907635d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS021101 -RECORD_TITLE: Hydrouracil, 5,6-Dihydro-2,4-dihydroxypyrimidine, Dihydrouracil, 2,4-Dioxotetrahydropyrimidine; LC-ESI-QQ; MS2 +RECORD_TITLE: Hydrouracil, 5,6-Dihydro-2,4-dihydroxypyrimidine, Dihydrouracil, 2,4-Dioxotetrahydropyrimidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:649 CH$LINK: INCHIKEY OIVLITBTBDPEFK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021102.txt index 6a779209ec8..75608ce9ce8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS021102 -RECORD_TITLE: Hydrouracil, 5,6-Dihydro-2,4-dihydroxypyrimidine, Dihydrouracil, 2,4-Dioxotetrahydropyrimidine; LC-ESI-QQ; MS2 +RECORD_TITLE: Hydrouracil, 5,6-Dihydro-2,4-dihydroxypyrimidine, Dihydrouracil, 2,4-Dioxotetrahydropyrimidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:649 CH$LINK: INCHIKEY OIVLITBTBDPEFK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021201.txt index d049780c756..e9c067baef4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS021201 -RECORD_TITLE: DL-2,3-Diaminopropionic acid monohydrochloride, DL-Dap, DL-3-Aminoalanine Hydrochloride, DL-2,3-Diaminopropionate; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-2,3-Diaminopropionic acid monohydrochloride, DL-Dap, DL-3-Aminoalanine Hydrochloride, DL-2,3-Diaminopropionate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:364 CH$LINK: INCHIKEY PECYZEOJVXMISF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021202.txt index 96c72319fb8..481f1ee5e26 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS021202 -RECORD_TITLE: DL-2,3-Diaminopropionic acid monohydrochloride, DL-Dap, DL-3-Aminoalanine Hydrochloride, DL-2,3-Diaminopropionate; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-2,3-Diaminopropionic acid monohydrochloride, DL-Dap, DL-3-Aminoalanine Hydrochloride, DL-2,3-Diaminopropionate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:364 CH$LINK: INCHIKEY PECYZEOJVXMISF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021401.txt index eb2fc38527f..92393ea4583 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS021401 -RECORD_TITLE: Thioctacid, Lip(S2), 1,2-Dithiolane-3-pentanoic acid, DL-6,8-Thioctic acid, DL-6,8-Dithiooctanoic acid, Tioctidasi, DL-1,2-Dithiolane 3-valeric acid, DL-1,2-Dithiolane-3-pentanoic acid, Biletan, Thioctsan, (+-)-alpha-Lipoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Thioctacid, Lip(S2), 1,2-Dithiolane-3-pentanoic acid, DL-6,8-Thioctic acid, DL-6,8-Dithiooctanoic acid, Tioctidasi, DL-1,2-Dithiolane 3-valeric acid, DL-1,2-Dithiolane-3-pentanoic acid, Biletan, Thioctsan, (+-)-alpha-Lipoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:864 CH$LINK: INCHIKEY AGBQKNBQESQNJD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001116; Organic compounds; Organoheterocyclic compounds; Dithiolanes; Lipoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021402.txt index 03c442aa413..0007c03d93a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS021402 -RECORD_TITLE: Thioctacid, Lip(S2), 1,2-Dithiolane-3-pentanoic acid, DL-6,8-Thioctic acid, DL-6,8-Dithiooctanoic acid, Tioctidasi, DL-1,2-Dithiolane 3-valeric acid, DL-1,2-Dithiolane-3-pentanoic acid, Biletan, Thioctsan, (+-)-alpha-Lipoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Thioctacid, Lip(S2), 1,2-Dithiolane-3-pentanoic acid, DL-6,8-Thioctic acid, DL-6,8-Dithiooctanoic acid, Tioctidasi, DL-1,2-Dithiolane 3-valeric acid, DL-1,2-Dithiolane-3-pentanoic acid, Biletan, Thioctsan, (+-)-alpha-Lipoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:864 CH$LINK: INCHIKEY AGBQKNBQESQNJD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001116; Organic compounds; Organoheterocyclic compounds; Dithiolanes; Lipoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021501.txt index b89a2952d38..cb8cfd756d8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS021501 -RECORD_TITLE: DL-6,8-Epidithiooctanamide, Thioctamide, DL-Thioctamide, (+/-)-alpha-Lipoamide, 1,2-Dithiolane-3-valeramide, DL-6,8-Thioctic acid amide; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-6,8-Epidithiooctanamide, Thioctamide, DL-Thioctamide, (+/-)-alpha-Lipoamide, 1,2-Dithiolane-3-valeramide, DL-6,8-Thioctic acid amide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:863 CH$LINK: INCHIKEY FCCDDURTIIUXBY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001154; Organic compounds; Organoheterocyclic compounds; Dithiolanes; Lipoamides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021502.txt index 664bc94fe12..bbc67c7c945 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS021502 -RECORD_TITLE: DL-6,8-Epidithiooctanamide, Thioctamide, DL-Thioctamide, (+/-)-alpha-Lipoamide, 1,2-Dithiolane-3-valeramide, DL-6,8-Thioctic acid amide; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-6,8-Epidithiooctanamide, Thioctamide, DL-Thioctamide, (+/-)-alpha-Lipoamide, 1,2-Dithiolane-3-valeramide, DL-6,8-Thioctic acid amide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:863 CH$LINK: INCHIKEY FCCDDURTIIUXBY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001154; Organic compounds; Organoheterocyclic compounds; Dithiolanes; Lipoamides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021601.txt index 04367905558..1ec86b4bd2e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS021601 -RECORD_TITLE: Dihydrolipoic acid, 6,8-Dimercaptooctanoic acid, Lipoic acid, reduced , DL-6,8-Thioctic acid, reduced, DHLA; LC-ESI-QQ; MS2 +RECORD_TITLE: Dihydrolipoic acid, 6,8-Dimercaptooctanoic acid, Lipoic acid, reduced , DL-6,8-Thioctic acid, reduced, DHLA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:421 CH$LINK: INCHIKEY IZFHEQBZOYJLPK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021707.txt index 7e9949385e4..4af35e1ed93 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS021707 -RECORD_TITLE: threo-DsLs-Isocitric acid trisodium salt, DL-isocitrate, DL-Isocitric acid trisodium salt, Trisodium hydrogen 3-carboxylato-2,3-dideoxy-1-hydroxypropane-1,2,3-tricarboxylate; LC-ESI-QQ; MS2 +RECORD_TITLE: threo-DsLs-Isocitric acid trisodium salt, DL-isocitrate, DL-Isocitric acid trisodium salt, Trisodium hydrogen 3-carboxylato-2,3-dideoxy-1-hydroxypropane-1,2,3-tricarboxylate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:1198 CH$LINK: INCHIKEY ODBLHEXUDAPZAU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021801.txt index 54e6af4f822..b3945787798 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS021801 -RECORD_TITLE: DL-threo-beta-Methylaspartic acid, 2-Amino-3-methylsuccinic acid, beta-methylaspartate; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-threo-beta-Methylaspartic acid, 2-Amino-3-methylsuccinic acid, beta-methylaspartate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:852 CH$LINK: INCHIKEY LXRUAYBIUSUULX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021802.txt index 6837279b953..da5e803f25e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS021802 -RECORD_TITLE: DL-threo-beta-Methylaspartic acid, 2-Amino-3-methylsuccinic acid, beta-methylaspartate; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-threo-beta-Methylaspartic acid, 2-Amino-3-methylsuccinic acid, beta-methylaspartate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:852 CH$LINK: INCHIKEY LXRUAYBIUSUULX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021901.txt index 6f81da7a3bc..4214e9be673 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS021901 -RECORD_TITLE: DL-alpha-Hydroxybutyric acid barium salt, DL-2-Hydroxybutyrate, (+/-)-2-Hydroxybutanoic acid barium salt, DL-2-Hydroxybutyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-alpha-Hydroxybutyric acid barium salt, DL-2-Hydroxybutyrate, (+/-)-2-Hydroxybutanoic acid barium salt, DL-2-Hydroxybutyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:440864 CH$LINK: INCHIKEY AFENDNXGAFYKQO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001359; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Alpha hydroxy acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021907.txt index 1923baba94f..66e4ec6ba79 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS021907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS021907 -RECORD_TITLE: DL-alpha-Hydroxybutyric acid barium salt, DL-2-Hydroxybutyrate, (+/-)-2-Hydroxybutanoic acid barium salt, DL-2-Hydroxybutyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-alpha-Hydroxybutyric acid barium salt, DL-2-Hydroxybutyrate, (+/-)-2-Hydroxybutanoic acid barium salt, DL-2-Hydroxybutyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:440864 CH$LINK: INCHIKEY AFENDNXGAFYKQO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001359; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Alpha hydroxy acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022001.txt index 9424af98c8c..52369925189 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS022001 -RECORD_TITLE: DL-beta-Hydroxybutyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-beta-Hydroxybutyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:441 CH$LINK: INCHIKEY WHBMMWSBFZVSSR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022101.txt index 1712b5fcee4..61071e8828b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS022101 -RECORD_TITLE: D-Mannose-6-phosphate barium salt hydrate, 6-phosphono-D-mannopyranose, Man-6P; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Mannose-6-phosphate barium salt hydrate, 6-phosphono-D-mannopyranose, Man-6P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:65127 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022107.txt index 4eba7c4ca88..e8c01e51260 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS022107 -RECORD_TITLE: D-Mannose-6-phosphate barium salt hydrate, 6-phosphono-D-mannopyranose, Man-6P; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Mannose-6-phosphate barium salt hydrate, 6-phosphono-D-mannopyranose, Man-6P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:65127 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022108.txt index 8f51ee1f548..67c245950c0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS022108 -RECORD_TITLE: D-Mannose-6-phosphate barium salt hydrate, 6-phosphono-D-mannopyranose, Man-6P; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Mannose-6-phosphate barium salt hydrate, 6-phosphono-D-mannopyranose, Man-6P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:65127 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022109.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022109.txt index 2dac488d85e..b9b0702d3cb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022109.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS022109 -RECORD_TITLE: D-Mannose-6-phosphate barium salt hydrate, 6-phosphono-D-mannopyranose, Man-6P; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Mannose-6-phosphate barium salt hydrate, 6-phosphono-D-mannopyranose, Man-6P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:65127 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022110.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022110.txt index 7fca0d82340..42c41b20175 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022110.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022110.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS022110 -RECORD_TITLE: D-Mannose-6-phosphate barium salt hydrate, 6-phosphono-D-mannopyranose, Man-6P; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Mannose-6-phosphate barium salt hydrate, 6-phosphono-D-mannopyranose, Man-6P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:65127 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022111.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022111.txt index 4b281c9068d..070c2721f78 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022111.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022111.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS022111 -RECORD_TITLE: D-Mannose-6-phosphate barium salt hydrate, 6-phosphono-D-mannopyranose, Man-6P; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Mannose-6-phosphate barium salt hydrate, 6-phosphono-D-mannopyranose, Man-6P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:65127 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022112.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022112.txt index df1e3b9b656..c7e242aa342 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022112.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022112.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS022112 -RECORD_TITLE: D-Mannose-6-phosphate barium salt hydrate, 6-phosphono-D-mannopyranose, Man-6P; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Mannose-6-phosphate barium salt hydrate, 6-phosphono-D-mannopyranose, Man-6P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:65127 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022302.txt index 6f55721f30d..0ae08818740 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS022302 -RECORD_TITLE: R-5-P, Rib-5P, D-Ribofuranose 5-phosphate disodium salt, D-Ribose-5-phosphate disodium salt hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: R-5-P, Rib-5P, D-Ribofuranose 5-phosphate disodium salt, D-Ribose-5-phosphate disodium salt hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439167 CH$LINK: INCHIKEY KTVPXOYAKDPRHY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022303.txt index b7c9a59b929..a8c73f52da9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS022303 -RECORD_TITLE: R-5-P, Rib-5P, D-Ribofuranose 5-phosphate disodium salt, D-Ribose-5-phosphate disodium salt hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: R-5-P, Rib-5P, D-Ribofuranose 5-phosphate disodium salt, D-Ribose-5-phosphate disodium salt hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439167 CH$LINK: INCHIKEY KTVPXOYAKDPRHY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022307.txt index 8fe958a63ff..0437b5d24dd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS022307 -RECORD_TITLE: R-5-P, Rib-5P, D-Ribofuranose 5-phosphate disodium salt, D-Ribose-5-phosphate disodium salt hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: R-5-P, Rib-5P, D-Ribofuranose 5-phosphate disodium salt, D-Ribose-5-phosphate disodium salt hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439167 CH$LINK: INCHIKEY KTVPXOYAKDPRHY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022501.txt index 445da1bae1e..d2b2639dd4d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS022501 -RECORD_TITLE: D-threo-Pentulose, Xul, D-Xylulose, D-Lyxulose; LC-ESI-QQ; MS2 +RECORD_TITLE: D-threo-Pentulose, Xul, D-Xylulose, D-Lyxulose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439204 CH$LINK: INCHIKEY LQXVFWRQNMEDEE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022502.txt index ec567f1876b..6d0a7df73a8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS022502 -RECORD_TITLE: D-threo-Pentulose, Xul, D-Xylulose, D-Lyxulose; LC-ESI-QQ; MS2 +RECORD_TITLE: D-threo-Pentulose, Xul, D-Xylulose, D-Lyxulose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439204 CH$LINK: INCHIKEY LQXVFWRQNMEDEE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022503.txt index 3aa42d7fd60..009a1eb31c8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS022503 -RECORD_TITLE: D-threo-Pentulose, Xul, D-Xylulose, D-Lyxulose; LC-ESI-QQ; MS2 +RECORD_TITLE: D-threo-Pentulose, Xul, D-Xylulose, D-Lyxulose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439204 CH$LINK: INCHIKEY LQXVFWRQNMEDEE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022801.txt index b96e601c10e..b074675861f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS022801 -RECORD_TITLE: 1-Hydroxyethane-1,1-diphosphonic Acid, 1-Hydroxyethylidenediphosphonic acid, Turpinal SL, HEDP, HEDPA, Etidronic acid, EHDP, 1,1,1-Ethanetriol diphosphonate; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Hydroxyethane-1,1-diphosphonic Acid, 1-Hydroxyethylidenediphosphonic acid, Turpinal SL, HEDP, HEDPA, Etidronic acid, EHDP, 1,1,1-Ethanetriol diphosphonate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:3305 CH$LINK: INCHIKEY DBVJJBKOTRCVKF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000327; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022802.txt index 4319bd2a6f4..2725f5c0e03 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS022802 -RECORD_TITLE: 1-Hydroxyethane-1,1-diphosphonic Acid, 1-Hydroxyethylidenediphosphonic acid, Turpinal SL, HEDP, HEDPA, Etidronic acid, EHDP, 1,1,1-Ethanetriol diphosphonate; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Hydroxyethane-1,1-diphosphonic Acid, 1-Hydroxyethylidenediphosphonic acid, Turpinal SL, HEDP, HEDPA, Etidronic acid, EHDP, 1,1,1-Ethanetriol diphosphonate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:3305 CH$LINK: INCHIKEY DBVJJBKOTRCVKF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000327; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022803.txt index 5e3a2692468..b57e9036df3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS022803 -RECORD_TITLE: 1-Hydroxyethane-1,1-diphosphonic Acid, 1-Hydroxyethylidenediphosphonic acid, Turpinal SL, HEDP, HEDPA, Etidronic acid, EHDP, 1,1,1-Ethanetriol diphosphonate; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Hydroxyethane-1,1-diphosphonic Acid, 1-Hydroxyethylidenediphosphonic acid, Turpinal SL, HEDP, HEDPA, Etidronic acid, EHDP, 1,1,1-Ethanetriol diphosphonate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:3305 CH$LINK: INCHIKEY DBVJJBKOTRCVKF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000327; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022807.txt index b4ebb721160..6abfb955db4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS022807 -RECORD_TITLE: 1-Hydroxyethane-1,1-diphosphonic Acid, 1-Hydroxyethylidenediphosphonic acid, Turpinal SL, HEDP, HEDPA, Etidronic acid, EHDP, 1,1,1-Ethanetriol diphosphonate; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Hydroxyethane-1,1-diphosphonic Acid, 1-Hydroxyethylidenediphosphonic acid, Turpinal SL, HEDP, HEDPA, Etidronic acid, EHDP, 1,1,1-Ethanetriol diphosphonate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:3305 CH$LINK: INCHIKEY DBVJJBKOTRCVKF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000327; Organic compounds; Organic acids and derivatives; Organic phosphonic acids and derivatives; Bisphosphonates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022901.txt index dfc76bad26f..1bb2d823514 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS022901 -RECORD_TITLE: Riboflavin-5'-monophosphate sodium salt hydrate , FMN, Flavin mononucleotide; LC-ESI-QQ; MS2 +RECORD_TITLE: Riboflavin-5'-monophosphate sodium salt hydrate , FMN, Flavin mononucleotide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:710 CH$LINK: INCHIKEY FVTCRASFADXXNN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001329; Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022902.txt index cd4ead17b05..2e8f3c59f94 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS022902 -RECORD_TITLE: Riboflavin-5'-monophosphate sodium salt hydrate , FMN, Flavin mononucleotide; LC-ESI-QQ; MS2 +RECORD_TITLE: Riboflavin-5'-monophosphate sodium salt hydrate , FMN, Flavin mononucleotide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:710 CH$LINK: INCHIKEY FVTCRASFADXXNN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001329; Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022907.txt index bc241a1191d..09c3f1ce1e3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS022907 -RECORD_TITLE: Riboflavin-5'-monophosphate sodium salt hydrate , FMN, Flavin mononucleotide; LC-ESI-QQ; MS2 +RECORD_TITLE: Riboflavin-5'-monophosphate sodium salt hydrate , FMN, Flavin mononucleotide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:710 CH$LINK: INCHIKEY FVTCRASFADXXNN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001329; Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022908.txt index a9efceb510d..89e71481cf1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS022908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS022908 -RECORD_TITLE: Riboflavin-5'-monophosphate sodium salt hydrate , FMN, Flavin mononucleotide; LC-ESI-QQ; MS2 +RECORD_TITLE: Riboflavin-5'-monophosphate sodium salt hydrate , FMN, Flavin mononucleotide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:710 CH$LINK: INCHIKEY FVTCRASFADXXNN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001329; Organic compounds; Nucleosides, nucleotides, and analogues; Flavin nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023201.txt index d8ca8099628..1b1c1cd7d2c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023201 -RECORD_TITLE: Fusarate, 5-butylpyridine-3-carboxylic acid, Fusaric acid, 5-Butylpicolinic acid, Fusarinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Fusarate, 5-butylpyridine-3-carboxylic acid, Fusaric acid, 5-Butylpicolinic acid, Fusarinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:3442 CH$LINK: INCHIKEY DGMPVYSXXIOGJY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023202.txt index db07cdd0647..861bb0d61fa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023202 -RECORD_TITLE: Fusarate, 5-butylpyridine-3-carboxylic acid, Fusaric acid, 5-Butylpicolinic acid, Fusarinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Fusarate, 5-butylpyridine-3-carboxylic acid, Fusaric acid, 5-Butylpicolinic acid, Fusarinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:3442 CH$LINK: INCHIKEY DGMPVYSXXIOGJY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023203.txt index 0bd71769c5f..f0674920974 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023203 -RECORD_TITLE: Fusarate, 5-butylpyridine-3-carboxylic acid, Fusaric acid, 5-Butylpicolinic acid, Fusarinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Fusarate, 5-butylpyridine-3-carboxylic acid, Fusaric acid, 5-Butylpicolinic acid, Fusarinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:3442 CH$LINK: INCHIKEY DGMPVYSXXIOGJY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023204.txt index ff350c1f4ac..b25435c6edb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023204 -RECORD_TITLE: Fusarate, 5-butylpyridine-3-carboxylic acid, Fusaric acid, 5-Butylpicolinic acid, Fusarinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Fusarate, 5-butylpyridine-3-carboxylic acid, Fusaric acid, 5-Butylpicolinic acid, Fusarinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:3442 CH$LINK: INCHIKEY DGMPVYSXXIOGJY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023205.txt index 740d7fdd401..9a2643ae1d6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023205 -RECORD_TITLE: Fusarate, 5-butylpyridine-3-carboxylic acid, Fusaric acid, 5-Butylpicolinic acid, Fusarinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Fusarate, 5-butylpyridine-3-carboxylic acid, Fusaric acid, 5-Butylpicolinic acid, Fusarinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:3442 CH$LINK: INCHIKEY DGMPVYSXXIOGJY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023206.txt index e247806d616..ef610b30a36 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023206 -RECORD_TITLE: Fusarate, 5-butylpyridine-3-carboxylic acid, Fusaric acid, 5-Butylpicolinic acid, Fusarinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Fusarate, 5-butylpyridine-3-carboxylic acid, Fusaric acid, 5-Butylpicolinic acid, Fusarinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:3442 CH$LINK: INCHIKEY DGMPVYSXXIOGJY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023307.txt index 939e6225947..5d8633e92b0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023307 -RECORD_TITLE: Gibberellin A4, Gibbane-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,2beta,4aalpha,4bbeta,10beta)-, Gibberellic acid A4; LC-ESI-QQ; MS2 +RECORD_TITLE: Gibberellin A4, Gibbane-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,2beta,4aalpha,4bbeta,10beta)-, Gibberellic acid A4; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:443457 CH$LINK: INCHIKEY RSQSQJNRHICNNH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023308.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023308.txt index d27faade151..b407f387bfa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023308.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023308.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023308 -RECORD_TITLE: Gibberellin A4, Gibbane-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,2beta,4aalpha,4bbeta,10beta)-, Gibberellic acid A4; LC-ESI-QQ; MS2 +RECORD_TITLE: Gibberellin A4, Gibbane-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,2beta,4aalpha,4bbeta,10beta)-, Gibberellic acid A4; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:443457 CH$LINK: INCHIKEY RSQSQJNRHICNNH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023309.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023309.txt index bf054d0cc2c..af263faea02 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023309.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023309.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023309 -RECORD_TITLE: Gibberellin A4, Gibbane-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,2beta,4aalpha,4bbeta,10beta)-, Gibberellic acid A4; LC-ESI-QQ; MS2 +RECORD_TITLE: Gibberellin A4, Gibbane-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,2beta,4aalpha,4bbeta,10beta)-, Gibberellic acid A4; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:443457 CH$LINK: INCHIKEY RSQSQJNRHICNNH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023311.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023311.txt index f90e36b2c38..b7c5b621b29 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023311.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023311.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023311 -RECORD_TITLE: Gibberellin A4, Gibbane-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,2beta,4aalpha,4bbeta,10beta)-, Gibberellic acid A4; LC-ESI-QQ; MS2 +RECORD_TITLE: Gibberellin A4, Gibbane-1,10-dicarboxylic acid, 2,4a-dihydroxy-1-methyl-8-methylene-, 1,4a-lactone, (1alpha,2beta,4aalpha,4bbeta,10beta)-, Gibberellic acid A4; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:443457 CH$LINK: INCHIKEY RSQSQJNRHICNNH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023401.txt index 874f47c2600..cbfa4917ba8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023401 -RECORD_TITLE: 1,5-Pentanedioic acid, Dicarboxylic Acid C5, Glutamic Acid, Glutaric acid, 1,3-Propanedicarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,5-Pentanedioic acid, Dicarboxylic Acid C5, Glutamic Acid, Glutaric acid, 1,3-Propanedicarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:743 CH$LINK: INCHIKEY JFCQEDHGNNZCLN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023402.txt index 92d2ee7dfbf..7643e4ed46e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023402 -RECORD_TITLE: 1,5-Pentanedioic acid, Dicarboxylic Acid C5, Glutamic Acid, Glutaric acid, 1,3-Propanedicarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,5-Pentanedioic acid, Dicarboxylic Acid C5, Glutamic Acid, Glutaric acid, 1,3-Propanedicarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:743 CH$LINK: INCHIKEY JFCQEDHGNNZCLN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023407.txt index 1b546f06074..adbccd8a5b3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023407 -RECORD_TITLE: 1,5-Pentanedioic acid, Dicarboxylic Acid C5, Glutamic Acid, Glutaric acid, 1,3-Propanedicarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,5-Pentanedioic acid, Dicarboxylic Acid C5, Glutamic Acid, Glutaric acid, 1,3-Propanedicarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:743 CH$LINK: INCHIKEY JFCQEDHGNNZCLN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023501.txt index add8b71b382..4cc1718b7aa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023501 -RECORD_TITLE: (gamma-Glu-Cys-Gly) (gamma-Glu-Cys-Gly)(Disulfide bridge 2a-2b), Glutathione Disulfide, GSSG, Oxigluthione, Glutathiol, Glutathione (oxidized form); LC-ESI-QQ; MS2 +RECORD_TITLE: (gamma-Glu-Cys-Gly) (gamma-Glu-Cys-Gly)(Disulfide bridge 2a-2b), Glutathione Disulfide, GSSG, Oxigluthione, Glutathiol, Glutathione (oxidized form); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:65359 CH$LINK: INCHIKEY YPZRWBKMTBYPTK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023502.txt index 09c43dc2fd5..cd0308fd4bb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023502 -RECORD_TITLE: (gamma-Glu-Cys-Gly) (gamma-Glu-Cys-Gly)(Disulfide bridge 2a-2b), Glutathione Disulfide, GSSG, Oxigluthione, Glutathiol, Glutathione (oxidized form); LC-ESI-QQ; MS2 +RECORD_TITLE: (gamma-Glu-Cys-Gly) (gamma-Glu-Cys-Gly)(Disulfide bridge 2a-2b), Glutathione Disulfide, GSSG, Oxigluthione, Glutathiol, Glutathione (oxidized form); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:65359 CH$LINK: INCHIKEY YPZRWBKMTBYPTK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023503.txt index 7b787f0fceb..ef690aa5aed 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023503 -RECORD_TITLE: (gamma-Glu-Cys-Gly) (gamma-Glu-Cys-Gly)(Disulfide bridge 2a-2b), Glutathione Disulfide, GSSG, Oxigluthione, Glutathiol, Glutathione (oxidized form); LC-ESI-QQ; MS2 +RECORD_TITLE: (gamma-Glu-Cys-Gly) (gamma-Glu-Cys-Gly)(Disulfide bridge 2a-2b), Glutathione Disulfide, GSSG, Oxigluthione, Glutathiol, Glutathione (oxidized form); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:65359 CH$LINK: INCHIKEY YPZRWBKMTBYPTK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023505.txt index 947cfd8080c..447e6e07838 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023505 -RECORD_TITLE: (gamma-Glu-Cys-Gly) (gamma-Glu-Cys-Gly)(Disulfide bridge 2a-2b), Glutathione Disulfide, GSSG, Oxigluthione, Glutathiol, Glutathione (oxidized form); LC-ESI-QQ; MS2 +RECORD_TITLE: (gamma-Glu-Cys-Gly) (gamma-Glu-Cys-Gly)(Disulfide bridge 2a-2b), Glutathione Disulfide, GSSG, Oxigluthione, Glutathiol, Glutathione (oxidized form); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:65359 CH$LINK: INCHIKEY YPZRWBKMTBYPTK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023507.txt index b70949a27d0..ba87bccf3ca 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023507 -RECORD_TITLE: (gamma-Glu-Cys-Gly) (gamma-Glu-Cys-Gly)(Disulfide bridge 2a-2b), Glutathione Disulfide, GSSG, Oxigluthione, Glutathiol, Glutathione (oxidized form); LC-ESI-QQ; MS2 +RECORD_TITLE: (gamma-Glu-Cys-Gly) (gamma-Glu-Cys-Gly)(Disulfide bridge 2a-2b), Glutathione Disulfide, GSSG, Oxigluthione, Glutathiol, Glutathione (oxidized form); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:65359 CH$LINK: INCHIKEY YPZRWBKMTBYPTK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023508.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023508.txt index 79afdce1afd..8d5d4ce52db 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023508.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023508 -RECORD_TITLE: (gamma-Glu-Cys-Gly) (gamma-Glu-Cys-Gly)(Disulfide bridge 2a-2b), Glutathione Disulfide, GSSG, Oxigluthione, Glutathiol, Glutathione (oxidized form); LC-ESI-QQ; MS2 +RECORD_TITLE: (gamma-Glu-Cys-Gly) (gamma-Glu-Cys-Gly)(Disulfide bridge 2a-2b), Glutathione Disulfide, GSSG, Oxigluthione, Glutathiol, Glutathione (oxidized form); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:65359 CH$LINK: INCHIKEY YPZRWBKMTBYPTK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023509.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023509.txt index 49fd7d0cfa8..c028df7333b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023509.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023509.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023509 -RECORD_TITLE: (gamma-Glu-Cys-Gly) (gamma-Glu-Cys-Gly)(Disulfide bridge 2a-2b), Glutathione Disulfide, GSSG, Oxigluthione, Glutathiol, Glutathione (oxidized form); LC-ESI-QQ; MS2 +RECORD_TITLE: (gamma-Glu-Cys-Gly) (gamma-Glu-Cys-Gly)(Disulfide bridge 2a-2b), Glutathione Disulfide, GSSG, Oxigluthione, Glutathiol, Glutathione (oxidized form); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:65359 CH$LINK: INCHIKEY YPZRWBKMTBYPTK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023510.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023510.txt index 9293b12a560..ccc5b803554 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023510.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023510.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023510 -RECORD_TITLE: (gamma-Glu-Cys-Gly) (gamma-Glu-Cys-Gly)(Disulfide bridge 2a-2b), Glutathione Disulfide, GSSG, Oxigluthione, Glutathiol, Glutathione (oxidized form); LC-ESI-QQ; MS2 +RECORD_TITLE: (gamma-Glu-Cys-Gly) (gamma-Glu-Cys-Gly)(Disulfide bridge 2a-2b), Glutathione Disulfide, GSSG, Oxigluthione, Glutathiol, Glutathione (oxidized form); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:65359 CH$LINK: INCHIKEY YPZRWBKMTBYPTK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023512.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023512.txt index f846664db2f..5df14ad4c61 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023512.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023512.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023512 -RECORD_TITLE: (gamma-Glu-Cys-Gly) (gamma-Glu-Cys-Gly)(Disulfide bridge 2a-2b), Glutathione Disulfide, GSSG, Oxigluthione, Glutathiol, Glutathione (oxidized form); LC-ESI-QQ; MS2 +RECORD_TITLE: (gamma-Glu-Cys-Gly) (gamma-Glu-Cys-Gly)(Disulfide bridge 2a-2b), Glutathione Disulfide, GSSG, Oxigluthione, Glutathiol, Glutathione (oxidized form); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:65359 CH$LINK: INCHIKEY YPZRWBKMTBYPTK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023607.txt index 638223e1675..c2983374c36 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023607 -RECORD_TITLE: Hydroxyacetic acid, Hydroxyethanoic acid, Glycolate, Glycolic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Hydroxyacetic acid, Hydroxyethanoic acid, Glycolate, Glycolic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:757 CH$LINK: INCHIKEY AEMRFAOFKBGASW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001359; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Alpha hydroxy acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023701.txt index 37bcd76dbc7..3a216aa71a5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023701 -RECORD_TITLE: Glycylglycine, Gly-Gly, 2-(Aminoacetamido)acetic Acid, Glycine dipeptide, Diglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycylglycine, Gly-Gly, 2-(Aminoacetamido)acetic Acid, Glycine dipeptide, Diglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:11163 CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023702.txt index 5059b3e5072..c4d9abceaa8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023702 -RECORD_TITLE: Glycylglycine, Gly-Gly, 2-(Aminoacetamido)acetic Acid, Glycine dipeptide, Diglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycylglycine, Gly-Gly, 2-(Aminoacetamido)acetic Acid, Glycine dipeptide, Diglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:11163 CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023703.txt index c641de1bce7..08633deffae 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023703 -RECORD_TITLE: Glycylglycine, Gly-Gly, 2-(Aminoacetamido)acetic Acid, Glycine dipeptide, Diglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycylglycine, Gly-Gly, 2-(Aminoacetamido)acetic Acid, Glycine dipeptide, Diglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:11163 CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023704.txt index 980ec5ac341..3714ab1a2b6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023704 -RECORD_TITLE: Glycylglycine, Gly-Gly, 2-(Aminoacetamido)acetic Acid, Glycine dipeptide, Diglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycylglycine, Gly-Gly, 2-(Aminoacetamido)acetic Acid, Glycine dipeptide, Diglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:11163 CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023705.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023705.txt index eed5dc67a9c..d497c754d38 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023705.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023705 -RECORD_TITLE: Glycylglycine, Gly-Gly, 2-(Aminoacetamido)acetic Acid, Glycine dipeptide, Diglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycylglycine, Gly-Gly, 2-(Aminoacetamido)acetic Acid, Glycine dipeptide, Diglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:11163 CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023707.txt index 9d4b25a8af7..057a161c5f2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023707 -RECORD_TITLE: Glycylglycine, Gly-Gly, 2-(Aminoacetamido)acetic Acid, Glycine dipeptide, Diglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycylglycine, Gly-Gly, 2-(Aminoacetamido)acetic Acid, Glycine dipeptide, Diglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:11163 CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023801.txt index bc4ac753fd3..22bd9b40fe4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023801 -RECORD_TITLE: Glycyrrhizic acid ammonium salt, Glycyrrhizin, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid ammonium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycyrrhizic acid ammonium salt, Glycyrrhizin, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid ammonium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:14982 CH$LINK: INCHIKEY LPLVUJXQOOQHMX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023802.txt index fba183c1136..ff2b335c07c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023802 -RECORD_TITLE: Glycyrrhizic acid ammonium salt, Glycyrrhizin, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid ammonium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycyrrhizic acid ammonium salt, Glycyrrhizin, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid ammonium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:14982 CH$LINK: INCHIKEY LPLVUJXQOOQHMX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023803.txt index 44ef4b86d1d..ec9f06ce84d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023803 -RECORD_TITLE: Glycyrrhizic acid ammonium salt, Glycyrrhizin, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid ammonium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycyrrhizic acid ammonium salt, Glycyrrhizin, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid ammonium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:14982 CH$LINK: INCHIKEY LPLVUJXQOOQHMX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023804.txt index 2c50a048641..852fa709217 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023804 -RECORD_TITLE: Glycyrrhizic acid ammonium salt, Glycyrrhizin, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid ammonium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycyrrhizic acid ammonium salt, Glycyrrhizin, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid ammonium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:14982 CH$LINK: INCHIKEY LPLVUJXQOOQHMX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023805.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023805.txt index 5e29adb1bec..4fe5611b8a2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023805.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023805 -RECORD_TITLE: Glycyrrhizic acid ammonium salt, Glycyrrhizin, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid ammonium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycyrrhizic acid ammonium salt, Glycyrrhizin, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid ammonium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:14982 CH$LINK: INCHIKEY LPLVUJXQOOQHMX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023806.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023806.txt index f4ee353b0ba..f8b8627ff47 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023806.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023806.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023806 -RECORD_TITLE: Glycyrrhizic acid ammonium salt, Glycyrrhizin, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid ammonium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycyrrhizic acid ammonium salt, Glycyrrhizin, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid ammonium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:14982 CH$LINK: INCHIKEY LPLVUJXQOOQHMX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023807.txt index 7a9880ce79c..8e273f3cf08 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023807 -RECORD_TITLE: Glycyrrhizic acid ammonium salt, Glycyrrhizin, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid ammonium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycyrrhizic acid ammonium salt, Glycyrrhizin, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid ammonium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:14982 CH$LINK: INCHIKEY LPLVUJXQOOQHMX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023808.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023808.txt index af94dd1204d..204bdecff57 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023808.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023808 -RECORD_TITLE: Glycyrrhizic acid ammonium salt, Glycyrrhizin, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid ammonium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycyrrhizic acid ammonium salt, Glycyrrhizin, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid ammonium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:14982 CH$LINK: INCHIKEY LPLVUJXQOOQHMX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023809.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023809.txt index 1333b7fe4f9..b19a86e080b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023809.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023809.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023809 -RECORD_TITLE: Glycyrrhizic acid ammonium salt, Glycyrrhizin, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid ammonium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycyrrhizic acid ammonium salt, Glycyrrhizin, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid ammonium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:14982 CH$LINK: INCHIKEY LPLVUJXQOOQHMX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023810.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023810.txt index 9dd49c91967..6b36ebb563c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023810.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023810.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023810 -RECORD_TITLE: Glycyrrhizic acid ammonium salt, Glycyrrhizin, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid ammonium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycyrrhizic acid ammonium salt, Glycyrrhizin, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid ammonium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:14982 CH$LINK: INCHIKEY LPLVUJXQOOQHMX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023811.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023811.txt index 33d9d032d77..16387785a16 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023811.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023811.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023811 -RECORD_TITLE: Glycyrrhizic acid ammonium salt, Glycyrrhizin, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid ammonium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycyrrhizic acid ammonium salt, Glycyrrhizin, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid ammonium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:14982 CH$LINK: INCHIKEY LPLVUJXQOOQHMX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023812.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023812.txt index cf5170ad754..d9c4850766b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023812.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS023812.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS023812 -RECORD_TITLE: Glycyrrhizic acid ammonium salt, Glycyrrhizin, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid ammonium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycyrrhizic acid ammonium salt, Glycyrrhizin, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid ammonium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:14982 CH$LINK: INCHIKEY LPLVUJXQOOQHMX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024001.txt index 4fa824eab39..ea9c847e5e7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024001 -RECORD_TITLE: 6-Hydroxy-2-aminopurine, 2-Amino-6-hydroxypurine, Guanine, 2-Aminohypoxanthine, 2-Amino-6-oxypurine, Guanine enol; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-Hydroxy-2-aminopurine, 2-Amino-6-hydroxypurine, Guanine, 2-Aminohypoxanthine, 2-Amino-6-oxypurine, Guanine enol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: KEGG C00242 CH$LINK: PUBCHEM CID:135398634 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024002.txt index 92c52561556..ab9e9fc40b9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024002 -RECORD_TITLE: 6-Hydroxy-2-aminopurine, 2-Amino-6-hydroxypurine, Guanine, 2-Aminohypoxanthine, 2-Amino-6-oxypurine, Guanine enol; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-Hydroxy-2-aminopurine, 2-Amino-6-hydroxypurine, Guanine, 2-Aminohypoxanthine, 2-Amino-6-oxypurine, Guanine enol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: KEGG C00242 CH$LINK: PUBCHEM CID:135398634 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024007.txt index a6ad1af3872..aad3e792ac0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024007 -RECORD_TITLE: 6-Hydroxy-2-aminopurine, 2-Amino-6-hydroxypurine, Guanine, 2-Aminohypoxanthine, 2-Amino-6-oxypurine, Guanine enol; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-Hydroxy-2-aminopurine, 2-Amino-6-hydroxypurine, Guanine, 2-Aminohypoxanthine, 2-Amino-6-oxypurine, Guanine enol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: KEGG C00242 CH$LINK: PUBCHEM CID:135398634 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024101.txt index cb94254ec6f..6fb0f5b79a5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024101 -RECORD_TITLE: 9-(beta-D-Ribofuranosyl)guanine, Guanine Riboside, GR, Vernine, Guanidine, Guanosine, Guanine-9-beta-D-ribofuranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 9-(beta-D-Ribofuranosyl)guanine, Guanine Riboside, GR, Vernine, Guanidine, Guanosine, Guanine-9-beta-D-ribofuranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:6802 CH$LINK: INCHIKEY NYHBQMYGNKIUIF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024102.txt index ef11d15cfb3..f20d922b4bc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024102 -RECORD_TITLE: 9-(beta-D-Ribofuranosyl)guanine, Guanine Riboside, GR, Vernine, Guanidine, Guanosine, Guanine-9-beta-D-ribofuranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 9-(beta-D-Ribofuranosyl)guanine, Guanine Riboside, GR, Vernine, Guanidine, Guanosine, Guanine-9-beta-D-ribofuranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:6802 CH$LINK: INCHIKEY NYHBQMYGNKIUIF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024103.txt index 4cca35d5ea4..92be279162f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024103 -RECORD_TITLE: 9-(beta-D-Ribofuranosyl)guanine, Guanine Riboside, GR, Vernine, Guanidine, Guanosine, Guanine-9-beta-D-ribofuranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 9-(beta-D-Ribofuranosyl)guanine, Guanine Riboside, GR, Vernine, Guanidine, Guanosine, Guanine-9-beta-D-ribofuranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:6802 CH$LINK: INCHIKEY NYHBQMYGNKIUIF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024104.txt index 75742dfb196..204a07bbdf5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024104 -RECORD_TITLE: 9-(beta-D-Ribofuranosyl)guanine, Guanine Riboside, GR, Vernine, Guanidine, Guanosine, Guanine-9-beta-D-ribofuranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 9-(beta-D-Ribofuranosyl)guanine, Guanine Riboside, GR, Vernine, Guanidine, Guanosine, Guanine-9-beta-D-ribofuranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:6802 CH$LINK: INCHIKEY NYHBQMYGNKIUIF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024105.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024105.txt index d1dae497a77..a6c733cb7cc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024105.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024105 -RECORD_TITLE: 9-(beta-D-Ribofuranosyl)guanine, Guanine Riboside, GR, Vernine, Guanidine, Guanosine, Guanine-9-beta-D-ribofuranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 9-(beta-D-Ribofuranosyl)guanine, Guanine Riboside, GR, Vernine, Guanidine, Guanosine, Guanine-9-beta-D-ribofuranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:6802 CH$LINK: INCHIKEY NYHBQMYGNKIUIF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024106.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024106.txt index f99f537f6e3..9d24472aa0b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024106.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024106 -RECORD_TITLE: 9-(beta-D-Ribofuranosyl)guanine, Guanine Riboside, GR, Vernine, Guanidine, Guanosine, Guanine-9-beta-D-ribofuranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 9-(beta-D-Ribofuranosyl)guanine, Guanine Riboside, GR, Vernine, Guanidine, Guanosine, Guanine-9-beta-D-ribofuranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:6802 CH$LINK: INCHIKEY NYHBQMYGNKIUIF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024201.txt index 92de5846b32..d77ec6baafd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024201 -RECORD_TITLE: Guanosine-3',5'-cyclic monophosphate, cGMP, cyclic GMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-3',5'-cyclic monophosphate, cGMP, cyclic GMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:24316 CH$LINK: INCHIKEY ZOOGRGPOEVQQDX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001491; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024202.txt index fa2f36c2cdc..ebf9e29d8ce 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024202 -RECORD_TITLE: Guanosine-3',5'-cyclic monophosphate, cGMP, cyclic GMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-3',5'-cyclic monophosphate, cGMP, cyclic GMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:24316 CH$LINK: INCHIKEY ZOOGRGPOEVQQDX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001491; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024203.txt index 566d8e403d9..4da6ff90196 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024203 -RECORD_TITLE: Guanosine-3',5'-cyclic monophosphate, cGMP, cyclic GMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-3',5'-cyclic monophosphate, cGMP, cyclic GMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:24316 CH$LINK: INCHIKEY ZOOGRGPOEVQQDX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001491; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024204.txt index e686c9678bd..22460800669 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024204 -RECORD_TITLE: Guanosine-3',5'-cyclic monophosphate, cGMP, cyclic GMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-3',5'-cyclic monophosphate, cGMP, cyclic GMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:24316 CH$LINK: INCHIKEY ZOOGRGPOEVQQDX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001491; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024205.txt index 03dd04b5d55..726c384fd96 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024205 -RECORD_TITLE: Guanosine-3',5'-cyclic monophosphate, cGMP, cyclic GMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-3',5'-cyclic monophosphate, cGMP, cyclic GMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:24316 CH$LINK: INCHIKEY ZOOGRGPOEVQQDX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001491; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024206.txt index 7001024c2e1..b252d12518b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024206 -RECORD_TITLE: Guanosine-3',5'-cyclic monophosphate, cGMP, cyclic GMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-3',5'-cyclic monophosphate, cGMP, cyclic GMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:24316 CH$LINK: INCHIKEY ZOOGRGPOEVQQDX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001491; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024207.txt index 8259f3c9d26..0992d89bec0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024207 -RECORD_TITLE: Guanosine-3',5'-cyclic monophosphate, cGMP, cyclic GMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-3',5'-cyclic monophosphate, cGMP, cyclic GMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:24316 CH$LINK: INCHIKEY ZOOGRGPOEVQQDX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001491; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024208.txt index 71a4e571195..1aba3f6463d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024208 -RECORD_TITLE: Guanosine-3',5'-cyclic monophosphate, cGMP, cyclic GMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-3',5'-cyclic monophosphate, cGMP, cyclic GMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:24316 CH$LINK: INCHIKEY ZOOGRGPOEVQQDX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001491; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024209.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024209.txt index 560f6f27ca2..ea4463e8c8c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024209.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024209 -RECORD_TITLE: Guanosine-3',5'-cyclic monophosphate, cGMP, cyclic GMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-3',5'-cyclic monophosphate, cGMP, cyclic GMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:24316 CH$LINK: INCHIKEY ZOOGRGPOEVQQDX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001491; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024210.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024210.txt index 62cb2ab5cfc..4593c3140e7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024210.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024210.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024210 -RECORD_TITLE: Guanosine-3',5'-cyclic monophosphate, cGMP, cyclic GMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-3',5'-cyclic monophosphate, cGMP, cyclic GMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:24316 CH$LINK: INCHIKEY ZOOGRGPOEVQQDX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001491; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024211.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024211.txt index 2b2eb031c52..32443ffb154 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024211.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024211.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024211 -RECORD_TITLE: Guanosine-3',5'-cyclic monophosphate, cGMP, cyclic GMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-3',5'-cyclic monophosphate, cGMP, cyclic GMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:24316 CH$LINK: INCHIKEY ZOOGRGPOEVQQDX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001491; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024212.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024212.txt index 88afbd9f6f3..9505bda8441 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024212.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024212.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024212 -RECORD_TITLE: Guanosine-3',5'-cyclic monophosphate, cGMP, cyclic GMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-3',5'-cyclic monophosphate, cGMP, cyclic GMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:24316 CH$LINK: INCHIKEY ZOOGRGPOEVQQDX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001491; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Cyclic purine nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024301.txt index 0c4d5aba127..b4a476199e6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024301 -RECORD_TITLE: GDP-Man, Guanosine 5'-Diphospho-D-mannose Sodium Salt, GDP-mannose, Guanosine-5'-diphosphate-D-mannose sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: GDP-Man, Guanosine 5'-Diphospho-D-mannose Sodium Salt, GDP-mannose, Guanosine-5'-diphosphate-D-mannose sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:18396 CH$LINK: INCHIKEY MVMSCBBUIHUTGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024302.txt index 9ff41a529d8..db60ee96cd9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024302 -RECORD_TITLE: GDP-Man, Guanosine 5'-Diphospho-D-mannose Sodium Salt, GDP-mannose, Guanosine-5'-diphosphate-D-mannose sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: GDP-Man, Guanosine 5'-Diphospho-D-mannose Sodium Salt, GDP-mannose, Guanosine-5'-diphosphate-D-mannose sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:18396 CH$LINK: INCHIKEY MVMSCBBUIHUTGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024303.txt index 65510206a68..71635b557c6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024303 -RECORD_TITLE: GDP-Man, Guanosine 5'-Diphospho-D-mannose Sodium Salt, GDP-mannose, Guanosine-5'-diphosphate-D-mannose sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: GDP-Man, Guanosine 5'-Diphospho-D-mannose Sodium Salt, GDP-mannose, Guanosine-5'-diphosphate-D-mannose sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:18396 CH$LINK: INCHIKEY MVMSCBBUIHUTGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024304.txt index e8dfacd71c7..9c86d1c7902 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024304 -RECORD_TITLE: GDP-Man, Guanosine 5'-Diphospho-D-mannose Sodium Salt, GDP-mannose, Guanosine-5'-diphosphate-D-mannose sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: GDP-Man, Guanosine 5'-Diphospho-D-mannose Sodium Salt, GDP-mannose, Guanosine-5'-diphosphate-D-mannose sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:18396 CH$LINK: INCHIKEY MVMSCBBUIHUTGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024305.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024305.txt index 9d8a78a3cdc..47e28fa301d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024305.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024305 -RECORD_TITLE: GDP-Man, Guanosine 5'-Diphospho-D-mannose Sodium Salt, GDP-mannose, Guanosine-5'-diphosphate-D-mannose sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: GDP-Man, Guanosine 5'-Diphospho-D-mannose Sodium Salt, GDP-mannose, Guanosine-5'-diphosphate-D-mannose sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:18396 CH$LINK: INCHIKEY MVMSCBBUIHUTGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024306.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024306.txt index ddd7cdfbf14..7a88fc27ff1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024306.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024306.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024306 -RECORD_TITLE: GDP-Man, Guanosine 5'-Diphospho-D-mannose Sodium Salt, GDP-mannose, Guanosine-5'-diphosphate-D-mannose sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: GDP-Man, Guanosine 5'-Diphospho-D-mannose Sodium Salt, GDP-mannose, Guanosine-5'-diphosphate-D-mannose sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:18396 CH$LINK: INCHIKEY MVMSCBBUIHUTGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024307.txt index c138e5f44e7..532c738c9ff 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024307 -RECORD_TITLE: GDP-Man, Guanosine 5'-Diphospho-D-mannose Sodium Salt, GDP-mannose, Guanosine-5'-diphosphate-D-mannose sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: GDP-Man, Guanosine 5'-Diphospho-D-mannose Sodium Salt, GDP-mannose, Guanosine-5'-diphosphate-D-mannose sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:18396 CH$LINK: INCHIKEY MVMSCBBUIHUTGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024308.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024308.txt index aa6ef788552..ef05d3b9fa3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024308.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024308.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024308 -RECORD_TITLE: GDP-Man, Guanosine 5'-Diphospho-D-mannose Sodium Salt, GDP-mannose, Guanosine-5'-diphosphate-D-mannose sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: GDP-Man, Guanosine 5'-Diphospho-D-mannose Sodium Salt, GDP-mannose, Guanosine-5'-diphosphate-D-mannose sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:18396 CH$LINK: INCHIKEY MVMSCBBUIHUTGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024309.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024309.txt index 5fe4d7ea461..fb114dfef03 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024309.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024309.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024309 -RECORD_TITLE: GDP-Man, Guanosine 5'-Diphospho-D-mannose Sodium Salt, GDP-mannose, Guanosine-5'-diphosphate-D-mannose sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: GDP-Man, Guanosine 5'-Diphospho-D-mannose Sodium Salt, GDP-mannose, Guanosine-5'-diphosphate-D-mannose sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:18396 CH$LINK: INCHIKEY MVMSCBBUIHUTGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024401.txt index 404f4a207eb..19353fe712c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024401 -RECORD_TITLE: Guanosine-5'-diphosphoglucose sodium salt, GDPG, GDP-Glc, GDP-glucose; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-5'-diphosphoglucose sodium salt, GDPG, GDP-Glc, GDP-glucose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439225 CH$LINK: INCHIKEY MVMSCBBUIHUTGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024402.txt index 1d055ba6a2c..2956fe4f957 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024402 -RECORD_TITLE: Guanosine-5'-diphosphoglucose sodium salt, GDPG, GDP-Glc, GDP-glucose; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-5'-diphosphoglucose sodium salt, GDPG, GDP-Glc, GDP-glucose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439225 CH$LINK: INCHIKEY MVMSCBBUIHUTGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024403.txt index 310bb046998..e6faebeeeb6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024403 -RECORD_TITLE: Guanosine-5'-diphosphoglucose sodium salt, GDPG, GDP-Glc, GDP-glucose; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-5'-diphosphoglucose sodium salt, GDPG, GDP-Glc, GDP-glucose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439225 CH$LINK: INCHIKEY MVMSCBBUIHUTGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024404.txt index 98dbb0de4a1..4f5def8a110 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024404 -RECORD_TITLE: Guanosine-5'-diphosphoglucose sodium salt, GDPG, GDP-Glc, GDP-glucose; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-5'-diphosphoglucose sodium salt, GDPG, GDP-Glc, GDP-glucose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439225 CH$LINK: INCHIKEY MVMSCBBUIHUTGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024405.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024405.txt index ef5b64e2d2a..978adcc1f0e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024405.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024405 -RECORD_TITLE: Guanosine-5'-diphosphoglucose sodium salt, GDPG, GDP-Glc, GDP-glucose; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-5'-diphosphoglucose sodium salt, GDPG, GDP-Glc, GDP-glucose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439225 CH$LINK: INCHIKEY MVMSCBBUIHUTGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024406.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024406.txt index 25e6f615b73..dca21da57a0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024406.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024406.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024406 -RECORD_TITLE: Guanosine-5'-diphosphoglucose sodium salt, GDPG, GDP-Glc, GDP-glucose; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-5'-diphosphoglucose sodium salt, GDPG, GDP-Glc, GDP-glucose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439225 CH$LINK: INCHIKEY MVMSCBBUIHUTGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024407.txt index ff4f907ba5e..0f7b136828b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024407 -RECORD_TITLE: Guanosine-5'-diphosphoglucose sodium salt, GDPG, GDP-Glc, GDP-glucose; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-5'-diphosphoglucose sodium salt, GDPG, GDP-Glc, GDP-glucose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439225 CH$LINK: INCHIKEY MVMSCBBUIHUTGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024408.txt index c15e7b27184..9b36192ee87 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024408 -RECORD_TITLE: Guanosine-5'-diphosphoglucose sodium salt, GDPG, GDP-Glc, GDP-glucose; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-5'-diphosphoglucose sodium salt, GDPG, GDP-Glc, GDP-glucose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439225 CH$LINK: INCHIKEY MVMSCBBUIHUTGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024409.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024409.txt index 93716630aa0..246ca354bda 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024409.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024409 -RECORD_TITLE: Guanosine-5'-diphosphoglucose sodium salt, GDPG, GDP-Glc, GDP-glucose; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-5'-diphosphoglucose sodium salt, GDPG, GDP-Glc, GDP-glucose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439225 CH$LINK: INCHIKEY MVMSCBBUIHUTGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024410.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024410.txt index 97ed71bd279..ab2f5b404d8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024410.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024410.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024410 -RECORD_TITLE: Guanosine-5'-diphosphoglucose sodium salt, GDPG, GDP-Glc, GDP-glucose; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-5'-diphosphoglucose sodium salt, GDPG, GDP-Glc, GDP-glucose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439225 CH$LINK: INCHIKEY MVMSCBBUIHUTGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024411.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024411.txt index 5c1dbe9f167..ee7f67ef61a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024411.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024411.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024411 -RECORD_TITLE: Guanosine-5'-diphosphoglucose sodium salt, GDPG, GDP-Glc, GDP-glucose; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-5'-diphosphoglucose sodium salt, GDPG, GDP-Glc, GDP-glucose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439225 CH$LINK: INCHIKEY MVMSCBBUIHUTGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024412.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024412.txt index 3bf899f82d4..b6dc5864575 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024412.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024412.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024412 -RECORD_TITLE: Guanosine-5'-diphosphoglucose sodium salt, GDPG, GDP-Glc, GDP-glucose; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-5'-diphosphoglucose sodium salt, GDPG, GDP-Glc, GDP-glucose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439225 CH$LINK: INCHIKEY MVMSCBBUIHUTGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024501.txt index 16e7b47364c..03a9d718674 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024501 -RECORD_TITLE: GDP-fucose, GDP-Fuc, Guanosine-5'-diphospho-beta-L-fucose, 6-Deoxy-beta-L-galactopyranosylguanosine 5'-diphosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: GDP-fucose, GDP-Fuc, Guanosine-5'-diphospho-beta-L-fucose, 6-Deoxy-beta-L-galactopyranosylguanosine 5'-diphosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:10918995 CH$LINK: INCHIKEY LQEBEXMHBLQMDB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024502.txt index 766a7d4227e..fd182422b47 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024502 -RECORD_TITLE: GDP-fucose, GDP-Fuc, Guanosine-5'-diphospho-beta-L-fucose, 6-Deoxy-beta-L-galactopyranosylguanosine 5'-diphosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: GDP-fucose, GDP-Fuc, Guanosine-5'-diphospho-beta-L-fucose, 6-Deoxy-beta-L-galactopyranosylguanosine 5'-diphosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:10918995 CH$LINK: INCHIKEY LQEBEXMHBLQMDB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024503.txt index fbfc49a9089..091c25686ea 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024503 -RECORD_TITLE: GDP-fucose, GDP-Fuc, Guanosine-5'-diphospho-beta-L-fucose, 6-Deoxy-beta-L-galactopyranosylguanosine 5'-diphosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: GDP-fucose, GDP-Fuc, Guanosine-5'-diphospho-beta-L-fucose, 6-Deoxy-beta-L-galactopyranosylguanosine 5'-diphosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:10918995 CH$LINK: INCHIKEY LQEBEXMHBLQMDB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024504.txt index 7e472d2e05e..172ed934fe7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024504 -RECORD_TITLE: GDP-fucose, GDP-Fuc, Guanosine-5'-diphospho-beta-L-fucose, 6-Deoxy-beta-L-galactopyranosylguanosine 5'-diphosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: GDP-fucose, GDP-Fuc, Guanosine-5'-diphospho-beta-L-fucose, 6-Deoxy-beta-L-galactopyranosylguanosine 5'-diphosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:10918995 CH$LINK: INCHIKEY LQEBEXMHBLQMDB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024505.txt index e2c732c5be4..0b56deaeaad 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024505 -RECORD_TITLE: GDP-fucose, GDP-Fuc, Guanosine-5'-diphospho-beta-L-fucose, 6-Deoxy-beta-L-galactopyranosylguanosine 5'-diphosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: GDP-fucose, GDP-Fuc, Guanosine-5'-diphospho-beta-L-fucose, 6-Deoxy-beta-L-galactopyranosylguanosine 5'-diphosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:10918995 CH$LINK: INCHIKEY LQEBEXMHBLQMDB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024506.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024506.txt index 841d8c21c44..4bd4c9e98ef 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024506.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024506 -RECORD_TITLE: GDP-fucose, GDP-Fuc, Guanosine-5'-diphospho-beta-L-fucose, 6-Deoxy-beta-L-galactopyranosylguanosine 5'-diphosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: GDP-fucose, GDP-Fuc, Guanosine-5'-diphospho-beta-L-fucose, 6-Deoxy-beta-L-galactopyranosylguanosine 5'-diphosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:10918995 CH$LINK: INCHIKEY LQEBEXMHBLQMDB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001293; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024601.txt index d1622821b0d..0bb79e0c138 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024601 -RECORD_TITLE: Guanosine monophosphate, 5'-GMP, Guanosine-5'-monophosphate disodium salt hydrate from Yeast, G-5'-P, GMP, Guanylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine monophosphate, 5'-GMP, Guanosine-5'-monophosphate disodium salt hydrate from Yeast, G-5'-P, GMP, Guanylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6804 CH$LINK: INCHIKEY RQFCJASXJCIDSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024602.txt index 8f559b378c4..ead75d091ae 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024602 -RECORD_TITLE: Guanosine monophosphate, 5'-GMP, Guanosine-5'-monophosphate disodium salt hydrate from Yeast, G-5'-P, GMP, Guanylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine monophosphate, 5'-GMP, Guanosine-5'-monophosphate disodium salt hydrate from Yeast, G-5'-P, GMP, Guanylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6804 CH$LINK: INCHIKEY RQFCJASXJCIDSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024603.txt index 798b03f1292..5465e933a7a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024603 -RECORD_TITLE: Guanosine monophosphate, 5'-GMP, Guanosine-5'-monophosphate disodium salt hydrate from Yeast, G-5'-P, GMP, Guanylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine monophosphate, 5'-GMP, Guanosine-5'-monophosphate disodium salt hydrate from Yeast, G-5'-P, GMP, Guanylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6804 CH$LINK: INCHIKEY RQFCJASXJCIDSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024604.txt index 0a843d568f2..553e5fd596d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024604 -RECORD_TITLE: Guanosine monophosphate, 5'-GMP, Guanosine-5'-monophosphate disodium salt hydrate from Yeast, G-5'-P, GMP, Guanylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine monophosphate, 5'-GMP, Guanosine-5'-monophosphate disodium salt hydrate from Yeast, G-5'-P, GMP, Guanylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6804 CH$LINK: INCHIKEY RQFCJASXJCIDSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024605.txt index 383b19a0738..68a23132808 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024605 -RECORD_TITLE: Guanosine monophosphate, 5'-GMP, Guanosine-5'-monophosphate disodium salt hydrate from Yeast, G-5'-P, GMP, Guanylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine monophosphate, 5'-GMP, Guanosine-5'-monophosphate disodium salt hydrate from Yeast, G-5'-P, GMP, Guanylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6804 CH$LINK: INCHIKEY RQFCJASXJCIDSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024606.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024606.txt index 24c961c765e..6c4a92b805f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024606.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024606.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024606 -RECORD_TITLE: Guanosine monophosphate, 5'-GMP, Guanosine-5'-monophosphate disodium salt hydrate from Yeast, G-5'-P, GMP, Guanylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine monophosphate, 5'-GMP, Guanosine-5'-monophosphate disodium salt hydrate from Yeast, G-5'-P, GMP, Guanylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6804 CH$LINK: INCHIKEY RQFCJASXJCIDSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024607.txt index 3ae7a292ab3..672096b0341 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024607 -RECORD_TITLE: Guanosine monophosphate, 5'-GMP, Guanosine-5'-monophosphate disodium salt hydrate from Yeast, G-5'-P, GMP, Guanylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine monophosphate, 5'-GMP, Guanosine-5'-monophosphate disodium salt hydrate from Yeast, G-5'-P, GMP, Guanylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6804 CH$LINK: INCHIKEY RQFCJASXJCIDSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024608.txt index 2766c0c190c..fce4bccee68 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024608 -RECORD_TITLE: Guanosine monophosphate, 5'-GMP, Guanosine-5'-monophosphate disodium salt hydrate from Yeast, G-5'-P, GMP, Guanylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine monophosphate, 5'-GMP, Guanosine-5'-monophosphate disodium salt hydrate from Yeast, G-5'-P, GMP, Guanylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6804 CH$LINK: INCHIKEY RQFCJASXJCIDSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024610.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024610.txt index 690ca2b4a72..5127c1e30f9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024610.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024610.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024610 -RECORD_TITLE: Guanosine monophosphate, 5'-GMP, Guanosine-5'-monophosphate disodium salt hydrate from Yeast, G-5'-P, GMP, Guanylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine monophosphate, 5'-GMP, Guanosine-5'-monophosphate disodium salt hydrate from Yeast, G-5'-P, GMP, Guanylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6804 CH$LINK: INCHIKEY RQFCJASXJCIDSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024611.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024611.txt index e3887f92c74..8d048224e75 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024611.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024611.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024611 -RECORD_TITLE: Guanosine monophosphate, 5'-GMP, Guanosine-5'-monophosphate disodium salt hydrate from Yeast, G-5'-P, GMP, Guanylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine monophosphate, 5'-GMP, Guanosine-5'-monophosphate disodium salt hydrate from Yeast, G-5'-P, GMP, Guanylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6804 CH$LINK: INCHIKEY RQFCJASXJCIDSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024612.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024612.txt index d81016f26e1..20a28fb8a6e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024612.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024612.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024612 -RECORD_TITLE: Guanosine monophosphate, 5'-GMP, Guanosine-5'-monophosphate disodium salt hydrate from Yeast, G-5'-P, GMP, Guanylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine monophosphate, 5'-GMP, Guanosine-5'-monophosphate disodium salt hydrate from Yeast, G-5'-P, GMP, Guanylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6804 CH$LINK: INCHIKEY RQFCJASXJCIDSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024701.txt index 23f5334e54e..922a1199ec3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024701 -RECORD_TITLE: Guanosine-5'-triphosphate sodium salt, GTP, 5'-GTP; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-5'-triphosphate sodium salt, GTP, 5'-GTP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6830 CH$LINK: INCHIKEY XKMLYUALXHKNFT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024702.txt index a3978a52a04..5fe202c183c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024702 -RECORD_TITLE: Guanosine-5'-triphosphate sodium salt, GTP, 5'-GTP; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-5'-triphosphate sodium salt, GTP, 5'-GTP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6830 CH$LINK: INCHIKEY XKMLYUALXHKNFT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024703.txt index a0525add031..e925536eb91 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024703 -RECORD_TITLE: Guanosine-5'-triphosphate sodium salt, GTP, 5'-GTP; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-5'-triphosphate sodium salt, GTP, 5'-GTP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6830 CH$LINK: INCHIKEY XKMLYUALXHKNFT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024704.txt index 231c205f0c4..74791397d96 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024704 -RECORD_TITLE: Guanosine-5'-triphosphate sodium salt, GTP, 5'-GTP; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-5'-triphosphate sodium salt, GTP, 5'-GTP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6830 CH$LINK: INCHIKEY XKMLYUALXHKNFT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024705.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024705.txt index 964319a750f..8b708295799 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024705.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024705 -RECORD_TITLE: Guanosine-5'-triphosphate sodium salt, GTP, 5'-GTP; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-5'-triphosphate sodium salt, GTP, 5'-GTP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6830 CH$LINK: INCHIKEY XKMLYUALXHKNFT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024706.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024706.txt index 3adaf64e9b9..c634c1514c2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024706.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024706.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024706 -RECORD_TITLE: Guanosine-5'-triphosphate sodium salt, GTP, 5'-GTP; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-5'-triphosphate sodium salt, GTP, 5'-GTP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6830 CH$LINK: INCHIKEY XKMLYUALXHKNFT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024707.txt index 0199940478f..533b35aaf6f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024707 -RECORD_TITLE: Guanosine-5'-triphosphate sodium salt, GTP, 5'-GTP; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-5'-triphosphate sodium salt, GTP, 5'-GTP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6830 CH$LINK: INCHIKEY XKMLYUALXHKNFT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024708.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024708.txt index 758cd2bdb66..b39c516fcdb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024708.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024708 -RECORD_TITLE: Guanosine-5'-triphosphate sodium salt, GTP, 5'-GTP; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-5'-triphosphate sodium salt, GTP, 5'-GTP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6830 CH$LINK: INCHIKEY XKMLYUALXHKNFT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024801.txt index fdb2ad1a258..7b982a65b41 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024801 -RECORD_TITLE: Enanthic acid, Heptylic acid, Oenanthic acid, Heptoic acid, Carboxylic Acid C7, Heptanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Enanthic acid, Heptylic acid, Oenanthic acid, Heptoic acid, Carboxylic Acid C7, Heptanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:8094 CH$LINK: INCHIKEY MNWFXJYAOYHMED-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024802.txt index 65fb211e650..597d0ed1ccf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024802 -RECORD_TITLE: Enanthic acid, Heptylic acid, Oenanthic acid, Heptoic acid, Carboxylic Acid C7, Heptanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Enanthic acid, Heptylic acid, Oenanthic acid, Heptoic acid, Carboxylic Acid C7, Heptanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:8094 CH$LINK: INCHIKEY MNWFXJYAOYHMED-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024803.txt index 643a077ea1e..da35f6a88a8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024803 -RECORD_TITLE: Enanthic acid, Heptylic acid, Oenanthic acid, Heptoic acid, Carboxylic Acid C7, Heptanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Enanthic acid, Heptylic acid, Oenanthic acid, Heptoic acid, Carboxylic Acid C7, Heptanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:8094 CH$LINK: INCHIKEY MNWFXJYAOYHMED-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024901.txt index 65e200a937b..f82bf7f8e44 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS024901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS024901 -RECORD_TITLE: Caproic acid, Carboxylic Acid C6, Pentane-1-carboxylic Acid, Hexanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Caproic acid, Carboxylic Acid C6, Pentane-1-carboxylic Acid, Hexanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:8892 CH$LINK: INCHIKEY FUZZWVXGSFPDMH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025101.txt index b6b16ad6994..484d4d6df32 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025101 -RECORD_TITLE: 2-Aminoethylsulfinic Acid, 2-Aminoethanesulfinic acid, Hypotaurine; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Aminoethylsulfinic Acid, 2-Aminoethanesulfinic acid, Hypotaurine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:107812 CH$LINK: INCHIKEY VVIUBCNYACGLLV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001269; Organic compounds; Organic acids and derivatives; Sulfinic acids and derivatives; Sulfinic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025102.txt index adc1e6e8a76..7d5ec35d38f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025102 -RECORD_TITLE: 2-Aminoethylsulfinic Acid, 2-Aminoethanesulfinic acid, Hypotaurine; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Aminoethylsulfinic Acid, 2-Aminoethanesulfinic acid, Hypotaurine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:107812 CH$LINK: INCHIKEY VVIUBCNYACGLLV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001269; Organic compounds; Organic acids and derivatives; Sulfinic acids and derivatives; Sulfinic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025103.txt index 6d829b1da8d..d20b837bf70 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025103 -RECORD_TITLE: 2-Aminoethylsulfinic Acid, 2-Aminoethanesulfinic acid, Hypotaurine; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Aminoethylsulfinic Acid, 2-Aminoethanesulfinic acid, Hypotaurine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:107812 CH$LINK: INCHIKEY VVIUBCNYACGLLV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001269; Organic compounds; Organic acids and derivatives; Sulfinic acids and derivatives; Sulfinic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025201.txt index 1fea61c7d25..47d210ae21d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025201 -RECORD_TITLE: 6-Oxopurine, Sarcine, HX, Sarkine, Hypoxanthine enol, 6-Hydroxypurine, Sarkin, Hypoxanthine; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-Oxopurine, Sarcine, HX, Sarkine, Hypoxanthine enol, 6-Hydroxypurine, Sarkin, Hypoxanthine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:790 CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025202.txt index de566aeb83e..1247031ef7b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025202 -RECORD_TITLE: 6-Oxopurine, Sarcine, HX, Sarkine, Hypoxanthine enol, 6-Hydroxypurine, Sarkin, Hypoxanthine; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-Oxopurine, Sarcine, HX, Sarkine, Hypoxanthine enol, 6-Hydroxypurine, Sarkin, Hypoxanthine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:790 CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025203.txt index 19a3d124be8..91f9df986da 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025203 -RECORD_TITLE: 6-Oxopurine, Sarcine, HX, Sarkine, Hypoxanthine enol, 6-Hydroxypurine, Sarkin, Hypoxanthine; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-Oxopurine, Sarcine, HX, Sarkine, Hypoxanthine enol, 6-Hydroxypurine, Sarkin, Hypoxanthine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:790 CH$LINK: INCHIKEY FDGQSTZJBFJUBT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025301.txt index 79265c80dba..8eed1c0dfe0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025301 -RECORD_TITLE: Algofen, Butylenin, Roidenin, Balkaprofen, Ibuprocin, Betaprofen, Nobfelon, Unipron, Anflagen, Antarene, Brufen, Amibufen, Ibuprofen, Napacetin, alpha-p-Isobutylphenylpropionic acid, Nurofen, Alaxan, alpha-Methyl-4-(isobutyl)phenylacetic acid, 4-Isobutylhydratropic acid, Mynosedin; LC-ESI-QQ; MS2 +RECORD_TITLE: Algofen, Butylenin, Roidenin, Balkaprofen, Ibuprocin, Betaprofen, Nobfelon, Unipron, Anflagen, Antarene, Brufen, Amibufen, Ibuprofen, Napacetin, alpha-p-Isobutylphenylpropionic acid, Nurofen, Alaxan, alpha-Methyl-4-(isobutyl)phenylacetic acid, 4-Isobutylhydratropic acid, Mynosedin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -43,7 +43,7 @@ CH$LINK: PUBCHEM CID:3672 CH$LINK: INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025302.txt index 517b6fe3a8a..37f74ef62c5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025302 -RECORD_TITLE: Algofen, Butylenin, Roidenin, Balkaprofen, Ibuprocin, Betaprofen, Nobfelon, Unipron, Anflagen, Antarene, Brufen, Amibufen, Ibuprofen, Napacetin, alpha-p-Isobutylphenylpropionic acid, Nurofen, Alaxan, alpha-Methyl-4-(isobutyl)phenylacetic acid, 4-Isobutylhydratropic acid, Mynosedin; LC-ESI-QQ; MS2 +RECORD_TITLE: Algofen, Butylenin, Roidenin, Balkaprofen, Ibuprocin, Betaprofen, Nobfelon, Unipron, Anflagen, Antarene, Brufen, Amibufen, Ibuprofen, Napacetin, alpha-p-Isobutylphenylpropionic acid, Nurofen, Alaxan, alpha-Methyl-4-(isobutyl)phenylacetic acid, 4-Isobutylhydratropic acid, Mynosedin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -43,7 +43,7 @@ CH$LINK: PUBCHEM CID:3672 CH$LINK: INCHIKEY HEFNNWSXXWATRW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025409.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025409.txt index 50f194f1327..f206dc78b0b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025409.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025409 -RECORD_TITLE: Indole-3-acetaldehyde sodium bisulfite, 1-hydroxy-2-(1H-indol-3-yl)ethanesulfonic acid ; LC-ESI-QQ; MS2 +RECORD_TITLE: Indole-3-acetaldehyde sodium bisulfite, 1-hydroxy-2-(1H-indol-3-yl)ethanesulfonic acid ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -23,7 +23,7 @@ CH$LINK: PUBCHEM CID:4385488 CH$LINK: INCHIKEY AGASQWULIFZUOK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025501.txt index 5a4a2fc2c79..59ae5b99efb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025501 -RECORD_TITLE: 3-IAA, Heteroauxin, Rhizopin, Indoleacetate, IAA, Indole-3-acetic acid, omega-Skatole carboxylic acid, Rhizopon A, 3-Indoleacetic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-IAA, Heteroauxin, Rhizopin, Indoleacetate, IAA, Indole-3-acetic acid, omega-Skatole carboxylic acid, Rhizopon A, 3-Indoleacetic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:802 CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025502.txt index bb5bebc4c1b..053ce561b21 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025502 -RECORD_TITLE: 3-IAA, Heteroauxin, Rhizopin, Indoleacetate, IAA, Indole-3-acetic acid, omega-Skatole carboxylic acid, Rhizopon A, 3-Indoleacetic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-IAA, Heteroauxin, Rhizopin, Indoleacetate, IAA, Indole-3-acetic acid, omega-Skatole carboxylic acid, Rhizopon A, 3-Indoleacetic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:802 CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025503.txt index 62903ded792..f7d68dea02d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025503 -RECORD_TITLE: 3-IAA, Heteroauxin, Rhizopin, Indoleacetate, IAA, Indole-3-acetic acid, omega-Skatole carboxylic acid, Rhizopon A, 3-Indoleacetic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-IAA, Heteroauxin, Rhizopin, Indoleacetate, IAA, Indole-3-acetic acid, omega-Skatole carboxylic acid, Rhizopon A, 3-Indoleacetic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:802 CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025504.txt index 34109b1ca4b..91adf23fd2b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025504 -RECORD_TITLE: 3-IAA, Heteroauxin, Rhizopin, Indoleacetate, IAA, Indole-3-acetic acid, omega-Skatole carboxylic acid, Rhizopon A, 3-Indoleacetic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-IAA, Heteroauxin, Rhizopin, Indoleacetate, IAA, Indole-3-acetic acid, omega-Skatole carboxylic acid, Rhizopon A, 3-Indoleacetic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:802 CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025505.txt index e6ce727e219..f0645a36456 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025505 -RECORD_TITLE: 3-IAA, Heteroauxin, Rhizopin, Indoleacetate, IAA, Indole-3-acetic acid, omega-Skatole carboxylic acid, Rhizopon A, 3-Indoleacetic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-IAA, Heteroauxin, Rhizopin, Indoleacetate, IAA, Indole-3-acetic acid, omega-Skatole carboxylic acid, Rhizopon A, 3-Indoleacetic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:802 CH$LINK: INCHIKEY SEOVTRFCIGRIMH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025601.txt index 82bcd01642d..6a488e98561 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025601 -RECORD_TITLE: 9-beta-D-ribofuranosylhypoxanthine, INO, (?)-Inosine, Oxiamin, Trophicardyl, Ribonosine, Inosine, Hypoxanthine 9-beta-D-ribofuranoside, beta-Inosine, Hypoxanthine ribonucleoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 9-beta-D-ribofuranosylhypoxanthine, INO, (?)-Inosine, Oxiamin, Trophicardyl, Ribonosine, Inosine, Hypoxanthine 9-beta-D-ribofuranoside, beta-Inosine, Hypoxanthine ribonucleoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:6021 CH$LINK: INCHIKEY UGQMRVRMYYASKQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025602.txt index ee260799b1e..cff18010dee 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025602 -RECORD_TITLE: 9-beta-D-ribofuranosylhypoxanthine, INO, (?)-Inosine, Oxiamin, Trophicardyl, Ribonosine, Inosine, Hypoxanthine 9-beta-D-ribofuranoside, beta-Inosine, Hypoxanthine ribonucleoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 9-beta-D-ribofuranosylhypoxanthine, INO, (?)-Inosine, Oxiamin, Trophicardyl, Ribonosine, Inosine, Hypoxanthine 9-beta-D-ribofuranoside, beta-Inosine, Hypoxanthine ribonucleoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:6021 CH$LINK: INCHIKEY UGQMRVRMYYASKQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025603.txt index 8a0faf636e7..907fa5e5051 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025603 -RECORD_TITLE: 9-beta-D-ribofuranosylhypoxanthine, INO, (?)-Inosine, Oxiamin, Trophicardyl, Ribonosine, Inosine, Hypoxanthine 9-beta-D-ribofuranoside, beta-Inosine, Hypoxanthine ribonucleoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 9-beta-D-ribofuranosylhypoxanthine, INO, (?)-Inosine, Oxiamin, Trophicardyl, Ribonosine, Inosine, Hypoxanthine 9-beta-D-ribofuranoside, beta-Inosine, Hypoxanthine ribonucleoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:6021 CH$LINK: INCHIKEY UGQMRVRMYYASKQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025604.txt index e0d4a1e2727..e8303bcddec 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025604 -RECORD_TITLE: 9-beta-D-ribofuranosylhypoxanthine, INO, (?)-Inosine, Oxiamin, Trophicardyl, Ribonosine, Inosine, Hypoxanthine 9-beta-D-ribofuranoside, beta-Inosine, Hypoxanthine ribonucleoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 9-beta-D-ribofuranosylhypoxanthine, INO, (?)-Inosine, Oxiamin, Trophicardyl, Ribonosine, Inosine, Hypoxanthine 9-beta-D-ribofuranoside, beta-Inosine, Hypoxanthine ribonucleoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:6021 CH$LINK: INCHIKEY UGQMRVRMYYASKQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025605.txt index bc4316a8143..668783789f5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025605 -RECORD_TITLE: 9-beta-D-ribofuranosylhypoxanthine, INO, (?)-Inosine, Oxiamin, Trophicardyl, Ribonosine, Inosine, Hypoxanthine 9-beta-D-ribofuranoside, beta-Inosine, Hypoxanthine ribonucleoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 9-beta-D-ribofuranosylhypoxanthine, INO, (?)-Inosine, Oxiamin, Trophicardyl, Ribonosine, Inosine, Hypoxanthine 9-beta-D-ribofuranoside, beta-Inosine, Hypoxanthine ribonucleoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:6021 CH$LINK: INCHIKEY UGQMRVRMYYASKQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025606.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025606.txt index 42ca50686d9..932e4beb69d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025606.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025606.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025606 -RECORD_TITLE: 9-beta-D-ribofuranosylhypoxanthine, INO, (?)-Inosine, Oxiamin, Trophicardyl, Ribonosine, Inosine, Hypoxanthine 9-beta-D-ribofuranoside, beta-Inosine, Hypoxanthine ribonucleoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 9-beta-D-ribofuranosylhypoxanthine, INO, (?)-Inosine, Oxiamin, Trophicardyl, Ribonosine, Inosine, Hypoxanthine 9-beta-D-ribofuranoside, beta-Inosine, Hypoxanthine ribonucleoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:6021 CH$LINK: INCHIKEY UGQMRVRMYYASKQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025607.txt index 5782a9972d2..8e2258d1031 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025607 -RECORD_TITLE: 9-beta-D-ribofuranosylhypoxanthine, INO, (?)-Inosine, Oxiamin, Trophicardyl, Ribonosine, Inosine, Hypoxanthine 9-beta-D-ribofuranoside, beta-Inosine, Hypoxanthine ribonucleoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 9-beta-D-ribofuranosylhypoxanthine, INO, (?)-Inosine, Oxiamin, Trophicardyl, Ribonosine, Inosine, Hypoxanthine 9-beta-D-ribofuranoside, beta-Inosine, Hypoxanthine ribonucleoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:6021 CH$LINK: INCHIKEY UGQMRVRMYYASKQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025608.txt index e0e40a4cff4..df21a040d04 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025608 -RECORD_TITLE: 9-beta-D-ribofuranosylhypoxanthine, INO, (?)-Inosine, Oxiamin, Trophicardyl, Ribonosine, Inosine, Hypoxanthine 9-beta-D-ribofuranoside, beta-Inosine, Hypoxanthine ribonucleoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 9-beta-D-ribofuranosylhypoxanthine, INO, (?)-Inosine, Oxiamin, Trophicardyl, Ribonosine, Inosine, Hypoxanthine 9-beta-D-ribofuranoside, beta-Inosine, Hypoxanthine ribonucleoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:6021 CH$LINK: INCHIKEY UGQMRVRMYYASKQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025609.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025609.txt index 85bcc000fb0..29268d41661 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025609.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025609.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025609 -RECORD_TITLE: 9-beta-D-ribofuranosylhypoxanthine, INO, (?)-Inosine, Oxiamin, Trophicardyl, Ribonosine, Inosine, Hypoxanthine 9-beta-D-ribofuranoside, beta-Inosine, Hypoxanthine ribonucleoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 9-beta-D-ribofuranosylhypoxanthine, INO, (?)-Inosine, Oxiamin, Trophicardyl, Ribonosine, Inosine, Hypoxanthine 9-beta-D-ribofuranoside, beta-Inosine, Hypoxanthine ribonucleoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:6021 CH$LINK: INCHIKEY UGQMRVRMYYASKQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025610.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025610.txt index 9a91aa3ac80..3397fcf729f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025610.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025610.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025610 -RECORD_TITLE: 9-beta-D-ribofuranosylhypoxanthine, INO, (?)-Inosine, Oxiamin, Trophicardyl, Ribonosine, Inosine, Hypoxanthine 9-beta-D-ribofuranoside, beta-Inosine, Hypoxanthine ribonucleoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 9-beta-D-ribofuranosylhypoxanthine, INO, (?)-Inosine, Oxiamin, Trophicardyl, Ribonosine, Inosine, Hypoxanthine 9-beta-D-ribofuranoside, beta-Inosine, Hypoxanthine ribonucleoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:6021 CH$LINK: INCHIKEY UGQMRVRMYYASKQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025611.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025611.txt index 3a9806615a9..a2e9c633256 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025611.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025611.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025611 -RECORD_TITLE: 9-beta-D-ribofuranosylhypoxanthine, INO, (?)-Inosine, Oxiamin, Trophicardyl, Ribonosine, Inosine, Hypoxanthine 9-beta-D-ribofuranoside, beta-Inosine, Hypoxanthine ribonucleoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 9-beta-D-ribofuranosylhypoxanthine, INO, (?)-Inosine, Oxiamin, Trophicardyl, Ribonosine, Inosine, Hypoxanthine 9-beta-D-ribofuranoside, beta-Inosine, Hypoxanthine ribonucleoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:6021 CH$LINK: INCHIKEY UGQMRVRMYYASKQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025701.txt index 4298c76551c..4b149d52f5e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025701 -RECORD_TITLE: 5'-IDP, IDP, Inosine-5'-diphosphate sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-IDP, IDP, Inosine-5'-diphosphate sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6831 CH$LINK: INCHIKEY JPXZQMKKFWMMGK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025702.txt index f5fda9e8eeb..d7742de9389 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025702 -RECORD_TITLE: 5'-IDP, IDP, Inosine-5'-diphosphate sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-IDP, IDP, Inosine-5'-diphosphate sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6831 CH$LINK: INCHIKEY JPXZQMKKFWMMGK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025703.txt index 17828cdae5a..4430dee8af6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025703 -RECORD_TITLE: 5'-IDP, IDP, Inosine-5'-diphosphate sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-IDP, IDP, Inosine-5'-diphosphate sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6831 CH$LINK: INCHIKEY JPXZQMKKFWMMGK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025704.txt index 7fc86167277..3fe92fcad80 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025704 -RECORD_TITLE: 5'-IDP, IDP, Inosine-5'-diphosphate sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-IDP, IDP, Inosine-5'-diphosphate sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6831 CH$LINK: INCHIKEY JPXZQMKKFWMMGK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025707.txt index c2b88bfa654..3ce9ec3e374 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025707 -RECORD_TITLE: 5'-IDP, IDP, Inosine-5'-diphosphate sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-IDP, IDP, Inosine-5'-diphosphate sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6831 CH$LINK: INCHIKEY JPXZQMKKFWMMGK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025801.txt index 639851a0de6..151e8facc24 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025801 -RECORD_TITLE: 5'-inosinate, I-5'-P, Inosinic Acid, IMP, 5'-IMP, Inosine-5'-monophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-inosinate, I-5'-P, Inosinic Acid, IMP, 5'-IMP, Inosine-5'-monophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8582 CH$LINK: INCHIKEY GRSZFWQUAKGDAV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025802.txt index 0ca505cb447..1d6055b649d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025802 -RECORD_TITLE: 5'-inosinate, I-5'-P, Inosinic Acid, IMP, 5'-IMP, Inosine-5'-monophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-inosinate, I-5'-P, Inosinic Acid, IMP, 5'-IMP, Inosine-5'-monophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8582 CH$LINK: INCHIKEY GRSZFWQUAKGDAV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025803.txt index 3876ac40203..7d19738c43f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025803 -RECORD_TITLE: 5'-inosinate, I-5'-P, Inosinic Acid, IMP, 5'-IMP, Inosine-5'-monophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-inosinate, I-5'-P, Inosinic Acid, IMP, 5'-IMP, Inosine-5'-monophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8582 CH$LINK: INCHIKEY GRSZFWQUAKGDAV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025804.txt index 03ad8659655..e35252ba274 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025804 -RECORD_TITLE: 5'-inosinate, I-5'-P, Inosinic Acid, IMP, 5'-IMP, Inosine-5'-monophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-inosinate, I-5'-P, Inosinic Acid, IMP, 5'-IMP, Inosine-5'-monophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8582 CH$LINK: INCHIKEY GRSZFWQUAKGDAV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025805.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025805.txt index 6b8bcbdbfa8..1bd6ac01019 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025805.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025805 -RECORD_TITLE: 5'-inosinate, I-5'-P, Inosinic Acid, IMP, 5'-IMP, Inosine-5'-monophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-inosinate, I-5'-P, Inosinic Acid, IMP, 5'-IMP, Inosine-5'-monophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8582 CH$LINK: INCHIKEY GRSZFWQUAKGDAV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025806.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025806.txt index a9853bde7bf..ba519449262 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025806.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025806.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025806 -RECORD_TITLE: 5'-inosinate, I-5'-P, Inosinic Acid, IMP, 5'-IMP, Inosine-5'-monophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-inosinate, I-5'-P, Inosinic Acid, IMP, 5'-IMP, Inosine-5'-monophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8582 CH$LINK: INCHIKEY GRSZFWQUAKGDAV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025807.txt index cd8dacd74d5..e6b8bb259da 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025807 -RECORD_TITLE: 5'-inosinate, I-5'-P, Inosinic Acid, IMP, 5'-IMP, Inosine-5'-monophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-inosinate, I-5'-P, Inosinic Acid, IMP, 5'-IMP, Inosine-5'-monophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8582 CH$LINK: INCHIKEY GRSZFWQUAKGDAV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025808.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025808.txt index 1f788b8527f..806bccb1f8f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025808.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025808 -RECORD_TITLE: 5'-inosinate, I-5'-P, Inosinic Acid, IMP, 5'-IMP, Inosine-5'-monophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-inosinate, I-5'-P, Inosinic Acid, IMP, 5'-IMP, Inosine-5'-monophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8582 CH$LINK: INCHIKEY GRSZFWQUAKGDAV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025811.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025811.txt index e25b41c6871..cb9db8b8ba7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025811.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025811.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025811 -RECORD_TITLE: 5'-inosinate, I-5'-P, Inosinic Acid, IMP, 5'-IMP, Inosine-5'-monophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-inosinate, I-5'-P, Inosinic Acid, IMP, 5'-IMP, Inosine-5'-monophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8582 CH$LINK: INCHIKEY GRSZFWQUAKGDAV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025812.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025812.txt index 012ebfec4f8..c2cf11d28db 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025812.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025812.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025812 -RECORD_TITLE: 5'-inosinate, I-5'-P, Inosinic Acid, IMP, 5'-IMP, Inosine-5'-monophosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-inosinate, I-5'-P, Inosinic Acid, IMP, 5'-IMP, Inosine-5'-monophosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8582 CH$LINK: INCHIKEY GRSZFWQUAKGDAV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025901.txt index b005d883272..50b81857fad 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025901 -RECORD_TITLE: 5'-ITP, Inosine-5'-triphosphate trisodium salt, ITP; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-ITP, Inosine-5'-triphosphate trisodium salt, ITP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:8583 CH$LINK: INCHIKEY HAEJPQIATWHALX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025902.txt index 37f52887150..3a9f9d19dff 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025902 -RECORD_TITLE: 5'-ITP, Inosine-5'-triphosphate trisodium salt, ITP; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-ITP, Inosine-5'-triphosphate trisodium salt, ITP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:8583 CH$LINK: INCHIKEY HAEJPQIATWHALX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025907.txt index 76d38306cbf..bf13c039a51 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025907 -RECORD_TITLE: 5'-ITP, Inosine-5'-triphosphate trisodium salt, ITP; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-ITP, Inosine-5'-triphosphate trisodium salt, ITP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:8583 CH$LINK: INCHIKEY HAEJPQIATWHALX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025908.txt index eed15ec9d26..56d1231ff45 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025908 -RECORD_TITLE: 5'-ITP, Inosine-5'-triphosphate trisodium salt, ITP; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-ITP, Inosine-5'-triphosphate trisodium salt, ITP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:8583 CH$LINK: INCHIKEY HAEJPQIATWHALX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025909.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025909.txt index e45bcb83f66..8e3dc3168d6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025909.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS025909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS025909 -RECORD_TITLE: 5'-ITP, Inosine-5'-triphosphate trisodium salt, ITP; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-ITP, Inosine-5'-triphosphate trisodium salt, ITP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:8583 CH$LINK: INCHIKEY HAEJPQIATWHALX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026001.txt index f26b02805ff..6ff4157041a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026001 -RECORD_TITLE: Isobutyryl coenzyme A (C4:0) lithium salt, Isobutyryl-CoA, 2-Methylpropanoyl-CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: Isobutyryl coenzyme A (C4:0) lithium salt, Isobutyryl-CoA, 2-Methylpropanoyl-CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439277 CH$LINK: INCHIKEY AEWHYWSPVRZHCT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026002.txt index 23991132029..be72bfafa40 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026002 -RECORD_TITLE: Isobutyryl coenzyme A (C4:0) lithium salt, Isobutyryl-CoA, 2-Methylpropanoyl-CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: Isobutyryl coenzyme A (C4:0) lithium salt, Isobutyryl-CoA, 2-Methylpropanoyl-CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439277 CH$LINK: INCHIKEY AEWHYWSPVRZHCT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026003.txt index ca053da866f..004db4004ed 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026003 -RECORD_TITLE: Isobutyryl coenzyme A (C4:0) lithium salt, Isobutyryl-CoA, 2-Methylpropanoyl-CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: Isobutyryl coenzyme A (C4:0) lithium salt, Isobutyryl-CoA, 2-Methylpropanoyl-CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439277 CH$LINK: INCHIKEY AEWHYWSPVRZHCT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026004.txt index 15c3504a976..66fad9b4c2f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026004 -RECORD_TITLE: Isobutyryl coenzyme A (C4:0) lithium salt, Isobutyryl-CoA, 2-Methylpropanoyl-CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: Isobutyryl coenzyme A (C4:0) lithium salt, Isobutyryl-CoA, 2-Methylpropanoyl-CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439277 CH$LINK: INCHIKEY AEWHYWSPVRZHCT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026005.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026005.txt index dbd968c333f..0fa2fb9c875 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026005.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026005 -RECORD_TITLE: Isobutyryl coenzyme A (C4:0) lithium salt, Isobutyryl-CoA, 2-Methylpropanoyl-CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: Isobutyryl coenzyme A (C4:0) lithium salt, Isobutyryl-CoA, 2-Methylpropanoyl-CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439277 CH$LINK: INCHIKEY AEWHYWSPVRZHCT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026006.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026006.txt index 71d13e43be5..d61d6e93945 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026006.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026006.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026006 -RECORD_TITLE: Isobutyryl coenzyme A (C4:0) lithium salt, Isobutyryl-CoA, 2-Methylpropanoyl-CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: Isobutyryl coenzyme A (C4:0) lithium salt, Isobutyryl-CoA, 2-Methylpropanoyl-CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439277 CH$LINK: INCHIKEY AEWHYWSPVRZHCT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026007.txt index 3940790ce96..da6f7676fcd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026007 -RECORD_TITLE: Isobutyryl coenzyme A (C4:0) lithium salt, Isobutyryl-CoA, 2-Methylpropanoyl-CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: Isobutyryl coenzyme A (C4:0) lithium salt, Isobutyryl-CoA, 2-Methylpropanoyl-CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439277 CH$LINK: INCHIKEY AEWHYWSPVRZHCT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026008.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026008.txt index 025887f28c9..b206b2fae58 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026008.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026008 -RECORD_TITLE: Isobutyryl coenzyme A (C4:0) lithium salt, Isobutyryl-CoA, 2-Methylpropanoyl-CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: Isobutyryl coenzyme A (C4:0) lithium salt, Isobutyryl-CoA, 2-Methylpropanoyl-CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439277 CH$LINK: INCHIKEY AEWHYWSPVRZHCT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026009.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026009.txt index 13440464048..5489d3bb69b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026009.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026009 -RECORD_TITLE: Isobutyryl coenzyme A (C4:0) lithium salt, Isobutyryl-CoA, 2-Methylpropanoyl-CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: Isobutyryl coenzyme A (C4:0) lithium salt, Isobutyryl-CoA, 2-Methylpropanoyl-CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439277 CH$LINK: INCHIKEY AEWHYWSPVRZHCT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026010.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026010.txt index 967529aa064..34d406b0f61 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026010.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026010.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026010 -RECORD_TITLE: Isobutyryl coenzyme A (C4:0) lithium salt, Isobutyryl-CoA, 2-Methylpropanoyl-CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: Isobutyryl coenzyme A (C4:0) lithium salt, Isobutyryl-CoA, 2-Methylpropanoyl-CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439277 CH$LINK: INCHIKEY AEWHYWSPVRZHCT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026011.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026011.txt index 262d7cffbbd..3146b2736c5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026011.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026011.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026011 -RECORD_TITLE: Isobutyryl coenzyme A (C4:0) lithium salt, Isobutyryl-CoA, 2-Methylpropanoyl-CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: Isobutyryl coenzyme A (C4:0) lithium salt, Isobutyryl-CoA, 2-Methylpropanoyl-CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439277 CH$LINK: INCHIKEY AEWHYWSPVRZHCT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026101.txt index f0c4c88cea5..8642d07d9c3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026101 -RECORD_TITLE: 1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid hydrochloride, Isoguvacine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid hydrochloride, Isoguvacine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:3765 CH$LINK: INCHIKEY KRVDMABBKYMBHG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026102.txt index 21b1828737c..741f1e9526a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026102 -RECORD_TITLE: 1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid hydrochloride, Isoguvacine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid hydrochloride, Isoguvacine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:3765 CH$LINK: INCHIKEY KRVDMABBKYMBHG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026103.txt index abcbc24b138..7743a14566a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026103 -RECORD_TITLE: 1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid hydrochloride, Isoguvacine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid hydrochloride, Isoguvacine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:3765 CH$LINK: INCHIKEY KRVDMABBKYMBHG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026104.txt index f98bcb77ef8..97afc55a447 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026104 -RECORD_TITLE: 1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid hydrochloride, Isoguvacine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid hydrochloride, Isoguvacine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:3765 CH$LINK: INCHIKEY KRVDMABBKYMBHG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026106.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026106.txt index 33f82c130c9..3d2c5df32dd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026106.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026106 -RECORD_TITLE: 1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid hydrochloride, Isoguvacine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid hydrochloride, Isoguvacine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:3765 CH$LINK: INCHIKEY KRVDMABBKYMBHG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026201.txt index 1dbd62e2902..4913a698eb3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026201 -RECORD_TITLE: Isonicotinic acid, INA, 4-Carboxypyridine, 4-Pyridinecarboxylic Acid, 4-Picolinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Isonicotinic acid, INA, 4-Carboxypyridine, 4-Pyridinecarboxylic Acid, 4-Picolinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5922 CH$LINK: INCHIKEY TWBYWOBDOCUKOW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026202.txt index a9ff9fabed7..2a6b3b6b027 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026202 -RECORD_TITLE: Isonicotinic acid, INA, 4-Carboxypyridine, 4-Pyridinecarboxylic Acid, 4-Picolinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Isonicotinic acid, INA, 4-Carboxypyridine, 4-Pyridinecarboxylic Acid, 4-Picolinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5922 CH$LINK: INCHIKEY TWBYWOBDOCUKOW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026203.txt index febfb417378..1ee15ed05be 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026203 -RECORD_TITLE: Isonicotinic acid, INA, 4-Carboxypyridine, 4-Pyridinecarboxylic Acid, 4-Picolinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Isonicotinic acid, INA, 4-Carboxypyridine, 4-Pyridinecarboxylic Acid, 4-Picolinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5922 CH$LINK: INCHIKEY TWBYWOBDOCUKOW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026204.txt index 86a9453d225..1b50f2cdef7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026204 -RECORD_TITLE: Isonicotinic acid, INA, 4-Carboxypyridine, 4-Pyridinecarboxylic Acid, 4-Picolinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Isonicotinic acid, INA, 4-Carboxypyridine, 4-Pyridinecarboxylic Acid, 4-Picolinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5922 CH$LINK: INCHIKEY TWBYWOBDOCUKOW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026207.txt index d40f5b8347d..40a89226e1b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026207 -RECORD_TITLE: Isonicotinic acid, INA, 4-Carboxypyridine, 4-Pyridinecarboxylic Acid, 4-Picolinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Isonicotinic acid, INA, 4-Carboxypyridine, 4-Pyridinecarboxylic Acid, 4-Picolinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5922 CH$LINK: INCHIKEY TWBYWOBDOCUKOW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026208.txt index 9ae35663fa9..fccc2fa65ce 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026208 -RECORD_TITLE: Isonicotinic acid, INA, 4-Carboxypyridine, 4-Pyridinecarboxylic Acid, 4-Picolinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Isonicotinic acid, INA, 4-Carboxypyridine, 4-Pyridinecarboxylic Acid, 4-Picolinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5922 CH$LINK: INCHIKEY TWBYWOBDOCUKOW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026301.txt index 50ddbcee1e2..5ab10f47ac1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026301 -RECORD_TITLE: L-Hydroxybutanedioic acid, L-(-)-Malic acid, L-Malate, (S)-(?)-2-Hydroxysuccinic acid, Apple acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Hydroxybutanedioic acid, L-(-)-Malic acid, L-Malate, (S)-(?)-2-Hydroxysuccinic acid, Apple acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:222656 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026307.txt index ddfc422ce9b..1c3d6d26695 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026307 -RECORD_TITLE: L-Hydroxybutanedioic acid, L-(-)-Malic acid, L-Malate, (S)-(?)-2-Hydroxysuccinic acid, Apple acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Hydroxybutanedioic acid, L-(-)-Malic acid, L-Malate, (S)-(?)-2-Hydroxysuccinic acid, Apple acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:222656 CH$LINK: INCHIKEY BJEPYKJPYRNKOW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001713; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Beta hydroxy acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026401.txt index a2dc8ac3eb8..7717404f5c6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026401 -RECORD_TITLE: L-Alanine, L-alpha-Alanine, L-alpha-Aminopropionic acid, Ala, (S)-2-Aminopropionic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Alanine, L-alpha-Alanine, L-alpha-Aminopropionic acid, Ala, (S)-2-Aminopropionic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5950 CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026402.txt index 689f1056619..ee16d975347 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026402 -RECORD_TITLE: L-Alanine, L-alpha-Alanine, L-alpha-Aminopropionic acid, Ala, (S)-2-Aminopropionic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Alanine, L-alpha-Alanine, L-alpha-Aminopropionic acid, Ala, (S)-2-Aminopropionic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5950 CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026403.txt index 9329c952553..96f083f3412 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026403 -RECORD_TITLE: L-Alanine, L-alpha-Alanine, L-alpha-Aminopropionic acid, Ala, (S)-2-Aminopropionic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Alanine, L-alpha-Alanine, L-alpha-Aminopropionic acid, Ala, (S)-2-Aminopropionic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5950 CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026404.txt index 1c3631b0c85..a637d893c8d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026404 -RECORD_TITLE: L-Alanine, L-alpha-Alanine, L-alpha-Aminopropionic acid, Ala, (S)-2-Aminopropionic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Alanine, L-alpha-Alanine, L-alpha-Aminopropionic acid, Ala, (S)-2-Aminopropionic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5950 CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026405.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026405.txt index efb4e81fe28..cfc5be2e7f5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026405.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026405 -RECORD_TITLE: L-Alanine, L-alpha-Alanine, L-alpha-Aminopropionic acid, Ala, (S)-2-Aminopropionic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Alanine, L-alpha-Alanine, L-alpha-Aminopropionic acid, Ala, (S)-2-Aminopropionic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5950 CH$LINK: INCHIKEY QNAYBMKLOCPYGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026501.txt index c87140c011e..8283b0b2bca 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026501 -RECORD_TITLE: L-Arginine monohydrochloride, Argamine, 2-Amino-5-guanidinovaleric Acid, Levargin, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Arginine monohydrochloride, Argamine, 2-Amino-5-guanidinovaleric Acid, Levargin, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:6322 CH$LINK: INCHIKEY ODKSFYDXXFIFQN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026502.txt index daad25dddf5..75dfa26f3fa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026502 -RECORD_TITLE: L-Arginine monohydrochloride, Argamine, 2-Amino-5-guanidinovaleric Acid, Levargin, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Arginine monohydrochloride, Argamine, 2-Amino-5-guanidinovaleric Acid, Levargin, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:6322 CH$LINK: INCHIKEY ODKSFYDXXFIFQN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026503.txt index 2121e4d4838..80e6e8d5e40 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026503 -RECORD_TITLE: L-Arginine monohydrochloride, Argamine, 2-Amino-5-guanidinovaleric Acid, Levargin, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Arginine monohydrochloride, Argamine, 2-Amino-5-guanidinovaleric Acid, Levargin, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:6322 CH$LINK: INCHIKEY ODKSFYDXXFIFQN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026504.txt index bf690cea2e3..7e185e806b6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026504 -RECORD_TITLE: L-Arginine monohydrochloride, Argamine, 2-Amino-5-guanidinovaleric Acid, Levargin, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Arginine monohydrochloride, Argamine, 2-Amino-5-guanidinovaleric Acid, Levargin, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:6322 CH$LINK: INCHIKEY ODKSFYDXXFIFQN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026505.txt index 494ea34a276..7add32be452 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026505 -RECORD_TITLE: L-Arginine monohydrochloride, Argamine, 2-Amino-5-guanidinovaleric Acid, Levargin, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Arginine monohydrochloride, Argamine, 2-Amino-5-guanidinovaleric Acid, Levargin, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:6322 CH$LINK: INCHIKEY ODKSFYDXXFIFQN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026507.txt index af531f195a6..29fc602faa5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026507 -RECORD_TITLE: L-Arginine monohydrochloride, Argamine, 2-Amino-5-guanidinovaleric Acid, Levargin, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Arginine monohydrochloride, Argamine, 2-Amino-5-guanidinovaleric Acid, Levargin, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:6322 CH$LINK: INCHIKEY ODKSFYDXXFIFQN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026701.txt index e5d4e3e0cb7..d1eefba55b1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026701 -RECORD_TITLE: Asn, (S)-2-Amino-4-butanediamic Acid, L-Asparagine, L-Aspartic acid 4-amide, (S)-2-Aminosuccinic acid 4-amide, (S)-2,4-Diamino-4-oxobutanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Asn, (S)-2-Amino-4-butanediamic Acid, L-Asparagine, L-Aspartic acid 4-amide, (S)-2-Aminosuccinic acid 4-amide, (S)-2,4-Diamino-4-oxobutanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6267 CH$LINK: INCHIKEY DCXYFEDJOCDNAF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026702.txt index 285ebfae6af..448bb950450 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026702 -RECORD_TITLE: Asn, (S)-2-Amino-4-butanediamic Acid, L-Asparagine, L-Aspartic acid 4-amide, (S)-2-Aminosuccinic acid 4-amide, (S)-2,4-Diamino-4-oxobutanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Asn, (S)-2-Amino-4-butanediamic Acid, L-Asparagine, L-Aspartic acid 4-amide, (S)-2-Aminosuccinic acid 4-amide, (S)-2,4-Diamino-4-oxobutanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6267 CH$LINK: INCHIKEY DCXYFEDJOCDNAF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026703.txt index 9e42152edaf..4f25a8786f8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026703 -RECORD_TITLE: Asn, (S)-2-Amino-4-butanediamic Acid, L-Asparagine, L-Aspartic acid 4-amide, (S)-2-Aminosuccinic acid 4-amide, (S)-2,4-Diamino-4-oxobutanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Asn, (S)-2-Amino-4-butanediamic Acid, L-Asparagine, L-Aspartic acid 4-amide, (S)-2-Aminosuccinic acid 4-amide, (S)-2,4-Diamino-4-oxobutanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6267 CH$LINK: INCHIKEY DCXYFEDJOCDNAF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026801.txt index 189f5c2e358..53abe197de7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS026801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS026801 -RECORD_TITLE: (S)-(+)-Aminosuccinic acid, Asp, (S)-Aminobutanedioic acid, L-Aspartic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-(+)-Aminosuccinic acid, Asp, (S)-Aminobutanedioic acid, L-Aspartic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5960 CH$LINK: INCHIKEY CKLJMWTZIZZHCS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027001.txt index 01b60b907b3..ab731a90160 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027001 -RECORD_TITLE: L-Dicysteine, Cys, (R,R)-3,3'-Dithiobis(2-aminopropionicacid), beta.,.beta'-Dithiodialanine, L-alpha-Diamino-beta-dithiolactic acid, L-Cystine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Dicysteine, Cys, (R,R)-3,3'-Dithiobis(2-aminopropionicacid), beta.,.beta'-Dithiodialanine, L-alpha-Diamino-beta-dithiolactic acid, L-Cystine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:67678 CH$LINK: INCHIKEY LEVWYRKDKASIDU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027002.txt index 53ed0cc3801..4601451e3e5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027002 -RECORD_TITLE: L-Dicysteine, Cys, (R,R)-3,3'-Dithiobis(2-aminopropionicacid), beta.,.beta'-Dithiodialanine, L-alpha-Diamino-beta-dithiolactic acid, L-Cystine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Dicysteine, Cys, (R,R)-3,3'-Dithiobis(2-aminopropionicacid), beta.,.beta'-Dithiodialanine, L-alpha-Diamino-beta-dithiolactic acid, L-Cystine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:67678 CH$LINK: INCHIKEY LEVWYRKDKASIDU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027003.txt index 2023cb686d9..d96e4001d32 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027003 -RECORD_TITLE: L-Dicysteine, Cys, (R,R)-3,3'-Dithiobis(2-aminopropionicacid), beta.,.beta'-Dithiodialanine, L-alpha-Diamino-beta-dithiolactic acid, L-Cystine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Dicysteine, Cys, (R,R)-3,3'-Dithiobis(2-aminopropionicacid), beta.,.beta'-Dithiodialanine, L-alpha-Diamino-beta-dithiolactic acid, L-Cystine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:67678 CH$LINK: INCHIKEY LEVWYRKDKASIDU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027007.txt index 273e3c916af..6e43552d270 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027007 -RECORD_TITLE: L-Dicysteine, Cys, (R,R)-3,3'-Dithiobis(2-aminopropionicacid), beta.,.beta'-Dithiodialanine, L-alpha-Diamino-beta-dithiolactic acid, L-Cystine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Dicysteine, Cys, (R,R)-3,3'-Dithiobis(2-aminopropionicacid), beta.,.beta'-Dithiodialanine, L-alpha-Diamino-beta-dithiolactic acid, L-Cystine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:67678 CH$LINK: INCHIKEY LEVWYRKDKASIDU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027101.txt index e0456145b2b..3f1379c6401 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027101 -RECORD_TITLE: Leucylleucyltyrosine, Leucyl-leucyl-tyrosine, Leu-Leu-Tyr, LLY; LC-ESI-QQ; MS2 +RECORD_TITLE: Leucylleucyltyrosine, Leucyl-leucyl-tyrosine, Leu-Leu-Tyr, LLY; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:88513 CH$LINK: INCHIKEY UCNNZELZXFXXJQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027102.txt index 7ca18b005f0..a3813196bc0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027102 -RECORD_TITLE: Leucylleucyltyrosine, Leucyl-leucyl-tyrosine, Leu-Leu-Tyr, LLY; LC-ESI-QQ; MS2 +RECORD_TITLE: Leucylleucyltyrosine, Leucyl-leucyl-tyrosine, Leu-Leu-Tyr, LLY; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:88513 CH$LINK: INCHIKEY UCNNZELZXFXXJQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027103.txt index 01e66162c55..a678c9e61a9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027103 -RECORD_TITLE: Leucylleucyltyrosine, Leucyl-leucyl-tyrosine, Leu-Leu-Tyr, LLY; LC-ESI-QQ; MS2 +RECORD_TITLE: Leucylleucyltyrosine, Leucyl-leucyl-tyrosine, Leu-Leu-Tyr, LLY; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:88513 CH$LINK: INCHIKEY UCNNZELZXFXXJQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027104.txt index 835509533d5..624c811d072 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027104 -RECORD_TITLE: Leucylleucyltyrosine, Leucyl-leucyl-tyrosine, Leu-Leu-Tyr, LLY; LC-ESI-QQ; MS2 +RECORD_TITLE: Leucylleucyltyrosine, Leucyl-leucyl-tyrosine, Leu-Leu-Tyr, LLY; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:88513 CH$LINK: INCHIKEY UCNNZELZXFXXJQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027105.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027105.txt index a8e81c84beb..22a82353de0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027105.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027105 -RECORD_TITLE: Leucylleucyltyrosine, Leucyl-leucyl-tyrosine, Leu-Leu-Tyr, LLY; LC-ESI-QQ; MS2 +RECORD_TITLE: Leucylleucyltyrosine, Leucyl-leucyl-tyrosine, Leu-Leu-Tyr, LLY; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:88513 CH$LINK: INCHIKEY UCNNZELZXFXXJQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027106.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027106.txt index 7c738ea7dbf..2cb31ab6a7b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027106.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027106 -RECORD_TITLE: Leucylleucyltyrosine, Leucyl-leucyl-tyrosine, Leu-Leu-Tyr, LLY; LC-ESI-QQ; MS2 +RECORD_TITLE: Leucylleucyltyrosine, Leucyl-leucyl-tyrosine, Leu-Leu-Tyr, LLY; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:88513 CH$LINK: INCHIKEY UCNNZELZXFXXJQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027107.txt index 40927beb194..53c65f30a8b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027107 -RECORD_TITLE: Leucylleucyltyrosine, Leucyl-leucyl-tyrosine, Leu-Leu-Tyr, LLY; LC-ESI-QQ; MS2 +RECORD_TITLE: Leucylleucyltyrosine, Leucyl-leucyl-tyrosine, Leu-Leu-Tyr, LLY; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:88513 CH$LINK: INCHIKEY UCNNZELZXFXXJQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027108.txt index a8314ee76bb..8c8776910a9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027108 -RECORD_TITLE: Leucylleucyltyrosine, Leucyl-leucyl-tyrosine, Leu-Leu-Tyr, LLY; LC-ESI-QQ; MS2 +RECORD_TITLE: Leucylleucyltyrosine, Leucyl-leucyl-tyrosine, Leu-Leu-Tyr, LLY; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:88513 CH$LINK: INCHIKEY UCNNZELZXFXXJQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027109.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027109.txt index c9a782b8690..509d8c74b41 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027109.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027109 -RECORD_TITLE: Leucylleucyltyrosine, Leucyl-leucyl-tyrosine, Leu-Leu-Tyr, LLY; LC-ESI-QQ; MS2 +RECORD_TITLE: Leucylleucyltyrosine, Leucyl-leucyl-tyrosine, Leu-Leu-Tyr, LLY; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:88513 CH$LINK: INCHIKEY UCNNZELZXFXXJQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027201.txt index 7eed303d9e0..094f6f67b1c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027201 -RECORD_TITLE: L-Glutamate, Glu, 1-Aminopropane-1,3-dicarboxylic acid, Glutacid, Glusate, L-1-Aminopropane-1,3-dicarboxylic Acid, L-Glutamic acid, Aciglut, Glutaminol, (S)-2-Aminopentanedioic acid, alpha-Glutamic acid, L-alpha-Aminoglutaric Acid, Glutaton; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Glutamate, Glu, 1-Aminopropane-1,3-dicarboxylic acid, Glutacid, Glusate, L-1-Aminopropane-1,3-dicarboxylic Acid, L-Glutamic acid, Aciglut, Glutaminol, (S)-2-Aminopentanedioic acid, alpha-Glutamic acid, L-alpha-Aminoglutaric Acid, Glutaton; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -36,7 +36,7 @@ CH$LINK: PUBCHEM CID:33032 CH$LINK: INCHIKEY WHUUTDBJXJRKMK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027202.txt index bc3ef80971f..f19ba462906 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027202 -RECORD_TITLE: L-Glutamate, Glu, 1-Aminopropane-1,3-dicarboxylic acid, Glutacid, Glusate, L-1-Aminopropane-1,3-dicarboxylic Acid, L-Glutamic acid, Aciglut, Glutaminol, (S)-2-Aminopentanedioic acid, alpha-Glutamic acid, L-alpha-Aminoglutaric Acid, Glutaton; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Glutamate, Glu, 1-Aminopropane-1,3-dicarboxylic acid, Glutacid, Glusate, L-1-Aminopropane-1,3-dicarboxylic Acid, L-Glutamic acid, Aciglut, Glutaminol, (S)-2-Aminopentanedioic acid, alpha-Glutamic acid, L-alpha-Aminoglutaric Acid, Glutaton; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -36,7 +36,7 @@ CH$LINK: PUBCHEM CID:33032 CH$LINK: INCHIKEY WHUUTDBJXJRKMK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027203.txt index 01644b2f231..aa48a8788a3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027203 -RECORD_TITLE: L-Glutamate, Glu, 1-Aminopropane-1,3-dicarboxylic acid, Glutacid, Glusate, L-1-Aminopropane-1,3-dicarboxylic Acid, L-Glutamic acid, Aciglut, Glutaminol, (S)-2-Aminopentanedioic acid, alpha-Glutamic acid, L-alpha-Aminoglutaric Acid, Glutaton; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Glutamate, Glu, 1-Aminopropane-1,3-dicarboxylic acid, Glutacid, Glusate, L-1-Aminopropane-1,3-dicarboxylic Acid, L-Glutamic acid, Aciglut, Glutaminol, (S)-2-Aminopentanedioic acid, alpha-Glutamic acid, L-alpha-Aminoglutaric Acid, Glutaton; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -36,7 +36,7 @@ CH$LINK: PUBCHEM CID:33032 CH$LINK: INCHIKEY WHUUTDBJXJRKMK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027204.txt index a853c6ac50f..d8ca77f4ce9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027204 -RECORD_TITLE: L-Glutamate, Glu, 1-Aminopropane-1,3-dicarboxylic acid, Glutacid, Glusate, L-1-Aminopropane-1,3-dicarboxylic Acid, L-Glutamic acid, Aciglut, Glutaminol, (S)-2-Aminopentanedioic acid, alpha-Glutamic acid, L-alpha-Aminoglutaric Acid, Glutaton; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Glutamate, Glu, 1-Aminopropane-1,3-dicarboxylic acid, Glutacid, Glusate, L-1-Aminopropane-1,3-dicarboxylic Acid, L-Glutamic acid, Aciglut, Glutaminol, (S)-2-Aminopentanedioic acid, alpha-Glutamic acid, L-alpha-Aminoglutaric Acid, Glutaton; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -36,7 +36,7 @@ CH$LINK: PUBCHEM CID:33032 CH$LINK: INCHIKEY WHUUTDBJXJRKMK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027301.txt index 87b3995a59f..be03f84d3b3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027301 -RECORD_TITLE: L-Glutamic acid 5-amide, Levoglutamide, Cebrogen, L-2-Aminoglutaramic acid, Q, Glumin, (S)-2,5-Diamino-5-oxopentanoic acid, L-Glutamine, Gln; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Glutamic acid 5-amide, Levoglutamide, Cebrogen, L-2-Aminoglutaramic acid, Q, Glumin, (S)-2,5-Diamino-5-oxopentanoic acid, L-Glutamine, Gln; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5961 CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027302.txt index 4231daab821..4797b4db694 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027302 -RECORD_TITLE: L-Glutamic acid 5-amide, Levoglutamide, Cebrogen, L-2-Aminoglutaramic acid, Q, Glumin, (S)-2,5-Diamino-5-oxopentanoic acid, L-Glutamine, Gln; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Glutamic acid 5-amide, Levoglutamide, Cebrogen, L-2-Aminoglutaramic acid, Q, Glumin, (S)-2,5-Diamino-5-oxopentanoic acid, L-Glutamine, Gln; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5961 CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027303.txt index e63c88e945b..aa5453e28b2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027303 -RECORD_TITLE: L-Glutamic acid 5-amide, Levoglutamide, Cebrogen, L-2-Aminoglutaramic acid, Q, Glumin, (S)-2,5-Diamino-5-oxopentanoic acid, L-Glutamine, Gln; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Glutamic acid 5-amide, Levoglutamide, Cebrogen, L-2-Aminoglutaramic acid, Q, Glumin, (S)-2,5-Diamino-5-oxopentanoic acid, L-Glutamine, Gln; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5961 CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027304.txt index f05ce3f710f..d5e6ebd18f1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027304 -RECORD_TITLE: L-Glutamic acid 5-amide, Levoglutamide, Cebrogen, L-2-Aminoglutaramic acid, Q, Glumin, (S)-2,5-Diamino-5-oxopentanoic acid, L-Glutamine, Gln; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Glutamic acid 5-amide, Levoglutamide, Cebrogen, L-2-Aminoglutaramic acid, Q, Glumin, (S)-2,5-Diamino-5-oxopentanoic acid, L-Glutamine, Gln; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5961 CH$LINK: INCHIKEY ZDXPYRJPNDTMRX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027401.txt index 389e520b8f6..95935e2b1da 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027401 -RECORD_TITLE: L-Glutathione (reduced form), gamma-Glu-Cys-Gly, GSH, gamma-L-Glutamyl-L-cysteinyl-glycine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Glutathione (reduced form), gamma-Glu-Cys-Gly, GSH, gamma-L-Glutamyl-L-cysteinyl-glycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:124886 CH$LINK: INCHIKEY RWSXRVCMGQZWBV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027403.txt index b5d1bef1c3d..80e48884db6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027403 -RECORD_TITLE: L-Glutathione (reduced form), gamma-Glu-Cys-Gly, GSH, gamma-L-Glutamyl-L-cysteinyl-glycine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Glutathione (reduced form), gamma-Glu-Cys-Gly, GSH, gamma-L-Glutamyl-L-cysteinyl-glycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:124886 CH$LINK: INCHIKEY RWSXRVCMGQZWBV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027404.txt index be018e446e3..190fde1e85c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027404 -RECORD_TITLE: L-Glutathione (reduced form), gamma-Glu-Cys-Gly, GSH, gamma-L-Glutamyl-L-cysteinyl-glycine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Glutathione (reduced form), gamma-Glu-Cys-Gly, GSH, gamma-L-Glutamyl-L-cysteinyl-glycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:124886 CH$LINK: INCHIKEY RWSXRVCMGQZWBV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027405.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027405.txt index 0ebd4859dac..2483c2ad2f4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027405.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027405 -RECORD_TITLE: L-Glutathione (reduced form), gamma-Glu-Cys-Gly, GSH, gamma-L-Glutamyl-L-cysteinyl-glycine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Glutathione (reduced form), gamma-Glu-Cys-Gly, GSH, gamma-L-Glutamyl-L-cysteinyl-glycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:124886 CH$LINK: INCHIKEY RWSXRVCMGQZWBV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027407.txt index 1f967233764..0a889eada1f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027407 -RECORD_TITLE: L-Glutathione (reduced form), gamma-Glu-Cys-Gly, GSH, gamma-L-Glutamyl-L-cysteinyl-glycine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Glutathione (reduced form), gamma-Glu-Cys-Gly, GSH, gamma-L-Glutamyl-L-cysteinyl-glycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:124886 CH$LINK: INCHIKEY RWSXRVCMGQZWBV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027408.txt index 904017945cd..f946ffe3fc0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027408 -RECORD_TITLE: L-Glutathione (reduced form), gamma-Glu-Cys-Gly, GSH, gamma-L-Glutamyl-L-cysteinyl-glycine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Glutathione (reduced form), gamma-Glu-Cys-Gly, GSH, gamma-L-Glutamyl-L-cysteinyl-glycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:124886 CH$LINK: INCHIKEY RWSXRVCMGQZWBV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027501.txt index d4cca8050d9..fc5c2fc9a7e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027501 -RECORD_TITLE: L-Histidinol dihydrochloride, (S)-2-Amino-3-(4-imidazolyl)propanol dihydrochloride, L-His-ol, beta-Aminoimidazole-4-propanol dihydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Histidinol dihydrochloride, (S)-2-Amino-3-(4-imidazolyl)propanol dihydrochloride, L-His-ol, beta-Aminoimidazole-4-propanol dihydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:165271 CH$LINK: INCHIKEY ZQISRDCJNBUVMM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027502.txt index 83ed231d7aa..85df899710e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027502 -RECORD_TITLE: L-Histidinol dihydrochloride, (S)-2-Amino-3-(4-imidazolyl)propanol dihydrochloride, L-His-ol, beta-Aminoimidazole-4-propanol dihydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Histidinol dihydrochloride, (S)-2-Amino-3-(4-imidazolyl)propanol dihydrochloride, L-His-ol, beta-Aminoimidazole-4-propanol dihydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:165271 CH$LINK: INCHIKEY ZQISRDCJNBUVMM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027503.txt index df9b0fe32fc..bd3afa860d8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027503 -RECORD_TITLE: L-Histidinol dihydrochloride, (S)-2-Amino-3-(4-imidazolyl)propanol dihydrochloride, L-His-ol, beta-Aminoimidazole-4-propanol dihydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Histidinol dihydrochloride, (S)-2-Amino-3-(4-imidazolyl)propanol dihydrochloride, L-His-ol, beta-Aminoimidazole-4-propanol dihydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:165271 CH$LINK: INCHIKEY ZQISRDCJNBUVMM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027504.txt index 0df5b6a329d..8b9e90ca5ba 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027504 -RECORD_TITLE: L-Histidinol dihydrochloride, (S)-2-Amino-3-(4-imidazolyl)propanol dihydrochloride, L-His-ol, beta-Aminoimidazole-4-propanol dihydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Histidinol dihydrochloride, (S)-2-Amino-3-(4-imidazolyl)propanol dihydrochloride, L-His-ol, beta-Aminoimidazole-4-propanol dihydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:165271 CH$LINK: INCHIKEY ZQISRDCJNBUVMM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027601.txt index 45035920751..705f1711408 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027601 -RECORD_TITLE: L-Homocarnosine, GABA-His, gamma-aminobutyrylhistidine, gamma-Aminobutyryl-L-histidine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Homocarnosine, GABA-His, gamma-aminobutyrylhistidine, gamma-Aminobutyryl-L-histidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:89235 CH$LINK: INCHIKEY CCLQKVKJOGVQLU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027602.txt index 871c26ccd8c..bc6ec3650e9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027602 -RECORD_TITLE: L-Homocarnosine, GABA-His, gamma-aminobutyrylhistidine, gamma-Aminobutyryl-L-histidine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Homocarnosine, GABA-His, gamma-aminobutyrylhistidine, gamma-Aminobutyryl-L-histidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:89235 CH$LINK: INCHIKEY CCLQKVKJOGVQLU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027603.txt index ac2b9032c3c..58c63a20ca3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027603 -RECORD_TITLE: L-Homocarnosine, GABA-His, gamma-aminobutyrylhistidine, gamma-Aminobutyryl-L-histidine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Homocarnosine, GABA-His, gamma-aminobutyrylhistidine, gamma-Aminobutyryl-L-histidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:89235 CH$LINK: INCHIKEY CCLQKVKJOGVQLU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027604.txt index 15d10c773b8..ba8b2cfd776 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027604 -RECORD_TITLE: L-Homocarnosine, GABA-His, gamma-aminobutyrylhistidine, gamma-Aminobutyryl-L-histidine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Homocarnosine, GABA-His, gamma-aminobutyrylhistidine, gamma-Aminobutyryl-L-histidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:89235 CH$LINK: INCHIKEY CCLQKVKJOGVQLU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027607.txt index 0ca62268b76..0eab1dc54ef 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027607 -RECORD_TITLE: L-Homocarnosine, GABA-His, gamma-aminobutyrylhistidine, gamma-Aminobutyryl-L-histidine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Homocarnosine, GABA-His, gamma-aminobutyrylhistidine, gamma-Aminobutyryl-L-histidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:89235 CH$LINK: INCHIKEY CCLQKVKJOGVQLU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027608.txt index f1cd3df8626..a67076ee0c2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027608 -RECORD_TITLE: L-Homocarnosine, GABA-His, gamma-aminobutyrylhistidine, gamma-Aminobutyryl-L-histidine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Homocarnosine, GABA-His, gamma-aminobutyrylhistidine, gamma-Aminobutyryl-L-histidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:89235 CH$LINK: INCHIKEY CCLQKVKJOGVQLU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027701.txt index 6cc6c974a88..6dd668b6a13 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027701 -RECORD_TITLE: L-Homocystine, L-4,4'-Dithiobis(2-aminobutanoic acid), Hcy2; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Homocystine, L-4,4'-Dithiobis(2-aminobutanoic acid), Hcy2; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439579 CH$LINK: INCHIKEY ZTVZLYBCZNMWCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027702.txt index 5189801b232..2da5b7d2d60 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027702 -RECORD_TITLE: L-Homocystine, L-4,4'-Dithiobis(2-aminobutanoic acid), Hcy2; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Homocystine, L-4,4'-Dithiobis(2-aminobutanoic acid), Hcy2; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439579 CH$LINK: INCHIKEY ZTVZLYBCZNMWCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027706.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027706.txt index a0ab8d03a8e..1343bf2cdfa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027706.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027706.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027706 -RECORD_TITLE: L-Homocystine, L-4,4'-Dithiobis(2-aminobutanoic acid), Hcy2; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Homocystine, L-4,4'-Dithiobis(2-aminobutanoic acid), Hcy2; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439579 CH$LINK: INCHIKEY ZTVZLYBCZNMWCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027801.txt index c5ca129d27c..3289211e011 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027801 -RECORD_TITLE: Lin, Linoleic acid, Telfairic acid, cis-9,12-Octadecadienoic acid, alpha-Linoleic acid, Linoleate, alpha-Lin, C18:2n-6(9,12); LC-ESI-QQ; MS2 +RECORD_TITLE: Lin, Linoleic acid, Telfairic acid, cis-9,12-Octadecadienoic acid, alpha-Linoleic acid, Linoleate, alpha-Lin, C18:2n-6(9,12); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280450 CH$LINK: INCHIKEY OYHQOLUKZRVURQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000504; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027802.txt index 0a3c3365b77..e9bbe6911a4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027802 -RECORD_TITLE: Lin, Linoleic acid, Telfairic acid, cis-9,12-Octadecadienoic acid, alpha-Linoleic acid, Linoleate, alpha-Lin, C18:2n-6(9,12); LC-ESI-QQ; MS2 +RECORD_TITLE: Lin, Linoleic acid, Telfairic acid, cis-9,12-Octadecadienoic acid, alpha-Linoleic acid, Linoleate, alpha-Lin, C18:2n-6(9,12); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280450 CH$LINK: INCHIKEY OYHQOLUKZRVURQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000504; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027803.txt index 4b0455915cd..79de6a280b2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027803 -RECORD_TITLE: Lin, Linoleic acid, Telfairic acid, cis-9,12-Octadecadienoic acid, alpha-Linoleic acid, Linoleate, alpha-Lin, C18:2n-6(9,12); LC-ESI-QQ; MS2 +RECORD_TITLE: Lin, Linoleic acid, Telfairic acid, cis-9,12-Octadecadienoic acid, alpha-Linoleic acid, Linoleate, alpha-Lin, C18:2n-6(9,12); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280450 CH$LINK: INCHIKEY OYHQOLUKZRVURQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000504; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027804.txt index 27e177479a6..3615ac4fd4e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS027804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS027804 -RECORD_TITLE: Lin, Linoleic acid, Telfairic acid, cis-9,12-Octadecadienoic acid, alpha-Linoleic acid, Linoleate, alpha-Lin, C18:2n-6(9,12); LC-ESI-QQ; MS2 +RECORD_TITLE: Lin, Linoleic acid, Telfairic acid, cis-9,12-Octadecadienoic acid, alpha-Linoleic acid, Linoleate, alpha-Lin, C18:2n-6(9,12); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280450 CH$LINK: INCHIKEY OYHQOLUKZRVURQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000504; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028001.txt index c1cad24def1..457f4c69838 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028001 -RECORD_TITLE: (2S,3S)-2-Amino-3-methylpentanoic acid, L-Isoleucine, iLe, alpha-Amino-beta-methylvaleric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (2S,3S)-2-Amino-3-methylpentanoic acid, L-Isoleucine, iLe, alpha-Amino-beta-methylvaleric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:6306 CH$LINK: INCHIKEY AGPKZVBTJJNPAG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028002.txt index 5cd2dd17d86..3c798e8bbda 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028002 -RECORD_TITLE: (2S,3S)-2-Amino-3-methylpentanoic acid, L-Isoleucine, iLe, alpha-Amino-beta-methylvaleric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (2S,3S)-2-Amino-3-methylpentanoic acid, L-Isoleucine, iLe, alpha-Amino-beta-methylvaleric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:6306 CH$LINK: INCHIKEY AGPKZVBTJJNPAG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028003.txt index 3ec09d67f5f..c6a9e600cd8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028003 -RECORD_TITLE: (2S,3S)-2-Amino-3-methylpentanoic acid, L-Isoleucine, iLe, alpha-Amino-beta-methylvaleric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (2S,3S)-2-Amino-3-methylpentanoic acid, L-Isoleucine, iLe, alpha-Amino-beta-methylvaleric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:6306 CH$LINK: INCHIKEY AGPKZVBTJJNPAG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028101.txt index 9720009df9a..1ad2a5b63c3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028101 -RECORD_TITLE: L-Lysine monohydrochloride, Lysine acid, Lys, (S)-2,6-Diaminohexanoic acid monohydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Lysine monohydrochloride, Lysine acid, Lys, (S)-2,6-Diaminohexanoic acid monohydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5962 CH$LINK: INCHIKEY KDXKERNSBIXSRK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028102.txt index df1c9c69452..f47bebb4843 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028102 -RECORD_TITLE: L-Lysine monohydrochloride, Lysine acid, Lys, (S)-2,6-Diaminohexanoic acid monohydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Lysine monohydrochloride, Lysine acid, Lys, (S)-2,6-Diaminohexanoic acid monohydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5962 CH$LINK: INCHIKEY KDXKERNSBIXSRK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028103.txt index 207758cd2e0..1b7addceb92 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028103 -RECORD_TITLE: L-Lysine monohydrochloride, Lysine acid, Lys, (S)-2,6-Diaminohexanoic acid monohydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Lysine monohydrochloride, Lysine acid, Lys, (S)-2,6-Diaminohexanoic acid monohydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5962 CH$LINK: INCHIKEY KDXKERNSBIXSRK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028104.txt index 46877bf0b07..bfadbe183f8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028104 -RECORD_TITLE: L-Lysine monohydrochloride, Lysine acid, Lys, (S)-2,6-Diaminohexanoic acid monohydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Lysine monohydrochloride, Lysine acid, Lys, (S)-2,6-Diaminohexanoic acid monohydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5962 CH$LINK: INCHIKEY KDXKERNSBIXSRK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028106.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028106.txt index 090e7557c37..925a8e22473 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028106.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028106 -RECORD_TITLE: L-Lysine monohydrochloride, Lysine acid, Lys, (S)-2,6-Diaminohexanoic acid monohydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Lysine monohydrochloride, Lysine acid, Lys, (S)-2,6-Diaminohexanoic acid monohydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5962 CH$LINK: INCHIKEY KDXKERNSBIXSRK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028201.txt index e0d666f4794..eee867f65c2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028201 -RECORD_TITLE: OMT, L-Lobamine Sulfone, L-Methionine S-dioxide, Met(O2), L-Methionine sulfone, L-2-Amino-4-(methylsulfonyl)butanoic acid, L-Banthionine Sulfone; LC-ESI-QQ; MS2 +RECORD_TITLE: OMT, L-Lobamine Sulfone, L-Methionine S-dioxide, Met(O2), L-Methionine sulfone, L-2-Amino-4-(methylsulfonyl)butanoic acid, L-Banthionine Sulfone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:445282 CH$LINK: INCHIKEY UCUNFLYVYCGDHP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028202.txt index c1f8ff48a47..06ed7926304 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028202 -RECORD_TITLE: OMT, L-Lobamine Sulfone, L-Methionine S-dioxide, Met(O2), L-Methionine sulfone, L-2-Amino-4-(methylsulfonyl)butanoic acid, L-Banthionine Sulfone; LC-ESI-QQ; MS2 +RECORD_TITLE: OMT, L-Lobamine Sulfone, L-Methionine S-dioxide, Met(O2), L-Methionine sulfone, L-2-Amino-4-(methylsulfonyl)butanoic acid, L-Banthionine Sulfone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:445282 CH$LINK: INCHIKEY UCUNFLYVYCGDHP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028203.txt index 8c5fb07a2c3..b95be35adb2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028203 -RECORD_TITLE: OMT, L-Lobamine Sulfone, L-Methionine S-dioxide, Met(O2), L-Methionine sulfone, L-2-Amino-4-(methylsulfonyl)butanoic acid, L-Banthionine Sulfone; LC-ESI-QQ; MS2 +RECORD_TITLE: OMT, L-Lobamine Sulfone, L-Methionine S-dioxide, Met(O2), L-Methionine sulfone, L-2-Amino-4-(methylsulfonyl)butanoic acid, L-Banthionine Sulfone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:445282 CH$LINK: INCHIKEY UCUNFLYVYCGDHP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028204.txt index 1a40c413d40..0a989726800 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028204 -RECORD_TITLE: OMT, L-Lobamine Sulfone, L-Methionine S-dioxide, Met(O2), L-Methionine sulfone, L-2-Amino-4-(methylsulfonyl)butanoic acid, L-Banthionine Sulfone; LC-ESI-QQ; MS2 +RECORD_TITLE: OMT, L-Lobamine Sulfone, L-Methionine S-dioxide, Met(O2), L-Methionine sulfone, L-2-Amino-4-(methylsulfonyl)butanoic acid, L-Banthionine Sulfone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:445282 CH$LINK: INCHIKEY UCUNFLYVYCGDHP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028205.txt index ef571ae0b7d..5947718c132 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028205 -RECORD_TITLE: OMT, L-Lobamine Sulfone, L-Methionine S-dioxide, Met(O2), L-Methionine sulfone, L-2-Amino-4-(methylsulfonyl)butanoic acid, L-Banthionine Sulfone; LC-ESI-QQ; MS2 +RECORD_TITLE: OMT, L-Lobamine Sulfone, L-Methionine S-dioxide, Met(O2), L-Methionine sulfone, L-2-Amino-4-(methylsulfonyl)butanoic acid, L-Banthionine Sulfone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:445282 CH$LINK: INCHIKEY UCUNFLYVYCGDHP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028206.txt index a0ffabbb385..1c2bbb7a188 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028206 -RECORD_TITLE: OMT, L-Lobamine Sulfone, L-Methionine S-dioxide, Met(O2), L-Methionine sulfone, L-2-Amino-4-(methylsulfonyl)butanoic acid, L-Banthionine Sulfone; LC-ESI-QQ; MS2 +RECORD_TITLE: OMT, L-Lobamine Sulfone, L-Methionine S-dioxide, Met(O2), L-Methionine sulfone, L-2-Amino-4-(methylsulfonyl)butanoic acid, L-Banthionine Sulfone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:445282 CH$LINK: INCHIKEY UCUNFLYVYCGDHP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028207.txt index 2881247e3b4..3c36f946884 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028207 -RECORD_TITLE: OMT, L-Lobamine Sulfone, L-Methionine S-dioxide, Met(O2), L-Methionine sulfone, L-2-Amino-4-(methylsulfonyl)butanoic acid, L-Banthionine Sulfone; LC-ESI-QQ; MS2 +RECORD_TITLE: OMT, L-Lobamine Sulfone, L-Methionine S-dioxide, Met(O2), L-Methionine sulfone, L-2-Amino-4-(methylsulfonyl)butanoic acid, L-Banthionine Sulfone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:445282 CH$LINK: INCHIKEY UCUNFLYVYCGDHP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028208.txt index 786d50a9903..9c2cfae4dcc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028208 -RECORD_TITLE: OMT, L-Lobamine Sulfone, L-Methionine S-dioxide, Met(O2), L-Methionine sulfone, L-2-Amino-4-(methylsulfonyl)butanoic acid, L-Banthionine Sulfone; LC-ESI-QQ; MS2 +RECORD_TITLE: OMT, L-Lobamine Sulfone, L-Methionine S-dioxide, Met(O2), L-Methionine sulfone, L-2-Amino-4-(methylsulfonyl)butanoic acid, L-Banthionine Sulfone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:445282 CH$LINK: INCHIKEY UCUNFLYVYCGDHP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028209.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028209.txt index d6d30129c1d..a1225e75504 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028209.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028209 -RECORD_TITLE: OMT, L-Lobamine Sulfone, L-Methionine S-dioxide, Met(O2), L-Methionine sulfone, L-2-Amino-4-(methylsulfonyl)butanoic acid, L-Banthionine Sulfone; LC-ESI-QQ; MS2 +RECORD_TITLE: OMT, L-Lobamine Sulfone, L-Methionine S-dioxide, Met(O2), L-Methionine sulfone, L-2-Amino-4-(methylsulfonyl)butanoic acid, L-Banthionine Sulfone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:445282 CH$LINK: INCHIKEY UCUNFLYVYCGDHP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028301.txt index 9ab7b948f1c..4acf4734d63 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028301 -RECORD_TITLE: L-Norleucine, Nle, alpha-Aminocaproic acid, (S)-(+)-2-Aminohexanoic acid, (S)-2-Aminocaproic acid, Norleucine, Glycoleucine, Caprine, L-2-Aminohexanoate; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Norleucine, Nle, alpha-Aminocaproic acid, (S)-(+)-2-Aminohexanoic acid, (S)-2-Aminocaproic acid, Norleucine, Glycoleucine, Caprine, L-2-Aminohexanoate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:21236 CH$LINK: INCHIKEY LRQKBLKVPFOOQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028302.txt index 0c442245213..04e8a243657 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028302 -RECORD_TITLE: L-Norleucine, Nle, alpha-Aminocaproic acid, (S)-(+)-2-Aminohexanoic acid, (S)-2-Aminocaproic acid, Norleucine, Glycoleucine, Caprine, L-2-Aminohexanoate; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Norleucine, Nle, alpha-Aminocaproic acid, (S)-(+)-2-Aminohexanoic acid, (S)-2-Aminocaproic acid, Norleucine, Glycoleucine, Caprine, L-2-Aminohexanoate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:21236 CH$LINK: INCHIKEY LRQKBLKVPFOOQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028303.txt index f982250edfb..996b395d697 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028303 -RECORD_TITLE: L-Norleucine, Nle, alpha-Aminocaproic acid, (S)-(+)-2-Aminohexanoic acid, (S)-2-Aminocaproic acid, Norleucine, Glycoleucine, Caprine, L-2-Aminohexanoate; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Norleucine, Nle, alpha-Aminocaproic acid, (S)-(+)-2-Aminohexanoic acid, (S)-2-Aminocaproic acid, Norleucine, Glycoleucine, Caprine, L-2-Aminohexanoate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:21236 CH$LINK: INCHIKEY LRQKBLKVPFOOQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028304.txt index af0f233c141..4e5e7646838 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028304 -RECORD_TITLE: L-Norleucine, Nle, alpha-Aminocaproic acid, (S)-(+)-2-Aminohexanoic acid, (S)-2-Aminocaproic acid, Norleucine, Glycoleucine, Caprine, L-2-Aminohexanoate; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Norleucine, Nle, alpha-Aminocaproic acid, (S)-(+)-2-Aminohexanoic acid, (S)-2-Aminocaproic acid, Norleucine, Glycoleucine, Caprine, L-2-Aminohexanoate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:21236 CH$LINK: INCHIKEY LRQKBLKVPFOOQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028401.txt index ec14f5fa15a..3f1b56d5241 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028401 -RECORD_TITLE: Nva, L-2-Aminovaleric acid, (S)-2-Aminovaleric acid, (S)-(+)-2-Aminopentanoic acid, L-Norvaline; LC-ESI-QQ; MS2 +RECORD_TITLE: Nva, L-2-Aminovaleric acid, (S)-2-Aminovaleric acid, (S)-(+)-2-Aminopentanoic acid, L-Norvaline; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:65098 CH$LINK: INCHIKEY SNDPXSYFESPGGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028402.txt index c0528d7c4c8..ced4625083f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028402 -RECORD_TITLE: Nva, L-2-Aminovaleric acid, (S)-2-Aminovaleric acid, (S)-(+)-2-Aminopentanoic acid, L-Norvaline; LC-ESI-QQ; MS2 +RECORD_TITLE: Nva, L-2-Aminovaleric acid, (S)-2-Aminovaleric acid, (S)-(+)-2-Aminopentanoic acid, L-Norvaline; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:65098 CH$LINK: INCHIKEY SNDPXSYFESPGGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028403.txt index 6dc55598e7f..71ae542bd63 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028403 -RECORD_TITLE: Nva, L-2-Aminovaleric acid, (S)-2-Aminovaleric acid, (S)-(+)-2-Aminopentanoic acid, L-Norvaline; LC-ESI-QQ; MS2 +RECORD_TITLE: Nva, L-2-Aminovaleric acid, (S)-2-Aminovaleric acid, (S)-(+)-2-Aminopentanoic acid, L-Norvaline; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:65098 CH$LINK: INCHIKEY SNDPXSYFESPGGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028404.txt index 8d3c40c87e2..0493e230874 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028404 -RECORD_TITLE: Nva, L-2-Aminovaleric acid, (S)-2-Aminovaleric acid, (S)-(+)-2-Aminopentanoic acid, L-Norvaline; LC-ESI-QQ; MS2 +RECORD_TITLE: Nva, L-2-Aminovaleric acid, (S)-2-Aminovaleric acid, (S)-(+)-2-Aminopentanoic acid, L-Norvaline; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:65098 CH$LINK: INCHIKEY SNDPXSYFESPGGJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028501.txt index cccaf2bdbdf..91e105306f8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028501 -RECORD_TITLE: (S)-2,5-Diaminopentanoate, L-2,5-Diaminovaleric Acid Monohydrochloride, Orn, L-Ornithine monohydrochloride, (S)-2,5-Diaminopentanoic acid monohydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-2,5-Diaminopentanoate, L-2,5-Diaminovaleric Acid Monohydrochloride, Orn, L-Ornithine monohydrochloride, (S)-2,5-Diaminopentanoic acid monohydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6262 CH$LINK: INCHIKEY AHLPHDHHMVZTML-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028502.txt index ae09a865759..4e5626cb4db 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028502 -RECORD_TITLE: (S)-2,5-Diaminopentanoate, L-2,5-Diaminovaleric Acid Monohydrochloride, Orn, L-Ornithine monohydrochloride, (S)-2,5-Diaminopentanoic acid monohydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-2,5-Diaminopentanoate, L-2,5-Diaminovaleric Acid Monohydrochloride, Orn, L-Ornithine monohydrochloride, (S)-2,5-Diaminopentanoic acid monohydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6262 CH$LINK: INCHIKEY AHLPHDHHMVZTML-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028503.txt index 9f821867dd8..c03f2d58e78 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028503 -RECORD_TITLE: (S)-2,5-Diaminopentanoate, L-2,5-Diaminovaleric Acid Monohydrochloride, Orn, L-Ornithine monohydrochloride, (S)-2,5-Diaminopentanoic acid monohydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-2,5-Diaminopentanoate, L-2,5-Diaminovaleric Acid Monohydrochloride, Orn, L-Ornithine monohydrochloride, (S)-2,5-Diaminopentanoic acid monohydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6262 CH$LINK: INCHIKEY AHLPHDHHMVZTML-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028504.txt index e96598e4d33..a18f81e29ca 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028504 -RECORD_TITLE: (S)-2,5-Diaminopentanoate, L-2,5-Diaminovaleric Acid Monohydrochloride, Orn, L-Ornithine monohydrochloride, (S)-2,5-Diaminopentanoic acid monohydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-2,5-Diaminopentanoate, L-2,5-Diaminovaleric Acid Monohydrochloride, Orn, L-Ornithine monohydrochloride, (S)-2,5-Diaminopentanoic acid monohydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6262 CH$LINK: INCHIKEY AHLPHDHHMVZTML-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028601.txt index 9d5d4efe005..fa79aac9d11 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028601 -RECORD_TITLE: L-Proline, (S)-Pyrrolidine-2-carboxylic acid, Pro, 2-Pyrrolidinecarboxylic acid, Pyrrolidine-2-carboxylic acid, L-alpha-Pyrrolidinecarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Proline, (S)-Pyrrolidine-2-carboxylic acid, Pro, 2-Pyrrolidinecarboxylic acid, Pyrrolidine-2-carboxylic acid, L-alpha-Pyrrolidinecarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:145742 CH$LINK: INCHIKEY ONIBWKKTOPOVIA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028602.txt index 462d0a9572f..0e88a75f25a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028602 -RECORD_TITLE: L-Proline, (S)-Pyrrolidine-2-carboxylic acid, Pro, 2-Pyrrolidinecarboxylic acid, Pyrrolidine-2-carboxylic acid, L-alpha-Pyrrolidinecarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Proline, (S)-Pyrrolidine-2-carboxylic acid, Pro, 2-Pyrrolidinecarboxylic acid, Pyrrolidine-2-carboxylic acid, L-alpha-Pyrrolidinecarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:145742 CH$LINK: INCHIKEY ONIBWKKTOPOVIA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028603.txt index e4578242ff3..e46a1be6d4f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028603 -RECORD_TITLE: L-Proline, (S)-Pyrrolidine-2-carboxylic acid, Pro, 2-Pyrrolidinecarboxylic acid, Pyrrolidine-2-carboxylic acid, L-alpha-Pyrrolidinecarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Proline, (S)-Pyrrolidine-2-carboxylic acid, Pro, 2-Pyrrolidinecarboxylic acid, Pyrrolidine-2-carboxylic acid, L-alpha-Pyrrolidinecarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:145742 CH$LINK: INCHIKEY ONIBWKKTOPOVIA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028604.txt index f135543cff5..c46e044058f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028604 -RECORD_TITLE: L-Proline, (S)-Pyrrolidine-2-carboxylic acid, Pro, 2-Pyrrolidinecarboxylic acid, Pyrrolidine-2-carboxylic acid, L-alpha-Pyrrolidinecarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Proline, (S)-Pyrrolidine-2-carboxylic acid, Pro, 2-Pyrrolidinecarboxylic acid, Pyrrolidine-2-carboxylic acid, L-alpha-Pyrrolidinecarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:145742 CH$LINK: INCHIKEY ONIBWKKTOPOVIA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028605.txt index 2ec4ab6befc..38c3f0d35a4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028605 -RECORD_TITLE: L-Proline, (S)-Pyrrolidine-2-carboxylic acid, Pro, 2-Pyrrolidinecarboxylic acid, Pyrrolidine-2-carboxylic acid, L-alpha-Pyrrolidinecarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Proline, (S)-Pyrrolidine-2-carboxylic acid, Pro, 2-Pyrrolidinecarboxylic acid, Pyrrolidine-2-carboxylic acid, L-alpha-Pyrrolidinecarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:145742 CH$LINK: INCHIKEY ONIBWKKTOPOVIA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028606.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028606.txt index d03847171d3..e13e13a1ea7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028606.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028606.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028606 -RECORD_TITLE: L-Proline, (S)-Pyrrolidine-2-carboxylic acid, Pro, 2-Pyrrolidinecarboxylic acid, Pyrrolidine-2-carboxylic acid, L-alpha-Pyrrolidinecarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Proline, (S)-Pyrrolidine-2-carboxylic acid, Pro, 2-Pyrrolidinecarboxylic acid, Pyrrolidine-2-carboxylic acid, L-alpha-Pyrrolidinecarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:145742 CH$LINK: INCHIKEY ONIBWKKTOPOVIA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028701.txt index 181b44d247d..bf307c124f3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028701 -RECORD_TITLE: L-a-Aminoglutaric Acid Lactam, (S)-5-Oxo-2-pyrrolidinecarboxylic acid, pyroGlu, Pidolic acid, L-Pyroglutamic acid, L-Glutimic acid, Pyroglutamate, (S)-(?)-2-Pyrrolidone-5-carboxylic acid, L-5-Oxo-2-pyrrolidinecarboxylic acid, L-5-Oxoproline, pGlu; LC-ESI-QQ; MS2 +RECORD_TITLE: L-a-Aminoglutaric Acid Lactam, (S)-5-Oxo-2-pyrrolidinecarboxylic acid, pyroGlu, Pidolic acid, L-Pyroglutamic acid, L-Glutimic acid, Pyroglutamate, (S)-(?)-2-Pyrrolidone-5-carboxylic acid, L-5-Oxo-2-pyrrolidinecarboxylic acid, L-5-Oxoproline, pGlu; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:7405 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028702.txt index f3f11df52b1..9423964aca0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028702 -RECORD_TITLE: L-a-Aminoglutaric Acid Lactam, (S)-5-Oxo-2-pyrrolidinecarboxylic acid, pyroGlu, Pidolic acid, L-Pyroglutamic acid, L-Glutimic acid, Pyroglutamate, (S)-(?)-2-Pyrrolidone-5-carboxylic acid, L-5-Oxo-2-pyrrolidinecarboxylic acid, L-5-Oxoproline, pGlu; LC-ESI-QQ; MS2 +RECORD_TITLE: L-a-Aminoglutaric Acid Lactam, (S)-5-Oxo-2-pyrrolidinecarboxylic acid, pyroGlu, Pidolic acid, L-Pyroglutamic acid, L-Glutimic acid, Pyroglutamate, (S)-(?)-2-Pyrrolidone-5-carboxylic acid, L-5-Oxo-2-pyrrolidinecarboxylic acid, L-5-Oxoproline, pGlu; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:7405 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028703.txt index 539fbd9dac0..b0cb07c54af 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028703 -RECORD_TITLE: L-a-Aminoglutaric Acid Lactam, (S)-5-Oxo-2-pyrrolidinecarboxylic acid, pyroGlu, Pidolic acid, L-Pyroglutamic acid, L-Glutimic acid, Pyroglutamate, (S)-(?)-2-Pyrrolidone-5-carboxylic acid, L-5-Oxo-2-pyrrolidinecarboxylic acid, L-5-Oxoproline, pGlu; LC-ESI-QQ; MS2 +RECORD_TITLE: L-a-Aminoglutaric Acid Lactam, (S)-5-Oxo-2-pyrrolidinecarboxylic acid, pyroGlu, Pidolic acid, L-Pyroglutamic acid, L-Glutimic acid, Pyroglutamate, (S)-(?)-2-Pyrrolidone-5-carboxylic acid, L-5-Oxo-2-pyrrolidinecarboxylic acid, L-5-Oxoproline, pGlu; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:7405 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028707.txt index 0c3c11f9211..f40f3515815 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028707 -RECORD_TITLE: L-a-Aminoglutaric Acid Lactam, (S)-5-Oxo-2-pyrrolidinecarboxylic acid, pyroGlu, Pidolic acid, L-Pyroglutamic acid, L-Glutimic acid, Pyroglutamate, (S)-(?)-2-Pyrrolidone-5-carboxylic acid, L-5-Oxo-2-pyrrolidinecarboxylic acid, L-5-Oxoproline, pGlu; LC-ESI-QQ; MS2 +RECORD_TITLE: L-a-Aminoglutaric Acid Lactam, (S)-5-Oxo-2-pyrrolidinecarboxylic acid, pyroGlu, Pidolic acid, L-Pyroglutamic acid, L-Glutimic acid, Pyroglutamate, (S)-(?)-2-Pyrrolidone-5-carboxylic acid, L-5-Oxo-2-pyrrolidinecarboxylic acid, L-5-Oxoproline, pGlu; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:7405 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028708.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028708.txt index 47b3bd969ba..b041ab68552 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028708.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028708 -RECORD_TITLE: L-a-Aminoglutaric Acid Lactam, (S)-5-Oxo-2-pyrrolidinecarboxylic acid, pyroGlu, Pidolic acid, L-Pyroglutamic acid, L-Glutimic acid, Pyroglutamate, (S)-(?)-2-Pyrrolidone-5-carboxylic acid, L-5-Oxo-2-pyrrolidinecarboxylic acid, L-5-Oxoproline, pGlu; LC-ESI-QQ; MS2 +RECORD_TITLE: L-a-Aminoglutaric Acid Lactam, (S)-5-Oxo-2-pyrrolidinecarboxylic acid, pyroGlu, Pidolic acid, L-Pyroglutamic acid, L-Glutimic acid, Pyroglutamate, (S)-(?)-2-Pyrrolidone-5-carboxylic acid, L-5-Oxo-2-pyrrolidinecarboxylic acid, L-5-Oxoproline, pGlu; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:7405 CH$LINK: INCHIKEY ODHCTXKNWHHXJC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028801.txt index 083d36b9fc4..306970294d6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028801 -RECORD_TITLE: L-Serine, beta-Hydroxyalanine, Ser, (S)-2-Amino-3-hydroxypropionic acid, L-alpha-Aminohydroacrylic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Serine, beta-Hydroxyalanine, Ser, (S)-2-Amino-3-hydroxypropionic acid, L-alpha-Aminohydroacrylic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5951 CH$LINK: INCHIKEY MTCFGRXMJLQNBG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028802.txt index 77495536816..dbaffa4ee0b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028802 -RECORD_TITLE: L-Serine, beta-Hydroxyalanine, Ser, (S)-2-Amino-3-hydroxypropionic acid, L-alpha-Aminohydroacrylic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Serine, beta-Hydroxyalanine, Ser, (S)-2-Amino-3-hydroxypropionic acid, L-alpha-Aminohydroacrylic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5951 CH$LINK: INCHIKEY MTCFGRXMJLQNBG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028803.txt index 039deeccc2f..acf96d7e73a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028803 -RECORD_TITLE: L-Serine, beta-Hydroxyalanine, Ser, (S)-2-Amino-3-hydroxypropionic acid, L-alpha-Aminohydroacrylic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Serine, beta-Hydroxyalanine, Ser, (S)-2-Amino-3-hydroxypropionic acid, L-alpha-Aminohydroacrylic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5951 CH$LINK: INCHIKEY MTCFGRXMJLQNBG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028901.txt index 269683ac26b..b5751aa2cb9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028901 -RECORD_TITLE: (2S,3R)-2-Amino-3-hydroxybutyric acid, L-2-Amino-3-hydroxybutyric acid, Thr, beta-Methylserine, (2S,3R)-2-Amino-3-hydroxybutanoic Acid, L-Threonine; LC-ESI-QQ; MS2 +RECORD_TITLE: (2S,3R)-2-Amino-3-hydroxybutyric acid, L-2-Amino-3-hydroxybutyric acid, Thr, beta-Methylserine, (2S,3R)-2-Amino-3-hydroxybutanoic Acid, L-Threonine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6288 CH$LINK: INCHIKEY AYFVYJQAPQTCCC-GBXIJSLDSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028902.txt index ea0b51efb23..e1dbef1d8d1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028902 -RECORD_TITLE: (2S,3R)-2-Amino-3-hydroxybutyric acid, L-2-Amino-3-hydroxybutyric acid, Thr, beta-Methylserine, (2S,3R)-2-Amino-3-hydroxybutanoic Acid, L-Threonine; LC-ESI-QQ; MS2 +RECORD_TITLE: (2S,3R)-2-Amino-3-hydroxybutyric acid, L-2-Amino-3-hydroxybutyric acid, Thr, beta-Methylserine, (2S,3R)-2-Amino-3-hydroxybutanoic Acid, L-Threonine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6288 CH$LINK: INCHIKEY AYFVYJQAPQTCCC-GBXIJSLDSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028903.txt index 2f81571a511..d3f2df7fc85 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS028903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS028903 -RECORD_TITLE: (2S,3R)-2-Amino-3-hydroxybutyric acid, L-2-Amino-3-hydroxybutyric acid, Thr, beta-Methylserine, (2S,3R)-2-Amino-3-hydroxybutanoic Acid, L-Threonine; LC-ESI-QQ; MS2 +RECORD_TITLE: (2S,3R)-2-Amino-3-hydroxybutyric acid, L-2-Amino-3-hydroxybutyric acid, Thr, beta-Methylserine, (2S,3R)-2-Amino-3-hydroxybutanoic Acid, L-Threonine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6288 CH$LINK: INCHIKEY AYFVYJQAPQTCCC-GBXIJSLDSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029001.txt index b861a29d751..a5430ca1cbf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029001 -RECORD_TITLE: Val, L-alpha-Aminoisovalerianic Acid, L-2-Amino-3-methylbutanoic acid, L-Valine, (S)-alpha-Aminoisovaleric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Val, L-alpha-Aminoisovalerianic Acid, L-2-Amino-3-methylbutanoic acid, L-Valine, (S)-alpha-Aminoisovaleric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6287 CH$LINK: INCHIKEY KZSNJWFQEVHDMF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029002.txt index 8a79a2f8c7e..84085aab40b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029002 -RECORD_TITLE: Val, L-alpha-Aminoisovalerianic Acid, L-2-Amino-3-methylbutanoic acid, L-Valine, (S)-alpha-Aminoisovaleric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Val, L-alpha-Aminoisovalerianic Acid, L-2-Amino-3-methylbutanoic acid, L-Valine, (S)-alpha-Aminoisovaleric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6287 CH$LINK: INCHIKEY KZSNJWFQEVHDMF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029003.txt index a4418d9a51c..63f03735e57 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029003 -RECORD_TITLE: Val, L-alpha-Aminoisovalerianic Acid, L-2-Amino-3-methylbutanoic acid, L-Valine, (S)-alpha-Aminoisovaleric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Val, L-alpha-Aminoisovalerianic Acid, L-2-Amino-3-methylbutanoic acid, L-Valine, (S)-alpha-Aminoisovaleric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6287 CH$LINK: INCHIKEY KZSNJWFQEVHDMF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029004.txt index 0d55b7a733e..dde11d0021c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029004 -RECORD_TITLE: Val, L-alpha-Aminoisovalerianic Acid, L-2-Amino-3-methylbutanoic acid, L-Valine, (S)-alpha-Aminoisovaleric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Val, L-alpha-Aminoisovalerianic Acid, L-2-Amino-3-methylbutanoic acid, L-Valine, (S)-alpha-Aminoisovaleric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6287 CH$LINK: INCHIKEY KZSNJWFQEVHDMF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029201.txt index 5ac7ea03ed3..a7c3e5f2471 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029201 -RECORD_TITLE: Malonate, 1,3-Propanedioic acid, Carboxyacetic acid, Methanedicarboxylic acid, Dicarboxymethane, Malonic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Malonate, 1,3-Propanedioic acid, Carboxyacetic acid, Methanedicarboxylic acid, Dicarboxymethane, Malonic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:867 CH$LINK: INCHIKEY OFOBLEOULBTSOW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029301.txt index eb66de0fa15..c1b982536fa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029301 -RECORD_TITLE: malonyl-CoA, Malonyl coenzyme A lithium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: malonyl-CoA, Malonyl coenzyme A lithium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:10663 CH$LINK: INCHIKEY LTYOQGRJFJAKNA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029303.txt index 25fa9f97443..3e0e2435332 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029303 -RECORD_TITLE: malonyl-CoA, Malonyl coenzyme A lithium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: malonyl-CoA, Malonyl coenzyme A lithium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:10663 CH$LINK: INCHIKEY LTYOQGRJFJAKNA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029501.txt index 4d761e79be4..ef58470083c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029501 -RECORD_TITLE: (Glc(alpha1-4)Glc(alpha1-4)Glc), Triomaltose, Amylotriose, O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose, alpha-1,4-Glucotriose, Maltotriose; LC-ESI-QQ; MS2 +RECORD_TITLE: (Glc(alpha1-4)Glc(alpha1-4)Glc), Triomaltose, Amylotriose, O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose, alpha-1,4-Glucotriose, Maltotriose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439586 CH$LINK: INCHIKEY FYGDTMLNYKFZSV-DZOUCCHMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029502.txt index 93f62b5af9d..10b84895227 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029502 -RECORD_TITLE: (Glc(alpha1-4)Glc(alpha1-4)Glc), Triomaltose, Amylotriose, O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose, alpha-1,4-Glucotriose, Maltotriose; LC-ESI-QQ; MS2 +RECORD_TITLE: (Glc(alpha1-4)Glc(alpha1-4)Glc), Triomaltose, Amylotriose, O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose, alpha-1,4-Glucotriose, Maltotriose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439586 CH$LINK: INCHIKEY FYGDTMLNYKFZSV-DZOUCCHMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029503.txt index 0928df617a1..a735225b1b7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029503 -RECORD_TITLE: (Glc(alpha1-4)Glc(alpha1-4)Glc), Triomaltose, Amylotriose, O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose, alpha-1,4-Glucotriose, Maltotriose; LC-ESI-QQ; MS2 +RECORD_TITLE: (Glc(alpha1-4)Glc(alpha1-4)Glc), Triomaltose, Amylotriose, O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose, alpha-1,4-Glucotriose, Maltotriose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439586 CH$LINK: INCHIKEY FYGDTMLNYKFZSV-DZOUCCHMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029505.txt index f29d1b33c09..b0f0205b376 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029505 -RECORD_TITLE: (Glc(alpha1-4)Glc(alpha1-4)Glc), Triomaltose, Amylotriose, O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose, alpha-1,4-Glucotriose, Maltotriose; LC-ESI-QQ; MS2 +RECORD_TITLE: (Glc(alpha1-4)Glc(alpha1-4)Glc), Triomaltose, Amylotriose, O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose, alpha-1,4-Glucotriose, Maltotriose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439586 CH$LINK: INCHIKEY FYGDTMLNYKFZSV-DZOUCCHMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029506.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029506.txt index 3dd10854d76..8e634cb0668 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029506.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029506 -RECORD_TITLE: (Glc(alpha1-4)Glc(alpha1-4)Glc), Triomaltose, Amylotriose, O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose, alpha-1,4-Glucotriose, Maltotriose; LC-ESI-QQ; MS2 +RECORD_TITLE: (Glc(alpha1-4)Glc(alpha1-4)Glc), Triomaltose, Amylotriose, O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose, alpha-1,4-Glucotriose, Maltotriose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439586 CH$LINK: INCHIKEY FYGDTMLNYKFZSV-DZOUCCHMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029601.txt index f4d2b8506b1..62c0f984b61 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029601 -RECORD_TITLE: Inversine hydrochloride, 3-Methylaminoisocamphane hydrochloride, 2-(Methylamino)isocamphane hydrochloride, N,2,3,3-Tetramethyl-2-norbornanamine hydrochloride, Mecamine hydrochloride, N,2,3,3-Tetramethylbicyclo(2.2.1)heptan-2-amine hydrochloride, Mecamylamine hydrochloride, Mevasin hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: Inversine hydrochloride, 3-Methylaminoisocamphane hydrochloride, 2-(Methylamino)isocamphane hydrochloride, N,2,3,3-Tetramethyl-2-norbornanamine hydrochloride, Mecamine hydrochloride, N,2,3,3-Tetramethylbicyclo(2.2.1)heptan-2-amine hydrochloride, Mecamylamine hydrochloride, Mevasin hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:4032 CH$LINK: INCHIKEY IMYZQPCYWPFTAG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001549; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029602.txt index 2016629b4ed..55d043264f6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029602 -RECORD_TITLE: Inversine hydrochloride, 3-Methylaminoisocamphane hydrochloride, 2-(Methylamino)isocamphane hydrochloride, N,2,3,3-Tetramethyl-2-norbornanamine hydrochloride, Mecamine hydrochloride, N,2,3,3-Tetramethylbicyclo(2.2.1)heptan-2-amine hydrochloride, Mecamylamine hydrochloride, Mevasin hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: Inversine hydrochloride, 3-Methylaminoisocamphane hydrochloride, 2-(Methylamino)isocamphane hydrochloride, N,2,3,3-Tetramethyl-2-norbornanamine hydrochloride, Mecamine hydrochloride, N,2,3,3-Tetramethylbicyclo(2.2.1)heptan-2-amine hydrochloride, Mecamylamine hydrochloride, Mevasin hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:4032 CH$LINK: INCHIKEY IMYZQPCYWPFTAG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001549; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029603.txt index 58ee8456c05..29feac5aaf8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029603 -RECORD_TITLE: Inversine hydrochloride, 3-Methylaminoisocamphane hydrochloride, 2-(Methylamino)isocamphane hydrochloride, N,2,3,3-Tetramethyl-2-norbornanamine hydrochloride, Mecamine hydrochloride, N,2,3,3-Tetramethylbicyclo(2.2.1)heptan-2-amine hydrochloride, Mecamylamine hydrochloride, Mevasin hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: Inversine hydrochloride, 3-Methylaminoisocamphane hydrochloride, 2-(Methylamino)isocamphane hydrochloride, N,2,3,3-Tetramethyl-2-norbornanamine hydrochloride, Mecamine hydrochloride, N,2,3,3-Tetramethylbicyclo(2.2.1)heptan-2-amine hydrochloride, Mecamylamine hydrochloride, Mevasin hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:4032 CH$LINK: INCHIKEY IMYZQPCYWPFTAG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001549; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029604.txt index b5b0babb581..01688c48be7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029604 -RECORD_TITLE: Inversine hydrochloride, 3-Methylaminoisocamphane hydrochloride, 2-(Methylamino)isocamphane hydrochloride, N,2,3,3-Tetramethyl-2-norbornanamine hydrochloride, Mecamine hydrochloride, N,2,3,3-Tetramethylbicyclo(2.2.1)heptan-2-amine hydrochloride, Mecamylamine hydrochloride, Mevasin hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: Inversine hydrochloride, 3-Methylaminoisocamphane hydrochloride, 2-(Methylamino)isocamphane hydrochloride, N,2,3,3-Tetramethyl-2-norbornanamine hydrochloride, Mecamine hydrochloride, N,2,3,3-Tetramethylbicyclo(2.2.1)heptan-2-amine hydrochloride, Mecamylamine hydrochloride, Mevasin hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:4032 CH$LINK: INCHIKEY IMYZQPCYWPFTAG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001549; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029605.txt index a44415871b4..6deba58738d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029605 -RECORD_TITLE: Inversine hydrochloride, 3-Methylaminoisocamphane hydrochloride, 2-(Methylamino)isocamphane hydrochloride, N,2,3,3-Tetramethyl-2-norbornanamine hydrochloride, Mecamine hydrochloride, N,2,3,3-Tetramethylbicyclo(2.2.1)heptan-2-amine hydrochloride, Mecamylamine hydrochloride, Mevasin hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: Inversine hydrochloride, 3-Methylaminoisocamphane hydrochloride, 2-(Methylamino)isocamphane hydrochloride, N,2,3,3-Tetramethyl-2-norbornanamine hydrochloride, Mecamine hydrochloride, N,2,3,3-Tetramethylbicyclo(2.2.1)heptan-2-amine hydrochloride, Mecamylamine hydrochloride, Mevasin hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:4032 CH$LINK: INCHIKEY IMYZQPCYWPFTAG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001549; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029701.txt index 53182d7e5d0..e586c4bd969 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029701 -RECORD_TITLE: 6-alpha-D-Galactopyranosyl-D-glucopyranose, Gal(alpha1-6)Glc, alpha-D-Melibiose hydrate, Melibiose hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-alpha-D-Galactopyranosyl-D-glucopyranose, Gal(alpha1-6)Glc, alpha-D-Melibiose hydrate, Melibiose hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:440658 CH$LINK: INCHIKEY DLRVVLDZNNYCBX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029702.txt index 33636c42ffc..eeb23f34b29 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029702 -RECORD_TITLE: 6-alpha-D-Galactopyranosyl-D-glucopyranose, Gal(alpha1-6)Glc, alpha-D-Melibiose hydrate, Melibiose hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-alpha-D-Galactopyranosyl-D-glucopyranose, Gal(alpha1-6)Glc, alpha-D-Melibiose hydrate, Melibiose hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:440658 CH$LINK: INCHIKEY DLRVVLDZNNYCBX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029705.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029705.txt index eba199adcd4..bb7ad97b886 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029705.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029705 -RECORD_TITLE: 6-alpha-D-Galactopyranosyl-D-glucopyranose, Gal(alpha1-6)Glc, alpha-D-Melibiose hydrate, Melibiose hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-alpha-D-Galactopyranosyl-D-glucopyranose, Gal(alpha1-6)Glc, alpha-D-Melibiose hydrate, Melibiose hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:440658 CH$LINK: INCHIKEY DLRVVLDZNNYCBX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029707.txt index d9f23814893..ca7e3cea98d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029707 -RECORD_TITLE: 6-alpha-D-Galactopyranosyl-D-glucopyranose, Gal(alpha1-6)Glc, alpha-D-Melibiose hydrate, Melibiose hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-alpha-D-Galactopyranosyl-D-glucopyranose, Gal(alpha1-6)Glc, alpha-D-Melibiose hydrate, Melibiose hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:440658 CH$LINK: INCHIKEY DLRVVLDZNNYCBX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029708.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029708.txt index e047d7b6991..5f90c333423 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029708.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029708 -RECORD_TITLE: 6-alpha-D-Galactopyranosyl-D-glucopyranose, Gal(alpha1-6)Glc, alpha-D-Melibiose hydrate, Melibiose hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-alpha-D-Galactopyranosyl-D-glucopyranose, Gal(alpha1-6)Glc, alpha-D-Melibiose hydrate, Melibiose hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:440658 CH$LINK: INCHIKEY DLRVVLDZNNYCBX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029710.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029710.txt index 13a6331e8e1..1a559a3f79f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029710.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029710.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029710 -RECORD_TITLE: 6-alpha-D-Galactopyranosyl-D-glucopyranose, Gal(alpha1-6)Glc, alpha-D-Melibiose hydrate, Melibiose hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-alpha-D-Galactopyranosyl-D-glucopyranose, Gal(alpha1-6)Glc, alpha-D-Melibiose hydrate, Melibiose hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:440658 CH$LINK: INCHIKEY DLRVVLDZNNYCBX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029711.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029711.txt index 10a96bc91f0..20949268bca 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029711.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029711.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029711 -RECORD_TITLE: 6-alpha-D-Galactopyranosyl-D-glucopyranose, Gal(alpha1-6)Glc, alpha-D-Melibiose hydrate, Melibiose hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-alpha-D-Galactopyranosyl-D-glucopyranose, Gal(alpha1-6)Glc, alpha-D-Melibiose hydrate, Melibiose hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:440658 CH$LINK: INCHIKEY DLRVVLDZNNYCBX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029807.txt index 25d53521d4b..fb05c8c0dad 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029807 -RECORD_TITLE: Mesic Acid, MSA, Sulfomethane, Methanesulfonic acid solution, Methylsulfonic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Mesic Acid, MSA, Sulfomethane, Methanesulfonic acid solution, Methylsulfonic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6395 CH$LINK: INCHIKEY AFVFQIVMOAPDHO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029808.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029808.txt index e54002dc6d4..62b9ec634da 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029808.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029808 -RECORD_TITLE: Mesic Acid, MSA, Sulfomethane, Methanesulfonic acid solution, Methylsulfonic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Mesic Acid, MSA, Sulfomethane, Methanesulfonic acid solution, Methylsulfonic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6395 CH$LINK: INCHIKEY AFVFQIVMOAPDHO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029901.txt index a286b563b44..8f95f5919b0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029901 -RECORD_TITLE: 1-Methylguanidine hydrochloride, 1-Methylguanidinium Hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Methylguanidine hydrochloride, 1-Methylguanidinium Hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:10111 CH$LINK: INCHIKEY CHJJGSNFBQVOTG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029902.txt index eeeb7e9230b..2c5d827c3d3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029902 -RECORD_TITLE: 1-Methylguanidine hydrochloride, 1-Methylguanidinium Hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Methylguanidine hydrochloride, 1-Methylguanidinium Hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:10111 CH$LINK: INCHIKEY CHJJGSNFBQVOTG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029903.txt index 11abe1060e3..262a5800f8a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029903 -RECORD_TITLE: 1-Methylguanidine hydrochloride, 1-Methylguanidinium Hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Methylguanidine hydrochloride, 1-Methylguanidinium Hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:10111 CH$LINK: INCHIKEY CHJJGSNFBQVOTG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029904.txt index 8568f5370c2..f4015be8407 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS029904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS029904 -RECORD_TITLE: 1-Methylguanidine hydrochloride, 1-Methylguanidinium Hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Methylguanidine hydrochloride, 1-Methylguanidinium Hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:10111 CH$LINK: INCHIKEY CHJJGSNFBQVOTG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030201.txt index 0172aefe066..18b93ac226d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS030201 -RECORD_TITLE: N,N-Dimethylaminoacetic acid, N,N-Dimethylglycine, N-Methylsarcosine, 2-dimethylaminoacetic acid, Dmg; LC-ESI-QQ; MS2 +RECORD_TITLE: N,N-Dimethylaminoacetic acid, N,N-Dimethylglycine, N-Methylsarcosine, 2-dimethylaminoacetic acid, Dmg; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:673 CH$LINK: INCHIKEY FFDGPVCHZBVARC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030205.txt index 58921ee6126..8412461d3d8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS030205 -RECORD_TITLE: N,N-Dimethylaminoacetic acid, N,N-Dimethylglycine, N-Methylsarcosine, 2-dimethylaminoacetic acid, Dmg; LC-ESI-QQ; MS2 +RECORD_TITLE: N,N-Dimethylaminoacetic acid, N,N-Dimethylglycine, N-Methylsarcosine, 2-dimethylaminoacetic acid, Dmg; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:673 CH$LINK: INCHIKEY FFDGPVCHZBVARC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030401.txt index 69359716764..87904d64819 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS030401 -RECORD_TITLE: NAC, Mucomyst, Inspir, Respaire, Fluatox, N-Acetyl-L-cysteine, Fluimucetin, N-Acetyl-3-mercaptoalanine, Ac-Cys, Brunac, Mucolator, Mucolyticum Lappe, Mercapturic acid, Fabrol, Muco Sanigen, Fluprowit, Mucocedyl, LNAC, Acetein, Mucosolvin, Fluibiotic, Fluimicil, Exomuc, Parvolex, Fluimucil, L-2-Acetamido-3-mercaptopropionic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: NAC, Mucomyst, Inspir, Respaire, Fluatox, N-Acetyl-L-cysteine, Fluimucetin, N-Acetyl-3-mercaptoalanine, Ac-Cys, Brunac, Mucolator, Mucolyticum Lappe, Mercapturic acid, Fabrol, Muco Sanigen, Fluprowit, Mucocedyl, LNAC, Acetein, Mucosolvin, Fluibiotic, Fluimicil, Exomuc, Parvolex, Fluimucil, L-2-Acetamido-3-mercaptopropionic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -49,7 +49,7 @@ CH$LINK: PUBCHEM CID:581 CH$LINK: INCHIKEY PWKSKIMOESPYIA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030501.txt index eae285fb65e..b34c7228191 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS030501 -RECORD_TITLE: Butyryl-CoA, butanoyl-CoA, n-Butyryl coenzyme A lithium salt hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Butyryl-CoA, butanoyl-CoA, n-Butyryl coenzyme A lithium salt hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439173 CH$LINK: INCHIKEY CRFNGMNYKDXRTN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030502.txt index bfee1e9e425..dd1a302bbb7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS030502 -RECORD_TITLE: Butyryl-CoA, butanoyl-CoA, n-Butyryl coenzyme A lithium salt hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Butyryl-CoA, butanoyl-CoA, n-Butyryl coenzyme A lithium salt hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439173 CH$LINK: INCHIKEY CRFNGMNYKDXRTN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030503.txt index 0afde489758..8439ce771d2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS030503 -RECORD_TITLE: Butyryl-CoA, butanoyl-CoA, n-Butyryl coenzyme A lithium salt hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Butyryl-CoA, butanoyl-CoA, n-Butyryl coenzyme A lithium salt hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439173 CH$LINK: INCHIKEY CRFNGMNYKDXRTN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030504.txt index 6afbb2cf1ee..31339c9f7f2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS030504 -RECORD_TITLE: Butyryl-CoA, butanoyl-CoA, n-Butyryl coenzyme A lithium salt hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Butyryl-CoA, butanoyl-CoA, n-Butyryl coenzyme A lithium salt hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439173 CH$LINK: INCHIKEY CRFNGMNYKDXRTN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030505.txt index 42655e02d79..df8b2220e5d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS030505 -RECORD_TITLE: Butyryl-CoA, butanoyl-CoA, n-Butyryl coenzyme A lithium salt hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Butyryl-CoA, butanoyl-CoA, n-Butyryl coenzyme A lithium salt hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439173 CH$LINK: INCHIKEY CRFNGMNYKDXRTN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030506.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030506.txt index 86c73003d23..1516b4c2838 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030506.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS030506 -RECORD_TITLE: Butyryl-CoA, butanoyl-CoA, n-Butyryl coenzyme A lithium salt hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Butyryl-CoA, butanoyl-CoA, n-Butyryl coenzyme A lithium salt hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439173 CH$LINK: INCHIKEY CRFNGMNYKDXRTN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030507.txt index 301a8be1f6f..858d996abef 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS030507 -RECORD_TITLE: Butyryl-CoA, butanoyl-CoA, n-Butyryl coenzyme A lithium salt hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Butyryl-CoA, butanoyl-CoA, n-Butyryl coenzyme A lithium salt hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439173 CH$LINK: INCHIKEY CRFNGMNYKDXRTN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030508.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030508.txt index d056272dff6..a87d3e9b915 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030508.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS030508 -RECORD_TITLE: Butyryl-CoA, butanoyl-CoA, n-Butyryl coenzyme A lithium salt hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Butyryl-CoA, butanoyl-CoA, n-Butyryl coenzyme A lithium salt hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439173 CH$LINK: INCHIKEY CRFNGMNYKDXRTN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030509.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030509.txt index 432f5750149..b2d2a109c70 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030509.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030509.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS030509 -RECORD_TITLE: Butyryl-CoA, butanoyl-CoA, n-Butyryl coenzyme A lithium salt hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Butyryl-CoA, butanoyl-CoA, n-Butyryl coenzyme A lithium salt hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439173 CH$LINK: INCHIKEY CRFNGMNYKDXRTN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030510.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030510.txt index a9bba9308ff..abcedd61e9b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030510.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030510.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS030510 -RECORD_TITLE: Butyryl-CoA, butanoyl-CoA, n-Butyryl coenzyme A lithium salt hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Butyryl-CoA, butanoyl-CoA, n-Butyryl coenzyme A lithium salt hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439173 CH$LINK: INCHIKEY CRFNGMNYKDXRTN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030601.txt index d1a9e4ae7fd..e435992be4d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS030601 -RECORD_TITLE: beta-Ureidopropionic acid, 3-ureidopropionic acid, N-Carbamyl-beta-alanine, 3-ureidopropionate, Carbamoyl-beta-Ala; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Ureidopropionic acid, 3-ureidopropionic acid, N-Carbamyl-beta-alanine, 3-ureidopropionate, Carbamoyl-beta-Ala; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:111 CH$LINK: INCHIKEY JSJWCHRYRHKBBW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000517; Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Ureas AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030603.txt index e37f2b1fdae..9b877fbefca 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS030603 -RECORD_TITLE: beta-Ureidopropionic acid, 3-ureidopropionic acid, N-Carbamyl-beta-alanine, 3-ureidopropionate, Carbamoyl-beta-Ala; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Ureidopropionic acid, 3-ureidopropionic acid, N-Carbamyl-beta-alanine, 3-ureidopropionate, Carbamoyl-beta-Ala; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:111 CH$LINK: INCHIKEY JSJWCHRYRHKBBW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000517; Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Ureas AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030605.txt index b506aaa2515..b3e2277d456 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS030605 -RECORD_TITLE: beta-Ureidopropionic acid, 3-ureidopropionic acid, N-Carbamyl-beta-alanine, 3-ureidopropionate, Carbamoyl-beta-Ala; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Ureidopropionic acid, 3-ureidopropionic acid, N-Carbamyl-beta-alanine, 3-ureidopropionate, Carbamoyl-beta-Ala; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:111 CH$LINK: INCHIKEY JSJWCHRYRHKBBW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000517; Organic compounds; Organic acids and derivatives; Organic carbonic acids and derivatives; Ureas AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030701.txt index bf55066394d..e4f329819a1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS030701 -RECORD_TITLE: For-Met, fMet, (S)-2-Formylamino-4-(methylthio)butanoic Acid, N-Formyl-L-methionine; LC-ESI-QQ; MS2 +RECORD_TITLE: For-Met, fMet, (S)-2-Formylamino-4-(methylthio)butanoic Acid, N-Formyl-L-methionine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439750 CH$LINK: INCHIKEY PYUSHNKNPOHWEZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030707.txt index 8e1241084d4..be20b9ea4f6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS030707 -RECORD_TITLE: For-Met, fMet, (S)-2-Formylamino-4-(methylthio)butanoic Acid, N-Formyl-L-methionine; LC-ESI-QQ; MS2 +RECORD_TITLE: For-Met, fMet, (S)-2-Formylamino-4-(methylthio)butanoic Acid, N-Formyl-L-methionine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439750 CH$LINK: INCHIKEY PYUSHNKNPOHWEZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030801.txt index 67b0a3e2def..4f48032d0b0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS030801 -RECORD_TITLE: Vitamin PP, Pelonin amide, Endobion, Niacinamide, Amnicotin, 3-Pyridinecarboxamide, Nicotinic acid amide, Nicobion, Nicotinamide, Amide PP, Delonin amide, Benicot, Pyridine-3-carboxylic acid amide, Vitamin B3, NAM; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin PP, Pelonin amide, Endobion, Niacinamide, Amnicotin, 3-Pyridinecarboxamide, Nicotinic acid amide, Nicobion, Nicotinamide, Amide PP, Delonin amide, Benicot, Pyridine-3-carboxylic acid amide, Vitamin B3, NAM; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -38,7 +38,7 @@ CH$LINK: PUBCHEM CID:936 CH$LINK: INCHIKEY DFPAKSUCGFBDDF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030802.txt index b9896aff7c5..2798193b2f0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS030802 -RECORD_TITLE: Vitamin PP, Pelonin amide, Endobion, Niacinamide, Amnicotin, 3-Pyridinecarboxamide, Nicotinic acid amide, Nicobion, Nicotinamide, Amide PP, Delonin amide, Benicot, Pyridine-3-carboxylic acid amide, Vitamin B3, NAM; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin PP, Pelonin amide, Endobion, Niacinamide, Amnicotin, 3-Pyridinecarboxamide, Nicotinic acid amide, Nicobion, Nicotinamide, Amide PP, Delonin amide, Benicot, Pyridine-3-carboxylic acid amide, Vitamin B3, NAM; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -38,7 +38,7 @@ CH$LINK: PUBCHEM CID:936 CH$LINK: INCHIKEY DFPAKSUCGFBDDF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030803.txt index 0f5915125af..157d2ecc8da 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS030803 -RECORD_TITLE: Vitamin PP, Pelonin amide, Endobion, Niacinamide, Amnicotin, 3-Pyridinecarboxamide, Nicotinic acid amide, Nicobion, Nicotinamide, Amide PP, Delonin amide, Benicot, Pyridine-3-carboxylic acid amide, Vitamin B3, NAM; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin PP, Pelonin amide, Endobion, Niacinamide, Amnicotin, 3-Pyridinecarboxamide, Nicotinic acid amide, Nicobion, Nicotinamide, Amide PP, Delonin amide, Benicot, Pyridine-3-carboxylic acid amide, Vitamin B3, NAM; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -38,7 +38,7 @@ CH$LINK: PUBCHEM CID:936 CH$LINK: INCHIKEY DFPAKSUCGFBDDF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030804.txt index d8536587fa7..9027d371fe3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS030804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS030804 -RECORD_TITLE: Vitamin PP, Pelonin amide, Endobion, Niacinamide, Amnicotin, 3-Pyridinecarboxamide, Nicotinic acid amide, Nicobion, Nicotinamide, Amide PP, Delonin amide, Benicot, Pyridine-3-carboxylic acid amide, Vitamin B3, NAM; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin PP, Pelonin amide, Endobion, Niacinamide, Amnicotin, 3-Pyridinecarboxamide, Nicotinic acid amide, Nicobion, Nicotinamide, Amide PP, Delonin amide, Benicot, Pyridine-3-carboxylic acid amide, Vitamin B3, NAM; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -38,7 +38,7 @@ CH$LINK: PUBCHEM CID:936 CH$LINK: INCHIKEY DFPAKSUCGFBDDF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031001.txt index b658c120f9f..84cd86818cf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031001 -RECORD_TITLE: N-Me-DL-Ala, N-Methyl-DL-Alanine, DL-N-Methylalanine; LC-ESI-QQ; MS2 +RECORD_TITLE: N-Me-DL-Ala, N-Methyl-DL-Alanine, DL-N-Methylalanine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5288725 CH$LINK: INCHIKEY GDFAOVXKHJXLEI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031002.txt index 4de80f0665d..51a8098dc67 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031002 -RECORD_TITLE: N-Me-DL-Ala, N-Methyl-DL-Alanine, DL-N-Methylalanine; LC-ESI-QQ; MS2 +RECORD_TITLE: N-Me-DL-Ala, N-Methyl-DL-Alanine, DL-N-Methylalanine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5288725 CH$LINK: INCHIKEY GDFAOVXKHJXLEI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031201.txt index d036b3e7972..f8d47d6827b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031201 -RECORD_TITLE: n-Propionyl coenzyme A lithium salt, propionyl-CoA ; LC-ESI-QQ; MS2 +RECORD_TITLE: n-Propionyl coenzyme A lithium salt, propionyl-CoA ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439164 CH$LINK: INCHIKEY QAQREVBBADEHPA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031202.txt index 4f6944d8751..833177c2631 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031202 -RECORD_TITLE: n-Propionyl coenzyme A lithium salt, propionyl-CoA ; LC-ESI-QQ; MS2 +RECORD_TITLE: n-Propionyl coenzyme A lithium salt, propionyl-CoA ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439164 CH$LINK: INCHIKEY QAQREVBBADEHPA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031203.txt index 3bbf11df8e4..476c13c1a61 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031203 -RECORD_TITLE: n-Propionyl coenzyme A lithium salt, propionyl-CoA ; LC-ESI-QQ; MS2 +RECORD_TITLE: n-Propionyl coenzyme A lithium salt, propionyl-CoA ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439164 CH$LINK: INCHIKEY QAQREVBBADEHPA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031204.txt index a472e667677..5cc030c03e6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031204 -RECORD_TITLE: n-Propionyl coenzyme A lithium salt, propionyl-CoA ; LC-ESI-QQ; MS2 +RECORD_TITLE: n-Propionyl coenzyme A lithium salt, propionyl-CoA ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439164 CH$LINK: INCHIKEY QAQREVBBADEHPA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031205.txt index fb02ee3ab65..303ad589660 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031205 -RECORD_TITLE: n-Propionyl coenzyme A lithium salt, propionyl-CoA ; LC-ESI-QQ; MS2 +RECORD_TITLE: n-Propionyl coenzyme A lithium salt, propionyl-CoA ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439164 CH$LINK: INCHIKEY QAQREVBBADEHPA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031206.txt index a03fb1f66ca..ac47ae33a35 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031206 -RECORD_TITLE: n-Propionyl coenzyme A lithium salt, propionyl-CoA ; LC-ESI-QQ; MS2 +RECORD_TITLE: n-Propionyl coenzyme A lithium salt, propionyl-CoA ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439164 CH$LINK: INCHIKEY QAQREVBBADEHPA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031207.txt index d9f5f957286..b34bf7fc6e5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031207 -RECORD_TITLE: n-Propionyl coenzyme A lithium salt, propionyl-CoA ; LC-ESI-QQ; MS2 +RECORD_TITLE: n-Propionyl coenzyme A lithium salt, propionyl-CoA ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439164 CH$LINK: INCHIKEY QAQREVBBADEHPA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031208.txt index 09ec067ea28..4955a252bc8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031208 -RECORD_TITLE: n-Propionyl coenzyme A lithium salt, propionyl-CoA ; LC-ESI-QQ; MS2 +RECORD_TITLE: n-Propionyl coenzyme A lithium salt, propionyl-CoA ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439164 CH$LINK: INCHIKEY QAQREVBBADEHPA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031209.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031209.txt index ea64d16a790..00500e811a1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031209.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031209 -RECORD_TITLE: n-Propionyl coenzyme A lithium salt, propionyl-CoA ; LC-ESI-QQ; MS2 +RECORD_TITLE: n-Propionyl coenzyme A lithium salt, propionyl-CoA ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439164 CH$LINK: INCHIKEY QAQREVBBADEHPA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031301.txt index 1ce622124f8..a38eed85870 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031301 -RECORD_TITLE: Propylacetic acid, 1-Butanecarboxylic acid, Valerate, Valerianic acid, Carboxylic Acid C5, n-Valeric acid, Pentanoic acid, Pentanoate, Pentane Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Propylacetic acid, 1-Butanecarboxylic acid, Valerate, Valerianic acid, Carboxylic Acid C5, n-Valeric acid, Pentanoic acid, Pentanoate, Pentane Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:7991 CH$LINK: INCHIKEY NQPDZGIKBAWPEJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031302.txt index 37688fefd07..a6ea4f2baf0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031302 -RECORD_TITLE: Propylacetic acid, 1-Butanecarboxylic acid, Valerate, Valerianic acid, Carboxylic Acid C5, n-Valeric acid, Pentanoic acid, Pentanoate, Pentane Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Propylacetic acid, 1-Butanecarboxylic acid, Valerate, Valerianic acid, Carboxylic Acid C5, n-Valeric acid, Pentanoic acid, Pentanoate, Pentane Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:7991 CH$LINK: INCHIKEY NQPDZGIKBAWPEJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031401.txt index 1aaab3a335d..4484d80326f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031401 -RECORD_TITLE: 2-Coumarate, (E)-3-(2-Hydroxyphenyl)-2-propenoic acid, 2-Hydroxycinnamic acid, predominantly trans , o-Coumaric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Coumarate, (E)-3-(2-Hydroxyphenyl)-2-propenoic acid, 2-Hydroxycinnamic acid, predominantly trans , o-Coumaric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:637540 CH$LINK: INCHIKEY PMOWTIHVNWZYFI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031402.txt index e83d104e193..58dcb189004 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031402 -RECORD_TITLE: 2-Coumarate, (E)-3-(2-Hydroxyphenyl)-2-propenoic acid, 2-Hydroxycinnamic acid, predominantly trans , o-Coumaric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Coumarate, (E)-3-(2-Hydroxyphenyl)-2-propenoic acid, 2-Hydroxycinnamic acid, predominantly trans , o-Coumaric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:637540 CH$LINK: INCHIKEY PMOWTIHVNWZYFI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031403.txt index bf3e3a7699e..ace2d79d367 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031403 -RECORD_TITLE: 2-Coumarate, (E)-3-(2-Hydroxyphenyl)-2-propenoic acid, 2-Hydroxycinnamic acid, predominantly trans , o-Coumaric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Coumarate, (E)-3-(2-Hydroxyphenyl)-2-propenoic acid, 2-Hydroxycinnamic acid, predominantly trans , o-Coumaric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:637540 CH$LINK: INCHIKEY PMOWTIHVNWZYFI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031406.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031406.txt index f78f2452023..d34f4210832 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031406.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031406.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031406 -RECORD_TITLE: 2-Coumarate, (E)-3-(2-Hydroxyphenyl)-2-propenoic acid, 2-Hydroxycinnamic acid, predominantly trans , o-Coumaric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Coumarate, (E)-3-(2-Hydroxyphenyl)-2-propenoic acid, 2-Hydroxycinnamic acid, predominantly trans , o-Coumaric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:637540 CH$LINK: INCHIKEY PMOWTIHVNWZYFI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031501.txt index 4b60bdf9c49..793a1efc5c5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031501 -RECORD_TITLE: (Z)-Octadec-9-enoic acid, Pamolyn, Fat Acid, cis-9-Octadecenoic acid, Oleate, Oleic acid, Elainic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (Z)-Octadec-9-enoic acid, Pamolyn, Fat Acid, cis-9-Octadecenoic acid, Oleate, Oleic acid, Elainic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:445639 CH$LINK: INCHIKEY ZQPPMHVWECSIRJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031502.txt index c0a54050722..9c7b2121f2a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031502 -RECORD_TITLE: (Z)-Octadec-9-enoic acid, Pamolyn, Fat Acid, cis-9-Octadecenoic acid, Oleate, Oleic acid, Elainic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (Z)-Octadec-9-enoic acid, Pamolyn, Fat Acid, cis-9-Octadecenoic acid, Oleate, Oleic acid, Elainic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:445639 CH$LINK: INCHIKEY ZQPPMHVWECSIRJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031601.txt index 72754387e84..242604ced8c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031601 -RECORD_TITLE: Dexfosfoserine, Ser(P), Serine phosphate, o-Phospho-L-serine, L-2-Amino-3-hydroxypropanoic acid 3-phosphate, Plasmenylserine, L-SOP, L-Serine O-phosphate, 3-phosphoserine; LC-ESI-QQ; MS2 +RECORD_TITLE: Dexfosfoserine, Ser(P), Serine phosphate, o-Phospho-L-serine, L-2-Amino-3-hydroxypropanoic acid 3-phosphate, Plasmenylserine, L-SOP, L-Serine O-phosphate, 3-phosphoserine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:68841 CH$LINK: INCHIKEY BZQFBWGGLXLEPQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031602.txt index b78d41c98b2..45cee82614a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031602 -RECORD_TITLE: Dexfosfoserine, Ser(P), Serine phosphate, o-Phospho-L-serine, L-2-Amino-3-hydroxypropanoic acid 3-phosphate, Plasmenylserine, L-SOP, L-Serine O-phosphate, 3-phosphoserine; LC-ESI-QQ; MS2 +RECORD_TITLE: Dexfosfoserine, Ser(P), Serine phosphate, o-Phospho-L-serine, L-2-Amino-3-hydroxypropanoic acid 3-phosphate, Plasmenylserine, L-SOP, L-Serine O-phosphate, 3-phosphoserine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:68841 CH$LINK: INCHIKEY BZQFBWGGLXLEPQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031603.txt index 4372c0e4f5a..294ac07ece8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031603 -RECORD_TITLE: Dexfosfoserine, Ser(P), Serine phosphate, o-Phospho-L-serine, L-2-Amino-3-hydroxypropanoic acid 3-phosphate, Plasmenylserine, L-SOP, L-Serine O-phosphate, 3-phosphoserine; LC-ESI-QQ; MS2 +RECORD_TITLE: Dexfosfoserine, Ser(P), Serine phosphate, o-Phospho-L-serine, L-2-Amino-3-hydroxypropanoic acid 3-phosphate, Plasmenylserine, L-SOP, L-Serine O-phosphate, 3-phosphoserine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:68841 CH$LINK: INCHIKEY BZQFBWGGLXLEPQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031604.txt index 2de078ec055..2717edb5a49 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031604 -RECORD_TITLE: Dexfosfoserine, Ser(P), Serine phosphate, o-Phospho-L-serine, L-2-Amino-3-hydroxypropanoic acid 3-phosphate, Plasmenylserine, L-SOP, L-Serine O-phosphate, 3-phosphoserine; LC-ESI-QQ; MS2 +RECORD_TITLE: Dexfosfoserine, Ser(P), Serine phosphate, o-Phospho-L-serine, L-2-Amino-3-hydroxypropanoic acid 3-phosphate, Plasmenylserine, L-SOP, L-Serine O-phosphate, 3-phosphoserine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:68841 CH$LINK: INCHIKEY BZQFBWGGLXLEPQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031605.txt index 3496c62b3d6..a2c3567976e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031605 -RECORD_TITLE: Dexfosfoserine, Ser(P), Serine phosphate, o-Phospho-L-serine, L-2-Amino-3-hydroxypropanoic acid 3-phosphate, Plasmenylserine, L-SOP, L-Serine O-phosphate, 3-phosphoserine; LC-ESI-QQ; MS2 +RECORD_TITLE: Dexfosfoserine, Ser(P), Serine phosphate, o-Phospho-L-serine, L-2-Amino-3-hydroxypropanoic acid 3-phosphate, Plasmenylserine, L-SOP, L-Serine O-phosphate, 3-phosphoserine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:68841 CH$LINK: INCHIKEY BZQFBWGGLXLEPQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031606.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031606.txt index 41ee4b81358..5e7109e472a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031606.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031606.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031606 -RECORD_TITLE: Dexfosfoserine, Ser(P), Serine phosphate, o-Phospho-L-serine, L-2-Amino-3-hydroxypropanoic acid 3-phosphate, Plasmenylserine, L-SOP, L-Serine O-phosphate, 3-phosphoserine; LC-ESI-QQ; MS2 +RECORD_TITLE: Dexfosfoserine, Ser(P), Serine phosphate, o-Phospho-L-serine, L-2-Amino-3-hydroxypropanoic acid 3-phosphate, Plasmenylserine, L-SOP, L-Serine O-phosphate, 3-phosphoserine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:68841 CH$LINK: INCHIKEY BZQFBWGGLXLEPQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031607.txt index e246cdf9364..9144b1e0510 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031607 -RECORD_TITLE: Dexfosfoserine, Ser(P), Serine phosphate, o-Phospho-L-serine, L-2-Amino-3-hydroxypropanoic acid 3-phosphate, Plasmenylserine, L-SOP, L-Serine O-phosphate, 3-phosphoserine; LC-ESI-QQ; MS2 +RECORD_TITLE: Dexfosfoserine, Ser(P), Serine phosphate, o-Phospho-L-serine, L-2-Amino-3-hydroxypropanoic acid 3-phosphate, Plasmenylserine, L-SOP, L-Serine O-phosphate, 3-phosphoserine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:68841 CH$LINK: INCHIKEY BZQFBWGGLXLEPQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031608.txt index 46f437a3817..7084106f001 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031608 -RECORD_TITLE: Dexfosfoserine, Ser(P), Serine phosphate, o-Phospho-L-serine, L-2-Amino-3-hydroxypropanoic acid 3-phosphate, Plasmenylserine, L-SOP, L-Serine O-phosphate, 3-phosphoserine; LC-ESI-QQ; MS2 +RECORD_TITLE: Dexfosfoserine, Ser(P), Serine phosphate, o-Phospho-L-serine, L-2-Amino-3-hydroxypropanoic acid 3-phosphate, Plasmenylserine, L-SOP, L-Serine O-phosphate, 3-phosphoserine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:68841 CH$LINK: INCHIKEY BZQFBWGGLXLEPQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031707.txt index 5cc2cea7b8c..f006b0fe160 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031707 -RECORD_TITLE: Uracil-6-carboxylic acid, Orotyl, 6-Carboxyuracil, Vitamin B13, Orotate, 2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic Acid, 2,6-Dihydroxypyrimidine-4-carboxylic acid, Orotonin, 6-Carboxy-2,4-dihydroxypyrimidine, Orotic acid ,Anhydrous; LC-ESI-QQ; MS2 +RECORD_TITLE: Uracil-6-carboxylic acid, Orotyl, 6-Carboxyuracil, Vitamin B13, Orotate, 2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic Acid, 2,6-Dihydroxypyrimidine-4-carboxylic acid, Orotonin, 6-Carboxy-2,4-dihydroxypyrimidine, Orotic acid ,Anhydrous; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:967 CH$LINK: INCHIKEY PXQPEWDEAKTCGB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031708.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031708.txt index 4945c24ea36..68736eab25c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031708.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031708 -RECORD_TITLE: Uracil-6-carboxylic acid, Orotyl, 6-Carboxyuracil, Vitamin B13, Orotate, 2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic Acid, 2,6-Dihydroxypyrimidine-4-carboxylic acid, Orotonin, 6-Carboxy-2,4-dihydroxypyrimidine, Orotic acid ,Anhydrous; LC-ESI-QQ; MS2 +RECORD_TITLE: Uracil-6-carboxylic acid, Orotyl, 6-Carboxyuracil, Vitamin B13, Orotate, 2,6-Dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic Acid, 2,6-Dihydroxypyrimidine-4-carboxylic acid, Orotonin, 6-Carboxy-2,4-dihydroxypyrimidine, Orotic acid ,Anhydrous; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:967 CH$LINK: INCHIKEY PXQPEWDEAKTCGB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031907.txt index 5a3a98f36eb..dadc884be61 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031907 -RECORD_TITLE: n-Hexadecanoyl Coenzyme A, Hexadecanoyl coenzyme A, Palmitoyl coenzyme A lithium salt, Palmitoyl-CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: n-Hexadecanoyl Coenzyme A, Hexadecanoyl coenzyme A, Palmitoyl coenzyme A lithium salt, Palmitoyl-CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:15667 CH$LINK: INCHIKEY MNBKLUUYKPBKDU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031908.txt index a5ffc8c3cf7..6b4c6d94722 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031908 -RECORD_TITLE: n-Hexadecanoyl Coenzyme A, Hexadecanoyl coenzyme A, Palmitoyl coenzyme A lithium salt, Palmitoyl-CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: n-Hexadecanoyl Coenzyme A, Hexadecanoyl coenzyme A, Palmitoyl coenzyme A lithium salt, Palmitoyl-CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:15667 CH$LINK: INCHIKEY MNBKLUUYKPBKDU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031909.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031909.txt index 8e3e719f972..da6ef8506b3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031909.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031909 -RECORD_TITLE: n-Hexadecanoyl Coenzyme A, Hexadecanoyl coenzyme A, Palmitoyl coenzyme A lithium salt, Palmitoyl-CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: n-Hexadecanoyl Coenzyme A, Hexadecanoyl coenzyme A, Palmitoyl coenzyme A lithium salt, Palmitoyl-CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:15667 CH$LINK: INCHIKEY MNBKLUUYKPBKDU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031910.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031910.txt index 51299846bed..e26a5c1b28f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031910.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031910.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031910 -RECORD_TITLE: n-Hexadecanoyl Coenzyme A, Hexadecanoyl coenzyme A, Palmitoyl coenzyme A lithium salt, Palmitoyl-CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: n-Hexadecanoyl Coenzyme A, Hexadecanoyl coenzyme A, Palmitoyl coenzyme A lithium salt, Palmitoyl-CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:15667 CH$LINK: INCHIKEY MNBKLUUYKPBKDU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031911.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031911.txt index 461f822a12d..ea967c5c68c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031911.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS031911.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS031911 -RECORD_TITLE: n-Hexadecanoyl Coenzyme A, Hexadecanoyl coenzyme A, Palmitoyl coenzyme A lithium salt, Palmitoyl-CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: n-Hexadecanoyl Coenzyme A, Hexadecanoyl coenzyme A, Palmitoyl coenzyme A lithium salt, Palmitoyl-CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:15667 CH$LINK: INCHIKEY MNBKLUUYKPBKDU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032001.txt index 44ab95f0d8b..8b73fe50641 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032001 -RECORD_TITLE: Phenyldiazane, Phenylhydrazine, Hydrazinobenzene; LC-ESI-QQ; MS2 +RECORD_TITLE: Phenyldiazane, Phenylhydrazine, Hydrazinobenzene; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:7516 CH$LINK: INCHIKEY HKOOXMFOFWEVGF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000113; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylhydrazines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032107.txt index c211186090a..3add1cdb757 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032107 -RECORD_TITLE: 4-Hydroxybenzoic acid sodium salt, Sodium 4-hydroxy-benzoate, Hydroxybenzenecarboxylic acid, p-Hydroxybenzoic acid sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Hydroxybenzoic acid sodium salt, Sodium 4-hydroxy-benzoate, Hydroxybenzenecarboxylic acid, p-Hydroxybenzoic acid sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:135 CH$LINK: INCHIKEY FJKROLUGYXJWQN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032108.txt index 53e6a09c662..d17f76d03a9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032108 -RECORD_TITLE: 4-Hydroxybenzoic acid sodium salt, Sodium 4-hydroxy-benzoate, Hydroxybenzenecarboxylic acid, p-Hydroxybenzoic acid sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Hydroxybenzoic acid sodium salt, Sodium 4-hydroxy-benzoate, Hydroxybenzenecarboxylic acid, p-Hydroxybenzoic acid sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:135 CH$LINK: INCHIKEY FJKROLUGYXJWQN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032201.txt index 4c490601880..6bafa0765a2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032201 -RECORD_TITLE: Piperacillin sodium salt, Pipril, Pipracil, Pentcillin; LC-ESI-QQ; MS2 +RECORD_TITLE: Piperacillin sodium salt, Pipril, Pipracil, Pentcillin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:6604563 CH$LINK: INCHIKEY IVBHGBMCVLDMKU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032202.txt index 325a91e0653..f5a02a63bb1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032202 -RECORD_TITLE: Piperacillin sodium salt, Pipril, Pipracil, Pentcillin; LC-ESI-QQ; MS2 +RECORD_TITLE: Piperacillin sodium salt, Pipril, Pipracil, Pentcillin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:6604563 CH$LINK: INCHIKEY IVBHGBMCVLDMKU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032203.txt index 7645b6d6ccc..b4030975ca9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032203 -RECORD_TITLE: Piperacillin sodium salt, Pipril, Pipracil, Pentcillin; LC-ESI-QQ; MS2 +RECORD_TITLE: Piperacillin sodium salt, Pipril, Pipracil, Pentcillin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:6604563 CH$LINK: INCHIKEY IVBHGBMCVLDMKU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032204.txt index 5d476a19101..6d4b565a390 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032204 -RECORD_TITLE: Piperacillin sodium salt, Pipril, Pipracil, Pentcillin; LC-ESI-QQ; MS2 +RECORD_TITLE: Piperacillin sodium salt, Pipril, Pipracil, Pentcillin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:6604563 CH$LINK: INCHIKEY IVBHGBMCVLDMKU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032205.txt index fbb44b4db34..5784ef19a98 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032205 -RECORD_TITLE: Piperacillin sodium salt, Pipril, Pipracil, Pentcillin; LC-ESI-QQ; MS2 +RECORD_TITLE: Piperacillin sodium salt, Pipril, Pipracil, Pentcillin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:6604563 CH$LINK: INCHIKEY IVBHGBMCVLDMKU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032206.txt index 58942988bcb..0ded10417c0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032206 -RECORD_TITLE: Piperacillin sodium salt, Pipril, Pipracil, Pentcillin; LC-ESI-QQ; MS2 +RECORD_TITLE: Piperacillin sodium salt, Pipril, Pipracil, Pentcillin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:6604563 CH$LINK: INCHIKEY IVBHGBMCVLDMKU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032207.txt index fb5b30dd8cd..f3c4a871c22 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032207 -RECORD_TITLE: Piperacillin sodium salt, Pipril, Pipracil, Pentcillin; LC-ESI-QQ; MS2 +RECORD_TITLE: Piperacillin sodium salt, Pipril, Pipracil, Pentcillin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:6604563 CH$LINK: INCHIKEY IVBHGBMCVLDMKU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032208.txt index 14c8ea2ed41..0cdadd403d0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032208 -RECORD_TITLE: Piperacillin sodium salt, Pipril, Pipracil, Pentcillin; LC-ESI-QQ; MS2 +RECORD_TITLE: Piperacillin sodium salt, Pipril, Pipracil, Pentcillin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:6604563 CH$LINK: INCHIKEY IVBHGBMCVLDMKU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032209.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032209.txt index 486ac0f95cd..94dc5c32c20 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032209.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032209 -RECORD_TITLE: Piperacillin sodium salt, Pipril, Pipracil, Pentcillin; LC-ESI-QQ; MS2 +RECORD_TITLE: Piperacillin sodium salt, Pipril, Pipracil, Pentcillin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:6604563 CH$LINK: INCHIKEY IVBHGBMCVLDMKU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032210.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032210.txt index eab3208b01d..1052a36e5ee 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032210.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032210.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032210 -RECORD_TITLE: Piperacillin sodium salt, Pipril, Pipracil, Pentcillin; LC-ESI-QQ; MS2 +RECORD_TITLE: Piperacillin sodium salt, Pipril, Pipracil, Pentcillin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:6604563 CH$LINK: INCHIKEY IVBHGBMCVLDMKU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032301.txt index b6617fe5400..1e9e449e0b4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032301 -RECORD_TITLE: Azacyclohexane, Pentamethyleneimine, Hexazane, Hexahydropyridine, Piperidine, Cypentil, Perhydroazine, Perhydropyridine, Cyclopentimine, Pentamethylenimine; LC-ESI-QQ; MS2 +RECORD_TITLE: Azacyclohexane, Pentamethyleneimine, Hexazane, Hexahydropyridine, Piperidine, Cypentil, Perhydroazine, Perhydropyridine, Cyclopentimine, Pentamethylenimine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:8082 CH$LINK: INCHIKEY NQRYJNQNLNOLGT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000195; Organic compounds; Organoheterocyclic compounds; Piperidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032302.txt index ab20cfa4b74..3d47218ae08 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032302 -RECORD_TITLE: Azacyclohexane, Pentamethyleneimine, Hexazane, Hexahydropyridine, Piperidine, Cypentil, Perhydroazine, Perhydropyridine, Cyclopentimine, Pentamethylenimine; LC-ESI-QQ; MS2 +RECORD_TITLE: Azacyclohexane, Pentamethyleneimine, Hexazane, Hexahydropyridine, Piperidine, Cypentil, Perhydroazine, Perhydropyridine, Cyclopentimine, Pentamethylenimine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:8082 CH$LINK: INCHIKEY NQRYJNQNLNOLGT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000195; Organic compounds; Organoheterocyclic compounds; Piperidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032303.txt index 665b37f41c9..42ab6e2268e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032303 -RECORD_TITLE: Azacyclohexane, Pentamethyleneimine, Hexazane, Hexahydropyridine, Piperidine, Cypentil, Perhydroazine, Perhydropyridine, Cyclopentimine, Pentamethylenimine; LC-ESI-QQ; MS2 +RECORD_TITLE: Azacyclohexane, Pentamethyleneimine, Hexazane, Hexahydropyridine, Piperidine, Cypentil, Perhydroazine, Perhydropyridine, Cyclopentimine, Pentamethylenimine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:8082 CH$LINK: INCHIKEY NQRYJNQNLNOLGT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000195; Organic compounds; Organoheterocyclic compounds; Piperidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032304.txt index 2837b3c441b..ce20e829d00 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032304 -RECORD_TITLE: Azacyclohexane, Pentamethyleneimine, Hexazane, Hexahydropyridine, Piperidine, Cypentil, Perhydroazine, Perhydropyridine, Cyclopentimine, Pentamethylenimine; LC-ESI-QQ; MS2 +RECORD_TITLE: Azacyclohexane, Pentamethyleneimine, Hexazane, Hexahydropyridine, Piperidine, Cypentil, Perhydroazine, Perhydropyridine, Cyclopentimine, Pentamethylenimine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:8082 CH$LINK: INCHIKEY NQRYJNQNLNOLGT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000195; Organic compounds; Organoheterocyclic compounds; Piperidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032305.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032305.txt index 7f4a5e04e18..5a217660b28 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032305.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032305 -RECORD_TITLE: Azacyclohexane, Pentamethyleneimine, Hexazane, Hexahydropyridine, Piperidine, Cypentil, Perhydroazine, Perhydropyridine, Cyclopentimine, Pentamethylenimine; LC-ESI-QQ; MS2 +RECORD_TITLE: Azacyclohexane, Pentamethyleneimine, Hexazane, Hexahydropyridine, Piperidine, Cypentil, Perhydroazine, Perhydropyridine, Cyclopentimine, Pentamethylenimine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:8082 CH$LINK: INCHIKEY NQRYJNQNLNOLGT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000195; Organic compounds; Organoheterocyclic compounds; Piperidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032401.txt index 5a9f488403f..4babaef1fea 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032401 -RECORD_TITLE: PIPES, Piperazine-1,4-bis(2-ethanesulfonic acid), Piperazine-N,N'-bis(2-ethanesulfonic acid), 1,4-Piperazinediethanesulfonic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: PIPES, Piperazine-1,4-bis(2-ethanesulfonic acid), Piperazine-N,N'-bis(2-ethanesulfonic acid), 1,4-Piperazinediethanesulfonic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:79723 CH$LINK: INCHIKEY IHPYMWDTONKSCO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032402.txt index a515c95fced..9692a4a6a33 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032402 -RECORD_TITLE: PIPES, Piperazine-1,4-bis(2-ethanesulfonic acid), Piperazine-N,N'-bis(2-ethanesulfonic acid), 1,4-Piperazinediethanesulfonic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: PIPES, Piperazine-1,4-bis(2-ethanesulfonic acid), Piperazine-N,N'-bis(2-ethanesulfonic acid), 1,4-Piperazinediethanesulfonic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:79723 CH$LINK: INCHIKEY IHPYMWDTONKSCO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032403.txt index 522735339f5..1dee4f9fa16 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032403 -RECORD_TITLE: PIPES, Piperazine-1,4-bis(2-ethanesulfonic acid), Piperazine-N,N'-bis(2-ethanesulfonic acid), 1,4-Piperazinediethanesulfonic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: PIPES, Piperazine-1,4-bis(2-ethanesulfonic acid), Piperazine-N,N'-bis(2-ethanesulfonic acid), 1,4-Piperazinediethanesulfonic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:79723 CH$LINK: INCHIKEY IHPYMWDTONKSCO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032407.txt index d6b3a581374..5d053ac3295 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032407 -RECORD_TITLE: PIPES, Piperazine-1,4-bis(2-ethanesulfonic acid), Piperazine-N,N'-bis(2-ethanesulfonic acid), 1,4-Piperazinediethanesulfonic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: PIPES, Piperazine-1,4-bis(2-ethanesulfonic acid), Piperazine-N,N'-bis(2-ethanesulfonic acid), 1,4-Piperazinediethanesulfonic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:79723 CH$LINK: INCHIKEY IHPYMWDTONKSCO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032408.txt index 220a760f9b7..5044a8f45a9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032408 -RECORD_TITLE: PIPES, Piperazine-1,4-bis(2-ethanesulfonic acid), Piperazine-N,N'-bis(2-ethanesulfonic acid), 1,4-Piperazinediethanesulfonic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: PIPES, Piperazine-1,4-bis(2-ethanesulfonic acid), Piperazine-N,N'-bis(2-ethanesulfonic acid), 1,4-Piperazinediethanesulfonic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:79723 CH$LINK: INCHIKEY IHPYMWDTONKSCO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032409.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032409.txt index 1c1a037d77f..f2d0f3fb9dc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032409.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032409 -RECORD_TITLE: PIPES, Piperazine-1,4-bis(2-ethanesulfonic acid), Piperazine-N,N'-bis(2-ethanesulfonic acid), 1,4-Piperazinediethanesulfonic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: PIPES, Piperazine-1,4-bis(2-ethanesulfonic acid), Piperazine-N,N'-bis(2-ethanesulfonic acid), 1,4-Piperazinediethanesulfonic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:79723 CH$LINK: INCHIKEY IHPYMWDTONKSCO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032410.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032410.txt index 9e2c3bd3fd7..4ecbe5e1eec 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032410.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032410.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032410 -RECORD_TITLE: PIPES, Piperazine-1,4-bis(2-ethanesulfonic acid), Piperazine-N,N'-bis(2-ethanesulfonic acid), 1,4-Piperazinediethanesulfonic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: PIPES, Piperazine-1,4-bis(2-ethanesulfonic acid), Piperazine-N,N'-bis(2-ethanesulfonic acid), 1,4-Piperazinediethanesulfonic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:79723 CH$LINK: INCHIKEY IHPYMWDTONKSCO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032411.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032411.txt index eaba4817cfa..bc478b27d0a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032411.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032411.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032411 -RECORD_TITLE: PIPES, Piperazine-1,4-bis(2-ethanesulfonic acid), Piperazine-N,N'-bis(2-ethanesulfonic acid), 1,4-Piperazinediethanesulfonic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: PIPES, Piperazine-1,4-bis(2-ethanesulfonic acid), Piperazine-N,N'-bis(2-ethanesulfonic acid), 1,4-Piperazinediethanesulfonic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:79723 CH$LINK: INCHIKEY IHPYMWDTONKSCO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032412.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032412.txt index 7aee0732a98..2e77696f250 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032412.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032412.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032412 -RECORD_TITLE: PIPES, Piperazine-1,4-bis(2-ethanesulfonic acid), Piperazine-N,N'-bis(2-ethanesulfonic acid), 1,4-Piperazinediethanesulfonic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: PIPES, Piperazine-1,4-bis(2-ethanesulfonic acid), Piperazine-N,N'-bis(2-ethanesulfonic acid), 1,4-Piperazinediethanesulfonic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:79723 CH$LINK: INCHIKEY IHPYMWDTONKSCO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000189; Organic compounds; Organoheterocyclic compounds; Diazinanes; Piperazines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032501.txt index ba97bfa571d..4e0ccc49de2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032501 -RECORD_TITLE: Niphen, p-Nitrophenol, Paranitrophenol, 4-Hydroxynitrobenzene, 4-Nitrophenol, 4-Nitrohydroxybenzene, PNP; LC-ESI-QQ; MS2 +RECORD_TITLE: Niphen, p-Nitrophenol, Paranitrophenol, 4-Hydroxynitrobenzene, 4-Nitrophenol, 4-Nitrohydroxybenzene, PNP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:980 CH$LINK: INCHIKEY BTJIUGUIPKRLHP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000141; Organic compounds; Benzenoids; Phenols; Nitrophenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032507.txt index 644c990a144..d5a3e991e4a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032507 -RECORD_TITLE: Niphen, p-Nitrophenol, Paranitrophenol, 4-Hydroxynitrobenzene, 4-Nitrophenol, 4-Nitrohydroxybenzene, PNP; LC-ESI-QQ; MS2 +RECORD_TITLE: Niphen, p-Nitrophenol, Paranitrophenol, 4-Hydroxynitrobenzene, 4-Nitrophenol, 4-Nitrohydroxybenzene, PNP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:980 CH$LINK: INCHIKEY BTJIUGUIPKRLHP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000141; Organic compounds; Benzenoids; Phenols; Nitrophenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032508.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032508.txt index 1ee6157bfc4..50b9fdd7c34 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032508.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032508 -RECORD_TITLE: Niphen, p-Nitrophenol, Paranitrophenol, 4-Hydroxynitrobenzene, 4-Nitrophenol, 4-Nitrohydroxybenzene, PNP; LC-ESI-QQ; MS2 +RECORD_TITLE: Niphen, p-Nitrophenol, Paranitrophenol, 4-Hydroxynitrobenzene, 4-Nitrophenol, 4-Nitrohydroxybenzene, PNP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:980 CH$LINK: INCHIKEY BTJIUGUIPKRLHP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000141; Organic compounds; Benzenoids; Phenols; Nitrophenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032601.txt index ac75a3e3a2b..c60a8a579c8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032601 -RECORD_TITLE: p-Nitrophenyl phosphate bis(cyclohexylammonium) salt , pNPP; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Nitrophenyl phosphate bis(cyclohexylammonium) salt , pNPP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:378 CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032602.txt index 17561c76d30..a52724d0be8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032602 -RECORD_TITLE: p-Nitrophenyl phosphate bis(cyclohexylammonium) salt , pNPP; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Nitrophenyl phosphate bis(cyclohexylammonium) salt , pNPP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:378 CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032603.txt index 24f812f00d1..5930cbf2880 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032603 -RECORD_TITLE: p-Nitrophenyl phosphate bis(cyclohexylammonium) salt , pNPP; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Nitrophenyl phosphate bis(cyclohexylammonium) salt , pNPP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:378 CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032604.txt index 0d1e4082184..68c16559219 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032604 -RECORD_TITLE: p-Nitrophenyl phosphate bis(cyclohexylammonium) salt , pNPP; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Nitrophenyl phosphate bis(cyclohexylammonium) salt , pNPP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:378 CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032605.txt index f15ff265e3e..77e9352a6c0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032605 -RECORD_TITLE: p-Nitrophenyl phosphate bis(cyclohexylammonium) salt , pNPP; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Nitrophenyl phosphate bis(cyclohexylammonium) salt , pNPP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:378 CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032607.txt index 38ab2a66b78..06bdc1982f9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032607 -RECORD_TITLE: p-Nitrophenyl phosphate bis(cyclohexylammonium) salt , pNPP; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Nitrophenyl phosphate bis(cyclohexylammonium) salt , pNPP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:378 CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032608.txt index ddd4021db9d..d203b9a4fad 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032608 -RECORD_TITLE: p-Nitrophenyl phosphate bis(cyclohexylammonium) salt , pNPP; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Nitrophenyl phosphate bis(cyclohexylammonium) salt , pNPP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:378 CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032609.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032609.txt index d70345d6012..97db054e61d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032609.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032609.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032609 -RECORD_TITLE: p-Nitrophenyl phosphate bis(cyclohexylammonium) salt , pNPP; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Nitrophenyl phosphate bis(cyclohexylammonium) salt , pNPP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:378 CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032610.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032610.txt index 17b6d2fefdc..be744cc2a84 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032610.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032610.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032610 -RECORD_TITLE: p-Nitrophenyl phosphate bis(cyclohexylammonium) salt , pNPP; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Nitrophenyl phosphate bis(cyclohexylammonium) salt , pNPP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:378 CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032807.txt index 50487068f10..8d716a9ac62 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS032807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS032807 -RECORD_TITLE: 3,4-Dihydroxybenzoate, Protocatechuic acid, 3,4-Dihydroxybenzoic acid, 4-Carboxy-1,2-dihydroxybenzene, Protocatechuate, Catechol-4-carboxylic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,4-Dihydroxybenzoate, Protocatechuic acid, 3,4-Dihydroxybenzoic acid, 4-Carboxy-1,2-dihydroxybenzene, Protocatechuate, Catechol-4-carboxylic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:72 CH$LINK: INCHIKEY YQUVCSBJEUQKSH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033201.txt index 352d030269a..9e786ed1c85 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033201 -RECORD_TITLE: Gravidox, Vitamin B6, Adermine, 5-Hydroxy-6-methyl-3,4-pyridinedimethanol, Pyridoxol, Hydoxin, Naturetime B6, -Hydroxy-4,5-dimethylol-alpha-picoline, 2-Methyl-3-hydroxy-4,5-dihydroxymethylpyridine, Pyridoxine, Pyroxin, Pridoxine; LC-ESI-QQ; MS2 +RECORD_TITLE: Gravidox, Vitamin B6, Adermine, 5-Hydroxy-6-methyl-3,4-pyridinedimethanol, Pyridoxol, Hydoxin, Naturetime B6, -Hydroxy-4,5-dimethylol-alpha-picoline, 2-Methyl-3-hydroxy-4,5-dihydroxymethylpyridine, Pyridoxine, Pyroxin, Pridoxine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:1054 CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001948; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033202.txt index c9cb2c8189f..437dff2b26b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033202 -RECORD_TITLE: Gravidox, Vitamin B6, Adermine, 5-Hydroxy-6-methyl-3,4-pyridinedimethanol, Pyridoxol, Hydoxin, Naturetime B6, -Hydroxy-4,5-dimethylol-alpha-picoline, 2-Methyl-3-hydroxy-4,5-dihydroxymethylpyridine, Pyridoxine, Pyroxin, Pridoxine; LC-ESI-QQ; MS2 +RECORD_TITLE: Gravidox, Vitamin B6, Adermine, 5-Hydroxy-6-methyl-3,4-pyridinedimethanol, Pyridoxol, Hydoxin, Naturetime B6, -Hydroxy-4,5-dimethylol-alpha-picoline, 2-Methyl-3-hydroxy-4,5-dihydroxymethylpyridine, Pyridoxine, Pyroxin, Pridoxine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:1054 CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001948; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033203.txt index fefc9c475b1..a2efef8ce1b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033203 -RECORD_TITLE: Gravidox, Vitamin B6, Adermine, 5-Hydroxy-6-methyl-3,4-pyridinedimethanol, Pyridoxol, Hydoxin, Naturetime B6, -Hydroxy-4,5-dimethylol-alpha-picoline, 2-Methyl-3-hydroxy-4,5-dihydroxymethylpyridine, Pyridoxine, Pyroxin, Pridoxine; LC-ESI-QQ; MS2 +RECORD_TITLE: Gravidox, Vitamin B6, Adermine, 5-Hydroxy-6-methyl-3,4-pyridinedimethanol, Pyridoxol, Hydoxin, Naturetime B6, -Hydroxy-4,5-dimethylol-alpha-picoline, 2-Methyl-3-hydroxy-4,5-dihydroxymethylpyridine, Pyridoxine, Pyroxin, Pridoxine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:1054 CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001948; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033207.txt index 115daef5219..fa0b5f0b98e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033207 -RECORD_TITLE: Gravidox, Vitamin B6, Adermine, 5-Hydroxy-6-methyl-3,4-pyridinedimethanol, Pyridoxol, Hydoxin, Naturetime B6, -Hydroxy-4,5-dimethylol-alpha-picoline, 2-Methyl-3-hydroxy-4,5-dihydroxymethylpyridine, Pyridoxine, Pyroxin, Pridoxine; LC-ESI-QQ; MS2 +RECORD_TITLE: Gravidox, Vitamin B6, Adermine, 5-Hydroxy-6-methyl-3,4-pyridinedimethanol, Pyridoxol, Hydoxin, Naturetime B6, -Hydroxy-4,5-dimethylol-alpha-picoline, 2-Methyl-3-hydroxy-4,5-dihydroxymethylpyridine, Pyridoxine, Pyroxin, Pridoxine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:1054 CH$LINK: INCHIKEY LXNHXLLTXMVWPM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001948; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridoxines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033301.txt index e33ff3de6fc..925aed72da5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033301 -RECORD_TITLE: L-(+)-a-Amino-3,5-dioxo-1,2,4-oxadiazolidine-2-propanoic Acid, Quisqualic acid, 3-(3,5-Dioxo-1,2,4-oxadiazolidin-2-yl)-L-alanine, Quisqualate; LC-ESI-QQ; MS2 +RECORD_TITLE: L-(+)-a-Amino-3,5-dioxo-1,2,4-oxadiazolidine-2-propanoic Acid, Quisqualic acid, 3-(3,5-Dioxo-1,2,4-oxadiazolidin-2-yl)-L-alanine, Quisqualate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:40539 CH$LINK: INCHIKEY ASNFTDCKZKHJSW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033302.txt index ca97e56e767..757b37b22f3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033302 -RECORD_TITLE: L-(+)-a-Amino-3,5-dioxo-1,2,4-oxadiazolidine-2-propanoic Acid, Quisqualic acid, 3-(3,5-Dioxo-1,2,4-oxadiazolidin-2-yl)-L-alanine, Quisqualate; LC-ESI-QQ; MS2 +RECORD_TITLE: L-(+)-a-Amino-3,5-dioxo-1,2,4-oxadiazolidine-2-propanoic Acid, Quisqualic acid, 3-(3,5-Dioxo-1,2,4-oxadiazolidin-2-yl)-L-alanine, Quisqualate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:40539 CH$LINK: INCHIKEY ASNFTDCKZKHJSW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033303.txt index 26e9debf952..d31d12c16e3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033303 -RECORD_TITLE: L-(+)-a-Amino-3,5-dioxo-1,2,4-oxadiazolidine-2-propanoic Acid, Quisqualic acid, 3-(3,5-Dioxo-1,2,4-oxadiazolidin-2-yl)-L-alanine, Quisqualate; LC-ESI-QQ; MS2 +RECORD_TITLE: L-(+)-a-Amino-3,5-dioxo-1,2,4-oxadiazolidine-2-propanoic Acid, Quisqualic acid, 3-(3,5-Dioxo-1,2,4-oxadiazolidin-2-yl)-L-alanine, Quisqualate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:40539 CH$LINK: INCHIKEY ASNFTDCKZKHJSW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033401.txt index ec1bc4bde4c..c10973b585b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033401 -RECORD_TITLE: Mipa, (-)-Isopropanolamine, D-Alaninol, R-(-)-1-Amino-2-propanol, (R)-(-)-1-aminopropan-2-ol; LC-ESI-QQ; MS2 +RECORD_TITLE: Mipa, (-)-Isopropanolamine, D-Alaninol, R-(-)-1-Amino-2-propanol, (R)-(-)-1-aminopropan-2-ol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439938 CH$LINK: INCHIKEY HXKKHQJGJAFBHI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033402.txt index 7544a4f5025..19244df1fe9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033402 -RECORD_TITLE: Mipa, (-)-Isopropanolamine, D-Alaninol, R-(-)-1-Amino-2-propanol, (R)-(-)-1-aminopropan-2-ol; LC-ESI-QQ; MS2 +RECORD_TITLE: Mipa, (-)-Isopropanolamine, D-Alaninol, R-(-)-1-Amino-2-propanol, (R)-(-)-1-aminopropan-2-ol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439938 CH$LINK: INCHIKEY HXKKHQJGJAFBHI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033501.txt index 6d1ad97f517..a00349edc01 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033501 -RECORD_TITLE: glycero-1P, sn-Gro-1P, rac-Glycerol 1-phosphate, rac-Glycerol 3-phosphoate disodium salt hexahydrate, DL-alpha-Glycerophosphate , glycerophosphoric acid, glycero-3P; LC-ESI-QQ; MS2 +RECORD_TITLE: glycero-1P, sn-Gro-1P, rac-Glycerol 1-phosphate, rac-Glycerol 3-phosphoate disodium salt hexahydrate, DL-alpha-Glycerophosphate , glycerophosphoric acid, glycero-3P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:439162 CH$LINK: INCHIKEY AWUCVROLDVIAJX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033502.txt index 9c99bf0623e..5fc4f545b37 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033502 -RECORD_TITLE: glycero-1P, sn-Gro-1P, rac-Glycerol 1-phosphate, rac-Glycerol 3-phosphoate disodium salt hexahydrate, DL-alpha-Glycerophosphate , glycerophosphoric acid, glycero-3P; LC-ESI-QQ; MS2 +RECORD_TITLE: glycero-1P, sn-Gro-1P, rac-Glycerol 1-phosphate, rac-Glycerol 3-phosphoate disodium salt hexahydrate, DL-alpha-Glycerophosphate , glycerophosphoric acid, glycero-3P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:439162 CH$LINK: INCHIKEY AWUCVROLDVIAJX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033503.txt index ee8ce46801a..cfe2d9102b9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033503 -RECORD_TITLE: glycero-1P, sn-Gro-1P, rac-Glycerol 1-phosphate, rac-Glycerol 3-phosphoate disodium salt hexahydrate, DL-alpha-Glycerophosphate , glycerophosphoric acid, glycero-3P; LC-ESI-QQ; MS2 +RECORD_TITLE: glycero-1P, sn-Gro-1P, rac-Glycerol 1-phosphate, rac-Glycerol 3-phosphoate disodium salt hexahydrate, DL-alpha-Glycerophosphate , glycerophosphoric acid, glycero-3P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:439162 CH$LINK: INCHIKEY AWUCVROLDVIAJX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033507.txt index 69da25e0cfe..f756d13f8ca 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033507 -RECORD_TITLE: glycero-1P, sn-Gro-1P, rac-Glycerol 1-phosphate, rac-Glycerol 3-phosphoate disodium salt hexahydrate, DL-alpha-Glycerophosphate , glycerophosphoric acid, glycero-3P; LC-ESI-QQ; MS2 +RECORD_TITLE: glycero-1P, sn-Gro-1P, rac-Glycerol 1-phosphate, rac-Glycerol 3-phosphoate disodium salt hexahydrate, DL-alpha-Glycerophosphate , glycerophosphoric acid, glycero-3P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:439162 CH$LINK: INCHIKEY AWUCVROLDVIAJX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033509.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033509.txt index 36a9be7b1d7..d28cfa413ba 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033509.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033509.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033509 -RECORD_TITLE: glycero-1P, sn-Gro-1P, rac-Glycerol 1-phosphate, rac-Glycerol 3-phosphoate disodium salt hexahydrate, DL-alpha-Glycerophosphate , glycerophosphoric acid, glycero-3P; LC-ESI-QQ; MS2 +RECORD_TITLE: glycero-1P, sn-Gro-1P, rac-Glycerol 1-phosphate, rac-Glycerol 3-phosphoate disodium salt hexahydrate, DL-alpha-Glycerophosphate , glycerophosphoric acid, glycero-3P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:439162 CH$LINK: INCHIKEY AWUCVROLDVIAJX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033601.txt index 583db063b53..8e1ec95758d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033601 -RECORD_TITLE: Formycinylhomocysteine, S-Adenosylhomocysteine, AdoHcy, S-(5'-Deoxyadenosine-5')-L-homocysteine, S-Adenosyl-L-homocysteine, 5'-Deoxy-S-adenosyl-L-homocysteine; LC-ESI-QQ; MS2 +RECORD_TITLE: Formycinylhomocysteine, S-Adenosylhomocysteine, AdoHcy, S-(5'-Deoxyadenosine-5')-L-homocysteine, S-Adenosyl-L-homocysteine, 5'-Deoxy-S-adenosyl-L-homocysteine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439155 CH$LINK: INCHIKEY ZJUKTBDSGOFHSH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004503; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033602.txt index f4ce188cffb..b04ab0f0e4c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033602 -RECORD_TITLE: Formycinylhomocysteine, S-Adenosylhomocysteine, AdoHcy, S-(5'-Deoxyadenosine-5')-L-homocysteine, S-Adenosyl-L-homocysteine, 5'-Deoxy-S-adenosyl-L-homocysteine; LC-ESI-QQ; MS2 +RECORD_TITLE: Formycinylhomocysteine, S-Adenosylhomocysteine, AdoHcy, S-(5'-Deoxyadenosine-5')-L-homocysteine, S-Adenosyl-L-homocysteine, 5'-Deoxy-S-adenosyl-L-homocysteine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439155 CH$LINK: INCHIKEY ZJUKTBDSGOFHSH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004503; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033603.txt index 5624f289105..2e2ce8eea10 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033603 -RECORD_TITLE: Formycinylhomocysteine, S-Adenosylhomocysteine, AdoHcy, S-(5'-Deoxyadenosine-5')-L-homocysteine, S-Adenosyl-L-homocysteine, 5'-Deoxy-S-adenosyl-L-homocysteine; LC-ESI-QQ; MS2 +RECORD_TITLE: Formycinylhomocysteine, S-Adenosylhomocysteine, AdoHcy, S-(5'-Deoxyadenosine-5')-L-homocysteine, S-Adenosyl-L-homocysteine, 5'-Deoxy-S-adenosyl-L-homocysteine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439155 CH$LINK: INCHIKEY ZJUKTBDSGOFHSH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004503; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033604.txt index be823a0447c..40a1e3e55d0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033604 -RECORD_TITLE: Formycinylhomocysteine, S-Adenosylhomocysteine, AdoHcy, S-(5'-Deoxyadenosine-5')-L-homocysteine, S-Adenosyl-L-homocysteine, 5'-Deoxy-S-adenosyl-L-homocysteine; LC-ESI-QQ; MS2 +RECORD_TITLE: Formycinylhomocysteine, S-Adenosylhomocysteine, AdoHcy, S-(5'-Deoxyadenosine-5')-L-homocysteine, S-Adenosyl-L-homocysteine, 5'-Deoxy-S-adenosyl-L-homocysteine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439155 CH$LINK: INCHIKEY ZJUKTBDSGOFHSH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004503; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033605.txt index e2020866b6c..474af0edf9a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033605 -RECORD_TITLE: Formycinylhomocysteine, S-Adenosylhomocysteine, AdoHcy, S-(5'-Deoxyadenosine-5')-L-homocysteine, S-Adenosyl-L-homocysteine, 5'-Deoxy-S-adenosyl-L-homocysteine; LC-ESI-QQ; MS2 +RECORD_TITLE: Formycinylhomocysteine, S-Adenosylhomocysteine, AdoHcy, S-(5'-Deoxyadenosine-5')-L-homocysteine, S-Adenosyl-L-homocysteine, 5'-Deoxy-S-adenosyl-L-homocysteine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439155 CH$LINK: INCHIKEY ZJUKTBDSGOFHSH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004503; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033606.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033606.txt index dd63d2f7d2c..402fcc128bc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033606.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033606.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033606 -RECORD_TITLE: Formycinylhomocysteine, S-Adenosylhomocysteine, AdoHcy, S-(5'-Deoxyadenosine-5')-L-homocysteine, S-Adenosyl-L-homocysteine, 5'-Deoxy-S-adenosyl-L-homocysteine; LC-ESI-QQ; MS2 +RECORD_TITLE: Formycinylhomocysteine, S-Adenosylhomocysteine, AdoHcy, S-(5'-Deoxyadenosine-5')-L-homocysteine, S-Adenosyl-L-homocysteine, 5'-Deoxy-S-adenosyl-L-homocysteine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439155 CH$LINK: INCHIKEY ZJUKTBDSGOFHSH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004503; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033701.txt index 3b73fccd279..eead2d85df3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033701 -RECORD_TITLE: Methylaminoacetic Acid, Sarcosine, Sar, N-Methylglycocoll, Sarcosinic acid, Methylaminoethanoic acid, N-Methylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Methylaminoacetic Acid, Sarcosine, Sar, N-Methylglycocoll, Sarcosinic acid, Methylaminoethanoic acid, N-Methylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:1088 CH$LINK: INCHIKEY FSYKKLYZXJSNPZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033702.txt index 1ef4cde76aa..e9b6390311a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033702 -RECORD_TITLE: Methylaminoacetic Acid, Sarcosine, Sar, N-Methylglycocoll, Sarcosinic acid, Methylaminoethanoic acid, N-Methylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Methylaminoacetic Acid, Sarcosine, Sar, N-Methylglycocoll, Sarcosinic acid, Methylaminoethanoic acid, N-Methylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:1088 CH$LINK: INCHIKEY FSYKKLYZXJSNPZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033703.txt index 7aea021eeb1..c7cd77cbb8a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033703 -RECORD_TITLE: Methylaminoacetic Acid, Sarcosine, Sar, N-Methylglycocoll, Sarcosinic acid, Methylaminoethanoic acid, N-Methylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Methylaminoacetic Acid, Sarcosine, Sar, N-Methylglycocoll, Sarcosinic acid, Methylaminoethanoic acid, N-Methylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:1088 CH$LINK: INCHIKEY FSYKKLYZXJSNPZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033704.txt index 09ab61e29d9..0aa6faabb63 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033704 -RECORD_TITLE: Methylaminoacetic Acid, Sarcosine, Sar, N-Methylglycocoll, Sarcosinic acid, Methylaminoethanoic acid, N-Methylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Methylaminoacetic Acid, Sarcosine, Sar, N-Methylglycocoll, Sarcosinic acid, Methylaminoethanoic acid, N-Methylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:1088 CH$LINK: INCHIKEY FSYKKLYZXJSNPZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033705.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033705.txt index 8d5d20c0294..c68bb05ba1b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033705.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033705 -RECORD_TITLE: Methylaminoacetic Acid, Sarcosine, Sar, N-Methylglycocoll, Sarcosinic acid, Methylaminoethanoic acid, N-Methylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Methylaminoacetic Acid, Sarcosine, Sar, N-Methylglycocoll, Sarcosinic acid, Methylaminoethanoic acid, N-Methylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:1088 CH$LINK: INCHIKEY FSYKKLYZXJSNPZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033801.txt index e5a01f35bed..3c0bbcde892 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033801 -RECORD_TITLE: L-Carbocisteine, S-Carboxymethyl-L-cysteine, PSCMC, L-Carboxymethylcysteine, Mucodyne; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Carbocisteine, S-Carboxymethyl-L-cysteine, PSCMC, L-Carboxymethylcysteine, Mucodyne; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:193653 CH$LINK: INCHIKEY GBFLZEXEOZUWRN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033901.txt index 7882e4980a1..4317ff4888b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033901 -RECORD_TITLE: Decanedioic acid, Sebacic acid, 1,10-Decanedioic acid, 1,8-Octanedicarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Decanedioic acid, Sebacic acid, 1,10-Decanedioic acid, 1,8-Octanedicarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5192 CH$LINK: INCHIKEY CXMXRPHRNRROMY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033902.txt index 21552890b6d..70ba9ed11e2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033902 -RECORD_TITLE: Decanedioic acid, Sebacic acid, 1,10-Decanedioic acid, 1,8-Octanedicarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Decanedioic acid, Sebacic acid, 1,10-Decanedioic acid, 1,8-Octanedicarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5192 CH$LINK: INCHIKEY CXMXRPHRNRROMY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033907.txt index ed06a4e447a..7527b0948f6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033907 -RECORD_TITLE: Decanedioic acid, Sebacic acid, 1,10-Decanedioic acid, 1,8-Octanedicarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Decanedioic acid, Sebacic acid, 1,10-Decanedioic acid, 1,8-Octanedicarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5192 CH$LINK: INCHIKEY CXMXRPHRNRROMY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033908.txt index 9678cab2c9a..607c8d2a3c6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033908 -RECORD_TITLE: Decanedioic acid, Sebacic acid, 1,10-Decanedioic acid, 1,8-Octanedicarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Decanedioic acid, Sebacic acid, 1,10-Decanedioic acid, 1,8-Octanedicarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5192 CH$LINK: INCHIKEY CXMXRPHRNRROMY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033910.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033910.txt index 8f82eac9366..e388c8ec96e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033910.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS033910.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS033910 -RECORD_TITLE: Decanedioic acid, Sebacic acid, 1,10-Decanedioic acid, 1,8-Octanedicarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Decanedioic acid, Sebacic acid, 1,10-Decanedioic acid, 1,8-Octanedicarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5192 CH$LINK: INCHIKEY CXMXRPHRNRROMY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034001.txt index dd56e5ff1f8..1c984c42208 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS034001 -RECORD_TITLE: 2-Oxoisocaproate, Ketoleucine sodium salt, ketoleucine, Sodium-4-methyl-2-oxovalerate, 4-Methyl-2-oxovaleric acid sodium salt, alpha-Ketoisocaproic acid sodium salt, 4-Methyl-2-oxopentanoate, 4-Methyl-2-oxopentanoic acid sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Oxoisocaproate, Ketoleucine sodium salt, ketoleucine, Sodium-4-methyl-2-oxovalerate, 4-Methyl-2-oxovaleric acid sodium salt, alpha-Ketoisocaproic acid sodium salt, 4-Methyl-2-oxopentanoate, 4-Methyl-2-oxopentanoic acid sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:70 CH$LINK: INCHIKEY BKAJNAXTPSGJCU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034002.txt index 2bc1dbbddee..8ee949b98de 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS034002 -RECORD_TITLE: 2-Oxoisocaproate, Ketoleucine sodium salt, ketoleucine, Sodium-4-methyl-2-oxovalerate, 4-Methyl-2-oxovaleric acid sodium salt, alpha-Ketoisocaproic acid sodium salt, 4-Methyl-2-oxopentanoate, 4-Methyl-2-oxopentanoic acid sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Oxoisocaproate, Ketoleucine sodium salt, ketoleucine, Sodium-4-methyl-2-oxovalerate, 4-Methyl-2-oxovaleric acid sodium salt, alpha-Ketoisocaproic acid sodium salt, 4-Methyl-2-oxopentanoate, 4-Methyl-2-oxopentanoic acid sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:70 CH$LINK: INCHIKEY BKAJNAXTPSGJCU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034003.txt index c3eda022d2e..76caaf62aba 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS034003 -RECORD_TITLE: 2-Oxoisocaproate, Ketoleucine sodium salt, ketoleucine, Sodium-4-methyl-2-oxovalerate, 4-Methyl-2-oxovaleric acid sodium salt, alpha-Ketoisocaproic acid sodium salt, 4-Methyl-2-oxopentanoate, 4-Methyl-2-oxopentanoic acid sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Oxoisocaproate, Ketoleucine sodium salt, ketoleucine, Sodium-4-methyl-2-oxovalerate, 4-Methyl-2-oxovaleric acid sodium salt, alpha-Ketoisocaproic acid sodium salt, 4-Methyl-2-oxopentanoate, 4-Methyl-2-oxopentanoic acid sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:70 CH$LINK: INCHIKEY BKAJNAXTPSGJCU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034007.txt index f6f79c68944..962ea5f91bd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS034007 -RECORD_TITLE: 2-Oxoisocaproate, Ketoleucine sodium salt, ketoleucine, Sodium-4-methyl-2-oxovalerate, 4-Methyl-2-oxovaleric acid sodium salt, alpha-Ketoisocaproic acid sodium salt, 4-Methyl-2-oxopentanoate, 4-Methyl-2-oxopentanoic acid sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Oxoisocaproate, Ketoleucine sodium salt, ketoleucine, Sodium-4-methyl-2-oxovalerate, 4-Methyl-2-oxovaleric acid sodium salt, alpha-Ketoisocaproic acid sodium salt, 4-Methyl-2-oxopentanoate, 4-Methyl-2-oxopentanoic acid sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:70 CH$LINK: INCHIKEY BKAJNAXTPSGJCU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034101.txt index 27ff73c117e..f447adecee6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS034101 -RECORD_TITLE: 4-Azaoctamethylenediamine, Spermidine, N-(3-Aminopropyl)-1,4-diaminobutane, 1,8-Diamino-4-azaoctane, 1,5,10-Triazadecane; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Azaoctamethylenediamine, Spermidine, N-(3-Aminopropyl)-1,4-diaminobutane, 1,8-Diamino-4-azaoctane, 1,5,10-Triazadecane; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:1102 CH$LINK: INCHIKEY ATHGHQPFGPMSJY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034102.txt index 3852dc198c9..163be9cef7e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS034102 -RECORD_TITLE: 4-Azaoctamethylenediamine, Spermidine, N-(3-Aminopropyl)-1,4-diaminobutane, 1,8-Diamino-4-azaoctane, 1,5,10-Triazadecane; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Azaoctamethylenediamine, Spermidine, N-(3-Aminopropyl)-1,4-diaminobutane, 1,8-Diamino-4-azaoctane, 1,5,10-Triazadecane; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:1102 CH$LINK: INCHIKEY ATHGHQPFGPMSJY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034103.txt index 33ea0334257..270b49e16c1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS034103 -RECORD_TITLE: 4-Azaoctamethylenediamine, Spermidine, N-(3-Aminopropyl)-1,4-diaminobutane, 1,8-Diamino-4-azaoctane, 1,5,10-Triazadecane; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Azaoctamethylenediamine, Spermidine, N-(3-Aminopropyl)-1,4-diaminobutane, 1,8-Diamino-4-azaoctane, 1,5,10-Triazadecane; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:1102 CH$LINK: INCHIKEY ATHGHQPFGPMSJY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034201.txt index 15ccd515b39..0ca06c15c97 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS034201 -RECORD_TITLE: 4,9-Diaza-1,12-dodecanediamine, 4,9-diazadodecamethylenediamine, 4,9-Diazadodecane-1,12-diamine, Musculamine, Spermine, Gerontine, Neuridine, N,N'-Bis(3-aminopropyl)-1,4-diaminobutane, Diaminopropyltetramethylenediamine; LC-ESI-QQ; MS2 +RECORD_TITLE: 4,9-Diaza-1,12-dodecanediamine, 4,9-diazadodecamethylenediamine, 4,9-Diazadodecane-1,12-diamine, Musculamine, Spermine, Gerontine, Neuridine, N,N'-Bis(3-aminopropyl)-1,4-diaminobutane, Diaminopropyltetramethylenediamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:1103 CH$LINK: INCHIKEY PFNFFQXMRSDOHW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034202.txt index 4dc9724d587..3e847f41292 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS034202 -RECORD_TITLE: 4,9-Diaza-1,12-dodecanediamine, 4,9-diazadodecamethylenediamine, 4,9-Diazadodecane-1,12-diamine, Musculamine, Spermine, Gerontine, Neuridine, N,N'-Bis(3-aminopropyl)-1,4-diaminobutane, Diaminopropyltetramethylenediamine; LC-ESI-QQ; MS2 +RECORD_TITLE: 4,9-Diaza-1,12-dodecanediamine, 4,9-diazadodecamethylenediamine, 4,9-Diazadodecane-1,12-diamine, Musculamine, Spermine, Gerontine, Neuridine, N,N'-Bis(3-aminopropyl)-1,4-diaminobutane, Diaminopropyltetramethylenediamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:1103 CH$LINK: INCHIKEY PFNFFQXMRSDOHW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034203.txt index 38d00390398..8d23a908ecb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS034203 -RECORD_TITLE: 4,9-Diaza-1,12-dodecanediamine, 4,9-diazadodecamethylenediamine, 4,9-Diazadodecane-1,12-diamine, Musculamine, Spermine, Gerontine, Neuridine, N,N'-Bis(3-aminopropyl)-1,4-diaminobutane, Diaminopropyltetramethylenediamine; LC-ESI-QQ; MS2 +RECORD_TITLE: 4,9-Diaza-1,12-dodecanediamine, 4,9-diazadodecamethylenediamine, 4,9-Diazadodecane-1,12-diamine, Musculamine, Spermine, Gerontine, Neuridine, N,N'-Bis(3-aminopropyl)-1,4-diaminobutane, Diaminopropyltetramethylenediamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:1103 CH$LINK: INCHIKEY PFNFFQXMRSDOHW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034204.txt index 6c42d7865ec..132fdcaf5be 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS034204 -RECORD_TITLE: 4,9-Diaza-1,12-dodecanediamine, 4,9-diazadodecamethylenediamine, 4,9-Diazadodecane-1,12-diamine, Musculamine, Spermine, Gerontine, Neuridine, N,N'-Bis(3-aminopropyl)-1,4-diaminobutane, Diaminopropyltetramethylenediamine; LC-ESI-QQ; MS2 +RECORD_TITLE: 4,9-Diaza-1,12-dodecanediamine, 4,9-diazadodecamethylenediamine, 4,9-Diazadodecane-1,12-diamine, Musculamine, Spermine, Gerontine, Neuridine, N,N'-Bis(3-aminopropyl)-1,4-diaminobutane, Diaminopropyltetramethylenediamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:1103 CH$LINK: INCHIKEY PFNFFQXMRSDOHW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034407.txt index a1cb4784d22..9d4095cfcb2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS034407 -RECORD_TITLE: Succinic acid, Asuccin, Dicarboxylic Acid C4, 1,2-Ethanedicarboxylic acid, Ethylene Dicarboxylic Acid, Butanedioic acid, Succinate, Dihydrofumaric acid, Amber acid, Wormwood acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Succinic acid, Asuccin, Dicarboxylic Acid C4, 1,2-Ethanedicarboxylic acid, Ethylene Dicarboxylic Acid, Butanedioic acid, Succinate, Dihydrofumaric acid, Amber acid, Wormwood acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:1110 CH$LINK: INCHIKEY KDYFGRWQOYBRFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034701.txt index 8afcafdf824..27ff3aa1c85 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS034701 -RECORD_TITLE: Taurine, 2-Aminoethanesulfonic Acid, O-Due, 2-Sulfoethylamine, Tauphon; LC-ESI-QQ; MS2 +RECORD_TITLE: Taurine, 2-Aminoethanesulfonic Acid, O-Due, 2-Sulfoethylamine, Tauphon; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:1123 CH$LINK: INCHIKEY XOAAWQZATWQOTB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034702.txt index 8f30f7ec0d3..980a42afa04 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS034702 -RECORD_TITLE: Taurine, 2-Aminoethanesulfonic Acid, O-Due, 2-Sulfoethylamine, Tauphon; LC-ESI-QQ; MS2 +RECORD_TITLE: Taurine, 2-Aminoethanesulfonic Acid, O-Due, 2-Sulfoethylamine, Tauphon; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:1123 CH$LINK: INCHIKEY XOAAWQZATWQOTB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034703.txt index 3e454006a4b..0be55648aaa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS034703 -RECORD_TITLE: Taurine, 2-Aminoethanesulfonic Acid, O-Due, 2-Sulfoethylamine, Tauphon; LC-ESI-QQ; MS2 +RECORD_TITLE: Taurine, 2-Aminoethanesulfonic Acid, O-Due, 2-Sulfoethylamine, Tauphon; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:1123 CH$LINK: INCHIKEY XOAAWQZATWQOTB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034705.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034705.txt index ae07a453cda..701d25aea34 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034705.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS034705 -RECORD_TITLE: Taurine, 2-Aminoethanesulfonic Acid, O-Due, 2-Sulfoethylamine, Tauphon; LC-ESI-QQ; MS2 +RECORD_TITLE: Taurine, 2-Aminoethanesulfonic Acid, O-Due, 2-Sulfoethylamine, Tauphon; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:1123 CH$LINK: INCHIKEY XOAAWQZATWQOTB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034707.txt index 5d492970deb..c437270200b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS034707 -RECORD_TITLE: Taurine, 2-Aminoethanesulfonic Acid, O-Due, 2-Sulfoethylamine, Tauphon; LC-ESI-QQ; MS2 +RECORD_TITLE: Taurine, 2-Aminoethanesulfonic Acid, O-Due, 2-Sulfoethylamine, Tauphon; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:1123 CH$LINK: INCHIKEY XOAAWQZATWQOTB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034901.txt index 1d5f015ed1a..7b704b65393 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS034901 -RECORD_TITLE: Thiabendazole, Decco, Omnizole, Bioguard, LSP, 2-(4-Thiazolyl)benzimidazole, Lombristop, Thiabendazol, Bovizole, Merfect, Cropasal; LC-ESI-QQ; MS2 +RECORD_TITLE: Thiabendazole, Decco, Omnizole, Bioguard, LSP, 2-(4-Thiazolyl)benzimidazole, Lombristop, Thiabendazol, Bovizole, Merfect, Cropasal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:5430 CH$LINK: INCHIKEY WJCNZQLZVWNLKY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034902.txt index 8ee36dac63f..45e19fd0be6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS034902 -RECORD_TITLE: Thiabendazole, Decco, Omnizole, Bioguard, LSP, 2-(4-Thiazolyl)benzimidazole, Lombristop, Thiabendazol, Bovizole, Merfect, Cropasal; LC-ESI-QQ; MS2 +RECORD_TITLE: Thiabendazole, Decco, Omnizole, Bioguard, LSP, 2-(4-Thiazolyl)benzimidazole, Lombristop, Thiabendazol, Bovizole, Merfect, Cropasal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:5430 CH$LINK: INCHIKEY WJCNZQLZVWNLKY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034903.txt index 99bdedb2b66..2d6f306cce7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS034903 -RECORD_TITLE: Thiabendazole, Decco, Omnizole, Bioguard, LSP, 2-(4-Thiazolyl)benzimidazole, Lombristop, Thiabendazol, Bovizole, Merfect, Cropasal; LC-ESI-QQ; MS2 +RECORD_TITLE: Thiabendazole, Decco, Omnizole, Bioguard, LSP, 2-(4-Thiazolyl)benzimidazole, Lombristop, Thiabendazol, Bovizole, Merfect, Cropasal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:5430 CH$LINK: INCHIKEY WJCNZQLZVWNLKY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034904.txt index 101268e0d18..f08faa8d304 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS034904 -RECORD_TITLE: Thiabendazole, Decco, Omnizole, Bioguard, LSP, 2-(4-Thiazolyl)benzimidazole, Lombristop, Thiabendazol, Bovizole, Merfect, Cropasal; LC-ESI-QQ; MS2 +RECORD_TITLE: Thiabendazole, Decco, Omnizole, Bioguard, LSP, 2-(4-Thiazolyl)benzimidazole, Lombristop, Thiabendazol, Bovizole, Merfect, Cropasal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:5430 CH$LINK: INCHIKEY WJCNZQLZVWNLKY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034905.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034905.txt index 77dae73e95e..fba334b281a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034905.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS034905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS034905 -RECORD_TITLE: Thiabendazole, Decco, Omnizole, Bioguard, LSP, 2-(4-Thiazolyl)benzimidazole, Lombristop, Thiabendazol, Bovizole, Merfect, Cropasal; LC-ESI-QQ; MS2 +RECORD_TITLE: Thiabendazole, Decco, Omnizole, Bioguard, LSP, 2-(4-Thiazolyl)benzimidazole, Lombristop, Thiabendazol, Bovizole, Merfect, Cropasal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:5430 CH$LINK: INCHIKEY WJCNZQLZVWNLKY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035407.txt index aa3d30e6625..c2818927846 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035407 -RECORD_TITLE: Thioglycolic acid solution , Mercaptoacetic acid, Mercaptoethanoic acid, Thioglycolate, Thiovanic acid, TGA, Mercaptoacetate; LC-ESI-QQ; MS2 +RECORD_TITLE: Thioglycolic acid solution , Mercaptoacetic acid, Mercaptoethanoic acid, Thioglycolate, Thiovanic acid, TGA, Mercaptoacetate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:1133 CH$LINK: INCHIKEY CWERGRDVMFNCDR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035408.txt index f2467d9edd3..64064273d43 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035408 -RECORD_TITLE: Thioglycolic acid solution , Mercaptoacetic acid, Mercaptoethanoic acid, Thioglycolate, Thiovanic acid, TGA, Mercaptoacetate; LC-ESI-QQ; MS2 +RECORD_TITLE: Thioglycolic acid solution , Mercaptoacetic acid, Mercaptoethanoic acid, Thioglycolate, Thiovanic acid, TGA, Mercaptoacetate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:1133 CH$LINK: INCHIKEY CWERGRDVMFNCDR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035501.txt index 1974b0c2e3c..3a2200c3afa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035501 -RECORD_TITLE: Dthyd, 5-Methyldeoxyurindine, Thymine-2'-deoxyriboside, 1-(2-Deoxy-beta-D-ribofuranosyl)-5-methyluracil, Thymidine, 5-Methyldeoxyuridine, 2'-Deoxythymidine, 1-(2-Deoxy-beta-D-ribofuranosyl)thymine, dT, dThd; LC-ESI-QQ; MS2 +RECORD_TITLE: Dthyd, 5-Methyldeoxyurindine, Thymine-2'-deoxyriboside, 1-(2-Deoxy-beta-D-ribofuranosyl)-5-methyluracil, Thymidine, 5-Methyldeoxyuridine, 2'-Deoxythymidine, 1-(2-Deoxy-beta-D-ribofuranosyl)thymine, dT, dThd; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5789 CH$LINK: INCHIKEY IQFYYKKMVGJFEH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035502.txt index f77c880e3a2..e3ebd1534a5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035502 -RECORD_TITLE: Dthyd, 5-Methyldeoxyurindine, Thymine-2'-deoxyriboside, 1-(2-Deoxy-beta-D-ribofuranosyl)-5-methyluracil, Thymidine, 5-Methyldeoxyuridine, 2'-Deoxythymidine, 1-(2-Deoxy-beta-D-ribofuranosyl)thymine, dT, dThd; LC-ESI-QQ; MS2 +RECORD_TITLE: Dthyd, 5-Methyldeoxyurindine, Thymine-2'-deoxyriboside, 1-(2-Deoxy-beta-D-ribofuranosyl)-5-methyluracil, Thymidine, 5-Methyldeoxyuridine, 2'-Deoxythymidine, 1-(2-Deoxy-beta-D-ribofuranosyl)thymine, dT, dThd; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5789 CH$LINK: INCHIKEY IQFYYKKMVGJFEH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035503.txt index 6f74bf72842..c1374221ebf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035503 -RECORD_TITLE: Dthyd, 5-Methyldeoxyurindine, Thymine-2'-deoxyriboside, 1-(2-Deoxy-beta-D-ribofuranosyl)-5-methyluracil, Thymidine, 5-Methyldeoxyuridine, 2'-Deoxythymidine, 1-(2-Deoxy-beta-D-ribofuranosyl)thymine, dT, dThd; LC-ESI-QQ; MS2 +RECORD_TITLE: Dthyd, 5-Methyldeoxyurindine, Thymine-2'-deoxyriboside, 1-(2-Deoxy-beta-D-ribofuranosyl)-5-methyluracil, Thymidine, 5-Methyldeoxyuridine, 2'-Deoxythymidine, 1-(2-Deoxy-beta-D-ribofuranosyl)thymine, dT, dThd; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5789 CH$LINK: INCHIKEY IQFYYKKMVGJFEH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035504.txt index 24de12f3405..4002f3ddbfd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035504 -RECORD_TITLE: Dthyd, 5-Methyldeoxyurindine, Thymine-2'-deoxyriboside, 1-(2-Deoxy-beta-D-ribofuranosyl)-5-methyluracil, Thymidine, 5-Methyldeoxyuridine, 2'-Deoxythymidine, 1-(2-Deoxy-beta-D-ribofuranosyl)thymine, dT, dThd; LC-ESI-QQ; MS2 +RECORD_TITLE: Dthyd, 5-Methyldeoxyurindine, Thymine-2'-deoxyriboside, 1-(2-Deoxy-beta-D-ribofuranosyl)-5-methyluracil, Thymidine, 5-Methyldeoxyuridine, 2'-Deoxythymidine, 1-(2-Deoxy-beta-D-ribofuranosyl)thymine, dT, dThd; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5789 CH$LINK: INCHIKEY IQFYYKKMVGJFEH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035507.txt index 4c1ef471dd8..14666711485 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035507 -RECORD_TITLE: Dthyd, 5-Methyldeoxyurindine, Thymine-2'-deoxyriboside, 1-(2-Deoxy-beta-D-ribofuranosyl)-5-methyluracil, Thymidine, 5-Methyldeoxyuridine, 2'-Deoxythymidine, 1-(2-Deoxy-beta-D-ribofuranosyl)thymine, dT, dThd; LC-ESI-QQ; MS2 +RECORD_TITLE: Dthyd, 5-Methyldeoxyurindine, Thymine-2'-deoxyriboside, 1-(2-Deoxy-beta-D-ribofuranosyl)-5-methyluracil, Thymidine, 5-Methyldeoxyuridine, 2'-Deoxythymidine, 1-(2-Deoxy-beta-D-ribofuranosyl)thymine, dT, dThd; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5789 CH$LINK: INCHIKEY IQFYYKKMVGJFEH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035508.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035508.txt index 640084eaa84..44195c0b2c4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035508.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035508 -RECORD_TITLE: Dthyd, 5-Methyldeoxyurindine, Thymine-2'-deoxyriboside, 1-(2-Deoxy-beta-D-ribofuranosyl)-5-methyluracil, Thymidine, 5-Methyldeoxyuridine, 2'-Deoxythymidine, 1-(2-Deoxy-beta-D-ribofuranosyl)thymine, dT, dThd; LC-ESI-QQ; MS2 +RECORD_TITLE: Dthyd, 5-Methyldeoxyurindine, Thymine-2'-deoxyriboside, 1-(2-Deoxy-beta-D-ribofuranosyl)-5-methyluracil, Thymidine, 5-Methyldeoxyuridine, 2'-Deoxythymidine, 1-(2-Deoxy-beta-D-ribofuranosyl)thymine, dT, dThd; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5789 CH$LINK: INCHIKEY IQFYYKKMVGJFEH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035509.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035509.txt index 3a106d4d84b..d95eac5a451 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035509.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035509.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035509 -RECORD_TITLE: Dthyd, 5-Methyldeoxyurindine, Thymine-2'-deoxyriboside, 1-(2-Deoxy-beta-D-ribofuranosyl)-5-methyluracil, Thymidine, 5-Methyldeoxyuridine, 2'-Deoxythymidine, 1-(2-Deoxy-beta-D-ribofuranosyl)thymine, dT, dThd; LC-ESI-QQ; MS2 +RECORD_TITLE: Dthyd, 5-Methyldeoxyurindine, Thymine-2'-deoxyriboside, 1-(2-Deoxy-beta-D-ribofuranosyl)-5-methyluracil, Thymidine, 5-Methyldeoxyuridine, 2'-Deoxythymidine, 1-(2-Deoxy-beta-D-ribofuranosyl)thymine, dT, dThd; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5789 CH$LINK: INCHIKEY IQFYYKKMVGJFEH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035601.txt index 5594882c5a5..3589472bf00 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035601 -RECORD_TITLE: 3',5'-Cyclic deoxy-TMP, cdTMP, Deoxythymidine-3',5'-cyclic monophosphate, Thymidine-3',5'-cyclic monophosphate sodium salt ; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5'-Cyclic deoxy-TMP, cdTMP, Deoxythymidine-3',5'-cyclic monophosphate, Thymidine-3',5'-cyclic monophosphate sodium salt ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5464 CH$LINK: INCHIKEY QSJFDOVQWZVUQG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035602.txt index 0cb85e97e5c..5861ff04c4c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035602 -RECORD_TITLE: 3',5'-Cyclic deoxy-TMP, cdTMP, Deoxythymidine-3',5'-cyclic monophosphate, Thymidine-3',5'-cyclic monophosphate sodium salt ; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5'-Cyclic deoxy-TMP, cdTMP, Deoxythymidine-3',5'-cyclic monophosphate, Thymidine-3',5'-cyclic monophosphate sodium salt ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5464 CH$LINK: INCHIKEY QSJFDOVQWZVUQG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035603.txt index 55ed0e95b98..00064a438d5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035603 -RECORD_TITLE: 3',5'-Cyclic deoxy-TMP, cdTMP, Deoxythymidine-3',5'-cyclic monophosphate, Thymidine-3',5'-cyclic monophosphate sodium salt ; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5'-Cyclic deoxy-TMP, cdTMP, Deoxythymidine-3',5'-cyclic monophosphate, Thymidine-3',5'-cyclic monophosphate sodium salt ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5464 CH$LINK: INCHIKEY QSJFDOVQWZVUQG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035604.txt index dcd71e57a4e..3dc796ff817 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035604 -RECORD_TITLE: 3',5'-Cyclic deoxy-TMP, cdTMP, Deoxythymidine-3',5'-cyclic monophosphate, Thymidine-3',5'-cyclic monophosphate sodium salt ; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5'-Cyclic deoxy-TMP, cdTMP, Deoxythymidine-3',5'-cyclic monophosphate, Thymidine-3',5'-cyclic monophosphate sodium salt ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5464 CH$LINK: INCHIKEY QSJFDOVQWZVUQG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035605.txt index 188dcedb738..b200ed6609d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035605 -RECORD_TITLE: 3',5'-Cyclic deoxy-TMP, cdTMP, Deoxythymidine-3',5'-cyclic monophosphate, Thymidine-3',5'-cyclic monophosphate sodium salt ; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5'-Cyclic deoxy-TMP, cdTMP, Deoxythymidine-3',5'-cyclic monophosphate, Thymidine-3',5'-cyclic monophosphate sodium salt ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5464 CH$LINK: INCHIKEY QSJFDOVQWZVUQG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035606.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035606.txt index 390f101e4fb..783a1ac01df 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035606.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035606.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035606 -RECORD_TITLE: 3',5'-Cyclic deoxy-TMP, cdTMP, Deoxythymidine-3',5'-cyclic monophosphate, Thymidine-3',5'-cyclic monophosphate sodium salt ; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5'-Cyclic deoxy-TMP, cdTMP, Deoxythymidine-3',5'-cyclic monophosphate, Thymidine-3',5'-cyclic monophosphate sodium salt ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5464 CH$LINK: INCHIKEY QSJFDOVQWZVUQG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035607.txt index e6c420b446f..934396fa490 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035607 -RECORD_TITLE: 3',5'-Cyclic deoxy-TMP, cdTMP, Deoxythymidine-3',5'-cyclic monophosphate, Thymidine-3',5'-cyclic monophosphate sodium salt ; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5'-Cyclic deoxy-TMP, cdTMP, Deoxythymidine-3',5'-cyclic monophosphate, Thymidine-3',5'-cyclic monophosphate sodium salt ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5464 CH$LINK: INCHIKEY QSJFDOVQWZVUQG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035608.txt index 1dca23527a3..983194bc8c9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035608 -RECORD_TITLE: 3',5'-Cyclic deoxy-TMP, cdTMP, Deoxythymidine-3',5'-cyclic monophosphate, Thymidine-3',5'-cyclic monophosphate sodium salt ; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5'-Cyclic deoxy-TMP, cdTMP, Deoxythymidine-3',5'-cyclic monophosphate, Thymidine-3',5'-cyclic monophosphate sodium salt ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5464 CH$LINK: INCHIKEY QSJFDOVQWZVUQG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035609.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035609.txt index 4811f5ff4ed..f241490e06c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035609.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035609.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035609 -RECORD_TITLE: 3',5'-Cyclic deoxy-TMP, cdTMP, Deoxythymidine-3',5'-cyclic monophosphate, Thymidine-3',5'-cyclic monophosphate sodium salt ; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5'-Cyclic deoxy-TMP, cdTMP, Deoxythymidine-3',5'-cyclic monophosphate, Thymidine-3',5'-cyclic monophosphate sodium salt ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5464 CH$LINK: INCHIKEY QSJFDOVQWZVUQG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035611.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035611.txt index 1ff19202040..fa6e5895721 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035611.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035611.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035611 -RECORD_TITLE: 3',5'-Cyclic deoxy-TMP, cdTMP, Deoxythymidine-3',5'-cyclic monophosphate, Thymidine-3',5'-cyclic monophosphate sodium salt ; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5'-Cyclic deoxy-TMP, cdTMP, Deoxythymidine-3',5'-cyclic monophosphate, Thymidine-3',5'-cyclic monophosphate sodium salt ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5464 CH$LINK: INCHIKEY QSJFDOVQWZVUQG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035612.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035612.txt index 7e94be92c6c..ab85df41b56 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035612.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035612.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035612 -RECORD_TITLE: 3',5'-Cyclic deoxy-TMP, cdTMP, Deoxythymidine-3',5'-cyclic monophosphate, Thymidine-3',5'-cyclic monophosphate sodium salt ; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5'-Cyclic deoxy-TMP, cdTMP, Deoxythymidine-3',5'-cyclic monophosphate, Thymidine-3',5'-cyclic monophosphate sodium salt ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5464 CH$LINK: INCHIKEY QSJFDOVQWZVUQG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035702.txt index d2a9d1c2703..fb30a2b199c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035702 -RECORD_TITLE: dTDP, Thymidine-5'-diphosphate sodium salt, Deoxythymidine 5'-diphosphate, deoxy-TDP; LC-ESI-QQ; MS2 +RECORD_TITLE: dTDP, Thymidine-5'-diphosphate sodium salt, Deoxythymidine 5'-diphosphate, deoxy-TDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:164628 CH$LINK: INCHIKEY UJLXYODCHAELLY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035703.txt index 2dfa74cc091..2c29400c7f5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035703 -RECORD_TITLE: dTDP, Thymidine-5'-diphosphate sodium salt, Deoxythymidine 5'-diphosphate, deoxy-TDP; LC-ESI-QQ; MS2 +RECORD_TITLE: dTDP, Thymidine-5'-diphosphate sodium salt, Deoxythymidine 5'-diphosphate, deoxy-TDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:164628 CH$LINK: INCHIKEY UJLXYODCHAELLY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035704.txt index 09a2f59adc7..42621e64d50 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035704 -RECORD_TITLE: dTDP, Thymidine-5'-diphosphate sodium salt, Deoxythymidine 5'-diphosphate, deoxy-TDP; LC-ESI-QQ; MS2 +RECORD_TITLE: dTDP, Thymidine-5'-diphosphate sodium salt, Deoxythymidine 5'-diphosphate, deoxy-TDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:164628 CH$LINK: INCHIKEY UJLXYODCHAELLY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035707.txt index b6fd1b55a88..4a1b4ca319f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035707 -RECORD_TITLE: dTDP, Thymidine-5'-diphosphate sodium salt, Deoxythymidine 5'-diphosphate, deoxy-TDP; LC-ESI-QQ; MS2 +RECORD_TITLE: dTDP, Thymidine-5'-diphosphate sodium salt, Deoxythymidine 5'-diphosphate, deoxy-TDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:164628 CH$LINK: INCHIKEY UJLXYODCHAELLY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035708.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035708.txt index 1aeddb8e9e6..ca4032b7296 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035708.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035708 -RECORD_TITLE: dTDP, Thymidine-5'-diphosphate sodium salt, Deoxythymidine 5'-diphosphate, deoxy-TDP; LC-ESI-QQ; MS2 +RECORD_TITLE: dTDP, Thymidine-5'-diphosphate sodium salt, Deoxythymidine 5'-diphosphate, deoxy-TDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:164628 CH$LINK: INCHIKEY UJLXYODCHAELLY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035711.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035711.txt index b7dfb71589e..4efb0c5e44f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035711.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035711.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035711 -RECORD_TITLE: dTDP, Thymidine-5'-diphosphate sodium salt, Deoxythymidine 5'-diphosphate, deoxy-TDP; LC-ESI-QQ; MS2 +RECORD_TITLE: dTDP, Thymidine-5'-diphosphate sodium salt, Deoxythymidine 5'-diphosphate, deoxy-TDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:164628 CH$LINK: INCHIKEY UJLXYODCHAELLY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035801.txt index bead52e43b3..769f5b7cbec 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035801 -RECORD_TITLE: Thymidylate, Deoxythymidylic acid, deoxy-TMP, Thymidylic acid, Thymidine-5'-monophosphate, Deoxythymidine 5'-phosphate, dTMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Thymidylate, Deoxythymidylic acid, deoxy-TMP, Thymidylic acid, Thymidine-5'-monophosphate, Deoxythymidine 5'-phosphate, dTMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:9700 CH$LINK: INCHIKEY GYOZYWVXFNDGLU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035802.txt index 6867fd5cca6..f495aff9666 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035802 -RECORD_TITLE: Thymidylate, Deoxythymidylic acid, deoxy-TMP, Thymidylic acid, Thymidine-5'-monophosphate, Deoxythymidine 5'-phosphate, dTMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Thymidylate, Deoxythymidylic acid, deoxy-TMP, Thymidylic acid, Thymidine-5'-monophosphate, Deoxythymidine 5'-phosphate, dTMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:9700 CH$LINK: INCHIKEY GYOZYWVXFNDGLU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035803.txt index f65869890d4..1c481ea21e7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035803 -RECORD_TITLE: Thymidylate, Deoxythymidylic acid, deoxy-TMP, Thymidylic acid, Thymidine-5'-monophosphate, Deoxythymidine 5'-phosphate, dTMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Thymidylate, Deoxythymidylic acid, deoxy-TMP, Thymidylic acid, Thymidine-5'-monophosphate, Deoxythymidine 5'-phosphate, dTMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:9700 CH$LINK: INCHIKEY GYOZYWVXFNDGLU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035804.txt index d3be77d8c8f..8a2ffbc1abc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035804 -RECORD_TITLE: Thymidylate, Deoxythymidylic acid, deoxy-TMP, Thymidylic acid, Thymidine-5'-monophosphate, Deoxythymidine 5'-phosphate, dTMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Thymidylate, Deoxythymidylic acid, deoxy-TMP, Thymidylic acid, Thymidine-5'-monophosphate, Deoxythymidine 5'-phosphate, dTMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:9700 CH$LINK: INCHIKEY GYOZYWVXFNDGLU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035805.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035805.txt index 831beaef116..1454c678cf6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035805.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035805 -RECORD_TITLE: Thymidylate, Deoxythymidylic acid, deoxy-TMP, Thymidylic acid, Thymidine-5'-monophosphate, Deoxythymidine 5'-phosphate, dTMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Thymidylate, Deoxythymidylic acid, deoxy-TMP, Thymidylic acid, Thymidine-5'-monophosphate, Deoxythymidine 5'-phosphate, dTMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:9700 CH$LINK: INCHIKEY GYOZYWVXFNDGLU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035806.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035806.txt index 3887848df4f..f320129b6e3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035806.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035806.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035806 -RECORD_TITLE: Thymidylate, Deoxythymidylic acid, deoxy-TMP, Thymidylic acid, Thymidine-5'-monophosphate, Deoxythymidine 5'-phosphate, dTMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Thymidylate, Deoxythymidylic acid, deoxy-TMP, Thymidylic acid, Thymidine-5'-monophosphate, Deoxythymidine 5'-phosphate, dTMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:9700 CH$LINK: INCHIKEY GYOZYWVXFNDGLU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035807.txt index 09eb9c38d04..0865b27d149 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035807 -RECORD_TITLE: Thymidylate, Deoxythymidylic acid, deoxy-TMP, Thymidylic acid, Thymidine-5'-monophosphate, Deoxythymidine 5'-phosphate, dTMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Thymidylate, Deoxythymidylic acid, deoxy-TMP, Thymidylic acid, Thymidine-5'-monophosphate, Deoxythymidine 5'-phosphate, dTMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:9700 CH$LINK: INCHIKEY GYOZYWVXFNDGLU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035808.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035808.txt index 98fec03b79b..f2191a676a6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035808.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035808 -RECORD_TITLE: Thymidylate, Deoxythymidylic acid, deoxy-TMP, Thymidylic acid, Thymidine-5'-monophosphate, Deoxythymidine 5'-phosphate, dTMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Thymidylate, Deoxythymidylic acid, deoxy-TMP, Thymidylic acid, Thymidine-5'-monophosphate, Deoxythymidine 5'-phosphate, dTMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:9700 CH$LINK: INCHIKEY GYOZYWVXFNDGLU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035810.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035810.txt index 167870a1fef..9db06421c4f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035810.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035810.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035810 -RECORD_TITLE: Thymidylate, Deoxythymidylic acid, deoxy-TMP, Thymidylic acid, Thymidine-5'-monophosphate, Deoxythymidine 5'-phosphate, dTMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Thymidylate, Deoxythymidylic acid, deoxy-TMP, Thymidylic acid, Thymidine-5'-monophosphate, Deoxythymidine 5'-phosphate, dTMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:9700 CH$LINK: INCHIKEY GYOZYWVXFNDGLU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035811.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035811.txt index 1ee01f8185a..9c1d058ff68 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035811.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035811.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035811 -RECORD_TITLE: Thymidylate, Deoxythymidylic acid, deoxy-TMP, Thymidylic acid, Thymidine-5'-monophosphate, Deoxythymidine 5'-phosphate, dTMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Thymidylate, Deoxythymidylic acid, deoxy-TMP, Thymidylic acid, Thymidine-5'-monophosphate, Deoxythymidine 5'-phosphate, dTMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:9700 CH$LINK: INCHIKEY GYOZYWVXFNDGLU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035812.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035812.txt index dcad91e55a1..76c0d8e3733 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035812.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035812.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035812 -RECORD_TITLE: Thymidylate, Deoxythymidylic acid, deoxy-TMP, Thymidylic acid, Thymidine-5'-monophosphate, Deoxythymidine 5'-phosphate, dTMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Thymidylate, Deoxythymidylic acid, deoxy-TMP, Thymidylic acid, Thymidine-5'-monophosphate, Deoxythymidine 5'-phosphate, dTMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:9700 CH$LINK: INCHIKEY GYOZYWVXFNDGLU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035906.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035906.txt index fe7ffab0781..e798774624a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035906.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035906.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035906 -RECORD_TITLE: Deoxythymidine 5'-triphosphate, Deoxythymidine triphosphate, TTP, Thymidine-5'-triphosphate sodium salt, dTTP, deoxy-TTP; LC-ESI-QQ; MS2 +RECORD_TITLE: Deoxythymidine 5'-triphosphate, Deoxythymidine triphosphate, TTP, Thymidine-5'-triphosphate sodium salt, dTTP, deoxy-TTP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:64968 CH$LINK: INCHIKEY NHVNXKFIZYSCEB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035907.txt index a623f8f969a..1c767f2cd4c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035907 -RECORD_TITLE: Deoxythymidine 5'-triphosphate, Deoxythymidine triphosphate, TTP, Thymidine-5'-triphosphate sodium salt, dTTP, deoxy-TTP; LC-ESI-QQ; MS2 +RECORD_TITLE: Deoxythymidine 5'-triphosphate, Deoxythymidine triphosphate, TTP, Thymidine-5'-triphosphate sodium salt, dTTP, deoxy-TTP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:64968 CH$LINK: INCHIKEY NHVNXKFIZYSCEB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035908.txt index e2b7198739a..ebcf7bad22c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS035908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS035908 -RECORD_TITLE: Deoxythymidine 5'-triphosphate, Deoxythymidine triphosphate, TTP, Thymidine-5'-triphosphate sodium salt, dTTP, deoxy-TTP; LC-ESI-QQ; MS2 +RECORD_TITLE: Deoxythymidine 5'-triphosphate, Deoxythymidine triphosphate, TTP, Thymidine-5'-triphosphate sodium salt, dTTP, deoxy-TTP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:64968 CH$LINK: INCHIKEY NHVNXKFIZYSCEB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036101.txt index f2d900c5a82..8209511dbf6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036101 -RECORD_TITLE: 2,4-Dihydroxy-5-methylpyrimidine, T, 5-Methyluracil, Thymine, 5-Methylpyrimidine-2,4-diol; LC-ESI-QQ; MS2 +RECORD_TITLE: 2,4-Dihydroxy-5-methylpyrimidine, T, 5-Methyluracil, Thymine, 5-Methylpyrimidine-2,4-diol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:1135 CH$LINK: INCHIKEY RWQNBRDOKXIBIV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036102.txt index 7896bb7404e..2c2b2438c11 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036102 -RECORD_TITLE: 2,4-Dihydroxy-5-methylpyrimidine, T, 5-Methyluracil, Thymine, 5-Methylpyrimidine-2,4-diol; LC-ESI-QQ; MS2 +RECORD_TITLE: 2,4-Dihydroxy-5-methylpyrimidine, T, 5-Methyluracil, Thymine, 5-Methylpyrimidine-2,4-diol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:1135 CH$LINK: INCHIKEY RWQNBRDOKXIBIV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036107.txt index 713c1aec06e..759e4e142af 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036107 -RECORD_TITLE: 2,4-Dihydroxy-5-methylpyrimidine, T, 5-Methyluracil, Thymine, 5-Methylpyrimidine-2,4-diol; LC-ESI-QQ; MS2 +RECORD_TITLE: 2,4-Dihydroxy-5-methylpyrimidine, T, 5-Methyluracil, Thymine, 5-Methylpyrimidine-2,4-diol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:1135 CH$LINK: INCHIKEY RWQNBRDOKXIBIV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036201.txt index 9eb2a27c959..346d7253f3c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036201 -RECORD_TITLE: Hyp, Hypro, trans-4-Hydroxy-L-proline, (2S,4R)-4-Hydroxypyrrolidine-2-carboxylic acid, Oxaceprol; LC-ESI-QQ; MS2 +RECORD_TITLE: Hyp, Hypro, trans-4-Hydroxy-L-proline, (2S,4R)-4-Hydroxypyrrolidine-2-carboxylic acid, Oxaceprol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5810 CH$LINK: INCHIKEY PMMYEEVYMWASQN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036202.txt index a9cff18fdcd..c6a152a29ba 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036202 -RECORD_TITLE: Hyp, Hypro, trans-4-Hydroxy-L-proline, (2S,4R)-4-Hydroxypyrrolidine-2-carboxylic acid, Oxaceprol; LC-ESI-QQ; MS2 +RECORD_TITLE: Hyp, Hypro, trans-4-Hydroxy-L-proline, (2S,4R)-4-Hydroxypyrrolidine-2-carboxylic acid, Oxaceprol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5810 CH$LINK: INCHIKEY PMMYEEVYMWASQN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036203.txt index 87735cc3af0..2e93f65fce1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036203 -RECORD_TITLE: Hyp, Hypro, trans-4-Hydroxy-L-proline, (2S,4R)-4-Hydroxypyrrolidine-2-carboxylic acid, Oxaceprol; LC-ESI-QQ; MS2 +RECORD_TITLE: Hyp, Hypro, trans-4-Hydroxy-L-proline, (2S,4R)-4-Hydroxypyrrolidine-2-carboxylic acid, Oxaceprol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5810 CH$LINK: INCHIKEY PMMYEEVYMWASQN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036207.txt index b7f0e26669f..79dcdb508a9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036207 -RECORD_TITLE: Hyp, Hypro, trans-4-Hydroxy-L-proline, (2S,4R)-4-Hydroxypyrrolidine-2-carboxylic acid, Oxaceprol; LC-ESI-QQ; MS2 +RECORD_TITLE: Hyp, Hypro, trans-4-Hydroxy-L-proline, (2S,4R)-4-Hydroxypyrrolidine-2-carboxylic acid, Oxaceprol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5810 CH$LINK: INCHIKEY PMMYEEVYMWASQN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036301.txt index 2f07ae7794e..4f3abc26b61 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036301 -RECORD_TITLE: trans-ribosylzeatin, N6-(trans-4-Hydroxy-3-methyl-2-buten-1-yl)adenosine, trans-Zeatin-riboside, 9-(beta-D-Ribofuranosyl)-trans-zeatin; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-ribosylzeatin, N6-(trans-4-Hydroxy-3-methyl-2-buten-1-yl)adenosine, trans-Zeatin-riboside, 9-(beta-D-Ribofuranosyl)-trans-zeatin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:6440982 CH$LINK: INCHIKEY GOSWTRUMMSCNCW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036302.txt index f95af1a9b04..d04458a8cf9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036302 -RECORD_TITLE: trans-ribosylzeatin, N6-(trans-4-Hydroxy-3-methyl-2-buten-1-yl)adenosine, trans-Zeatin-riboside, 9-(beta-D-Ribofuranosyl)-trans-zeatin; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-ribosylzeatin, N6-(trans-4-Hydroxy-3-methyl-2-buten-1-yl)adenosine, trans-Zeatin-riboside, 9-(beta-D-Ribofuranosyl)-trans-zeatin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:6440982 CH$LINK: INCHIKEY GOSWTRUMMSCNCW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036303.txt index 6d3ae29c26c..2d3fbad9e21 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036303 -RECORD_TITLE: trans-ribosylzeatin, N6-(trans-4-Hydroxy-3-methyl-2-buten-1-yl)adenosine, trans-Zeatin-riboside, 9-(beta-D-Ribofuranosyl)-trans-zeatin; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-ribosylzeatin, N6-(trans-4-Hydroxy-3-methyl-2-buten-1-yl)adenosine, trans-Zeatin-riboside, 9-(beta-D-Ribofuranosyl)-trans-zeatin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:6440982 CH$LINK: INCHIKEY GOSWTRUMMSCNCW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036304.txt index f1a7b8b8db4..dbefdf3457c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036304 -RECORD_TITLE: trans-ribosylzeatin, N6-(trans-4-Hydroxy-3-methyl-2-buten-1-yl)adenosine, trans-Zeatin-riboside, 9-(beta-D-Ribofuranosyl)-trans-zeatin; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-ribosylzeatin, N6-(trans-4-Hydroxy-3-methyl-2-buten-1-yl)adenosine, trans-Zeatin-riboside, 9-(beta-D-Ribofuranosyl)-trans-zeatin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:6440982 CH$LINK: INCHIKEY GOSWTRUMMSCNCW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036305.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036305.txt index a27497ef1be..806cb10149f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036305.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036305 -RECORD_TITLE: trans-ribosylzeatin, N6-(trans-4-Hydroxy-3-methyl-2-buten-1-yl)adenosine, trans-Zeatin-riboside, 9-(beta-D-Ribofuranosyl)-trans-zeatin; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-ribosylzeatin, N6-(trans-4-Hydroxy-3-methyl-2-buten-1-yl)adenosine, trans-Zeatin-riboside, 9-(beta-D-Ribofuranosyl)-trans-zeatin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:6440982 CH$LINK: INCHIKEY GOSWTRUMMSCNCW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036306.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036306.txt index 03bb23ca175..4c2c4d33a70 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036306.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036306.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036306 -RECORD_TITLE: trans-ribosylzeatin, N6-(trans-4-Hydroxy-3-methyl-2-buten-1-yl)adenosine, trans-Zeatin-riboside, 9-(beta-D-Ribofuranosyl)-trans-zeatin; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-ribosylzeatin, N6-(trans-4-Hydroxy-3-methyl-2-buten-1-yl)adenosine, trans-Zeatin-riboside, 9-(beta-D-Ribofuranosyl)-trans-zeatin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:6440982 CH$LINK: INCHIKEY GOSWTRUMMSCNCW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036401.txt index 306f7d70391..702ab92c121 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036401 -RECORD_TITLE: 2-(4-Hydroxyphenyl)ethylamine, Systogene, 4-(2-Aminoethyl)phenol, Tyramine, 4-Hydroxyphenethylamine, Uteramine, 4-Hydroxy-beta-phenylethylamine, Tyrosamine; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-(4-Hydroxyphenyl)ethylamine, Systogene, 4-(2-Aminoethyl)phenol, Tyramine, 4-Hydroxyphenethylamine, Uteramine, 4-Hydroxy-beta-phenylethylamine, Tyrosamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5610 CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036402.txt index 115968ea32c..706b9f849c7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036402 -RECORD_TITLE: 2-(4-Hydroxyphenyl)ethylamine, Systogene, 4-(2-Aminoethyl)phenol, Tyramine, 4-Hydroxyphenethylamine, Uteramine, 4-Hydroxy-beta-phenylethylamine, Tyrosamine; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-(4-Hydroxyphenyl)ethylamine, Systogene, 4-(2-Aminoethyl)phenol, Tyramine, 4-Hydroxyphenethylamine, Uteramine, 4-Hydroxy-beta-phenylethylamine, Tyrosamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5610 CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036403.txt index c069d2fefd0..0a41067bb43 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036403 -RECORD_TITLE: 2-(4-Hydroxyphenyl)ethylamine, Systogene, 4-(2-Aminoethyl)phenol, Tyramine, 4-Hydroxyphenethylamine, Uteramine, 4-Hydroxy-beta-phenylethylamine, Tyrosamine; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-(4-Hydroxyphenyl)ethylamine, Systogene, 4-(2-Aminoethyl)phenol, Tyramine, 4-Hydroxyphenethylamine, Uteramine, 4-Hydroxy-beta-phenylethylamine, Tyrosamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5610 CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036404.txt index 55316bf5b81..1d216a4d47a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036404 -RECORD_TITLE: 2-(4-Hydroxyphenyl)ethylamine, Systogene, 4-(2-Aminoethyl)phenol, Tyramine, 4-Hydroxyphenethylamine, Uteramine, 4-Hydroxy-beta-phenylethylamine, Tyrosamine; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-(4-Hydroxyphenyl)ethylamine, Systogene, 4-(2-Aminoethyl)phenol, Tyramine, 4-Hydroxyphenethylamine, Uteramine, 4-Hydroxy-beta-phenylethylamine, Tyrosamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5610 CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036405.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036405.txt index 0abd3f25ee3..f22efb28b25 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036405.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036405 -RECORD_TITLE: 2-(4-Hydroxyphenyl)ethylamine, Systogene, 4-(2-Aminoethyl)phenol, Tyramine, 4-Hydroxyphenethylamine, Uteramine, 4-Hydroxy-beta-phenylethylamine, Tyrosamine; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-(4-Hydroxyphenyl)ethylamine, Systogene, 4-(2-Aminoethyl)phenol, Tyramine, 4-Hydroxyphenethylamine, Uteramine, 4-Hydroxy-beta-phenylethylamine, Tyrosamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5610 CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036406.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036406.txt index 953d4ca141c..c036ac5bc6e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036406.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036406.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036406 -RECORD_TITLE: 2-(4-Hydroxyphenyl)ethylamine, Systogene, 4-(2-Aminoethyl)phenol, Tyramine, 4-Hydroxyphenethylamine, Uteramine, 4-Hydroxy-beta-phenylethylamine, Tyrosamine; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-(4-Hydroxyphenyl)ethylamine, Systogene, 4-(2-Aminoethyl)phenol, Tyramine, 4-Hydroxyphenethylamine, Uteramine, 4-Hydroxy-beta-phenylethylamine, Tyrosamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5610 CH$LINK: INCHIKEY DZGWFCGJZKJUFP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000186; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenethylamines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036501.txt index d8cc35009d6..aadb51b70c3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036501 -RECORD_TITLE: araU, Uridine, Uracilriboside, 1-beta-D-Ribofuranosyluracil, Uracil-1-beta-D-ribofuranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: araU, Uridine, Uracilriboside, 1-beta-D-Ribofuranosyluracil, Uracil-1-beta-D-ribofuranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6029 CH$LINK: INCHIKEY DRTQHJPVMGBUCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000480; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036502.txt index f47116b2162..d80030a30e4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036502 -RECORD_TITLE: araU, Uridine, Uracilriboside, 1-beta-D-Ribofuranosyluracil, Uracil-1-beta-D-ribofuranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: araU, Uridine, Uracilriboside, 1-beta-D-Ribofuranosyluracil, Uracil-1-beta-D-ribofuranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6029 CH$LINK: INCHIKEY DRTQHJPVMGBUCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000480; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036503.txt index 4b3c6b4830f..63610cbb396 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036503 -RECORD_TITLE: araU, Uridine, Uracilriboside, 1-beta-D-Ribofuranosyluracil, Uracil-1-beta-D-ribofuranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: araU, Uridine, Uracilriboside, 1-beta-D-Ribofuranosyluracil, Uracil-1-beta-D-ribofuranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6029 CH$LINK: INCHIKEY DRTQHJPVMGBUCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000480; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036504.txt index 32a6747b79f..bb78b3458e7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036504 -RECORD_TITLE: araU, Uridine, Uracilriboside, 1-beta-D-Ribofuranosyluracil, Uracil-1-beta-D-ribofuranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: araU, Uridine, Uracilriboside, 1-beta-D-Ribofuranosyluracil, Uracil-1-beta-D-ribofuranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6029 CH$LINK: INCHIKEY DRTQHJPVMGBUCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000480; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036602.txt index cf8975537a3..a0d74059b4b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036602 -RECORD_TITLE: Uridine-5'-diphosphate sodium salt, UDP; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-5'-diphosphate sodium salt, UDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6031 CH$LINK: INCHIKEY XCCTYIAWTASOJW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036603.txt index 7a876c0352f..c1514d1a04d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036603 -RECORD_TITLE: Uridine-5'-diphosphate sodium salt, UDP; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-5'-diphosphate sodium salt, UDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6031 CH$LINK: INCHIKEY XCCTYIAWTASOJW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036605.txt index f4df49b6668..f6aeef66177 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036605 -RECORD_TITLE: Uridine-5'-diphosphate sodium salt, UDP; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-5'-diphosphate sodium salt, UDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6031 CH$LINK: INCHIKEY XCCTYIAWTASOJW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036606.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036606.txt index 6f25b41ddd4..09a2d8ae130 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036606.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036606.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036606 -RECORD_TITLE: Uridine-5'-diphosphate sodium salt, UDP; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-5'-diphosphate sodium salt, UDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6031 CH$LINK: INCHIKEY XCCTYIAWTASOJW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036607.txt index c618ab92097..f67d2cc3b13 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036607 -RECORD_TITLE: Uridine-5'-diphosphate sodium salt, UDP; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-5'-diphosphate sodium salt, UDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6031 CH$LINK: INCHIKEY XCCTYIAWTASOJW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036608.txt index 88ed977172f..c0dd605da21 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036608 -RECORD_TITLE: Uridine-5'-diphosphate sodium salt, UDP; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-5'-diphosphate sodium salt, UDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6031 CH$LINK: INCHIKEY XCCTYIAWTASOJW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036609.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036609.txt index 1b3b63663c7..6354df190e8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036609.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036609.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036609 -RECORD_TITLE: Uridine-5'-diphosphate sodium salt, UDP; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-5'-diphosphate sodium salt, UDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6031 CH$LINK: INCHIKEY XCCTYIAWTASOJW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036610.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036610.txt index eede7d26e69..29ac9581ecd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036610.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036610.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036610 -RECORD_TITLE: Uridine-5'-diphosphate sodium salt, UDP; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-5'-diphosphate sodium salt, UDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6031 CH$LINK: INCHIKEY XCCTYIAWTASOJW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036612.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036612.txt index 8d6fd563480..6dcf86791f3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036612.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036612.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036612 -RECORD_TITLE: Uridine-5'-diphosphate sodium salt, UDP; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-5'-diphosphate sodium salt, UDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6031 CH$LINK: INCHIKEY XCCTYIAWTASOJW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036701.txt index 703399fdaa7..c0830542874 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036701 -RECORD_TITLE: UDP-Galactose disodium salt, Uridine-5'-diphosphogalactose disodium salt , Uridine-5'-diphosphogalactose, UDP-D-galactopyranose, UDP-Gal; LC-ESI-QQ; MS2 +RECORD_TITLE: UDP-Galactose disodium salt, Uridine-5'-diphosphogalactose disodium salt , Uridine-5'-diphosphogalactose, UDP-D-galactopyranose, UDP-Gal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:23724458 CH$LINK: INCHIKEY HSCJRCZFDFQWRP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036704.txt index d812b33cf62..a22d342f80a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036704 -RECORD_TITLE: UDP-Galactose disodium salt, Uridine-5'-diphosphogalactose disodium salt , Uridine-5'-diphosphogalactose, UDP-D-galactopyranose, UDP-Gal; LC-ESI-QQ; MS2 +RECORD_TITLE: UDP-Galactose disodium salt, Uridine-5'-diphosphogalactose disodium salt , Uridine-5'-diphosphogalactose, UDP-D-galactopyranose, UDP-Gal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:23724458 CH$LINK: INCHIKEY HSCJRCZFDFQWRP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036705.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036705.txt index 4222a54ff9a..747ae9ac41b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036705.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036705 -RECORD_TITLE: UDP-Galactose disodium salt, Uridine-5'-diphosphogalactose disodium salt , Uridine-5'-diphosphogalactose, UDP-D-galactopyranose, UDP-Gal; LC-ESI-QQ; MS2 +RECORD_TITLE: UDP-Galactose disodium salt, Uridine-5'-diphosphogalactose disodium salt , Uridine-5'-diphosphogalactose, UDP-D-galactopyranose, UDP-Gal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:23724458 CH$LINK: INCHIKEY HSCJRCZFDFQWRP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036707.txt index 8fd86cda981..a1119bdd0ae 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036707 -RECORD_TITLE: UDP-Galactose disodium salt, Uridine-5'-diphosphogalactose disodium salt , Uridine-5'-diphosphogalactose, UDP-D-galactopyranose, UDP-Gal; LC-ESI-QQ; MS2 +RECORD_TITLE: UDP-Galactose disodium salt, Uridine-5'-diphosphogalactose disodium salt , Uridine-5'-diphosphogalactose, UDP-D-galactopyranose, UDP-Gal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:23724458 CH$LINK: INCHIKEY HSCJRCZFDFQWRP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036708.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036708.txt index 7eca0c49b40..9c8627952b0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036708.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036708 -RECORD_TITLE: UDP-Galactose disodium salt, Uridine-5'-diphosphogalactose disodium salt , Uridine-5'-diphosphogalactose, UDP-D-galactopyranose, UDP-Gal; LC-ESI-QQ; MS2 +RECORD_TITLE: UDP-Galactose disodium salt, Uridine-5'-diphosphogalactose disodium salt , Uridine-5'-diphosphogalactose, UDP-D-galactopyranose, UDP-Gal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:23724458 CH$LINK: INCHIKEY HSCJRCZFDFQWRP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036709.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036709.txt index d157057da07..2a88617806b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036709.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036709.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036709 -RECORD_TITLE: UDP-Galactose disodium salt, Uridine-5'-diphosphogalactose disodium salt , Uridine-5'-diphosphogalactose, UDP-D-galactopyranose, UDP-Gal; LC-ESI-QQ; MS2 +RECORD_TITLE: UDP-Galactose disodium salt, Uridine-5'-diphosphogalactose disodium salt , Uridine-5'-diphosphogalactose, UDP-D-galactopyranose, UDP-Gal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:23724458 CH$LINK: INCHIKEY HSCJRCZFDFQWRP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036710.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036710.txt index c08c22a1df9..01d9293b2d4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036710.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036710.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036710 -RECORD_TITLE: UDP-Galactose disodium salt, Uridine-5'-diphosphogalactose disodium salt , Uridine-5'-diphosphogalactose, UDP-D-galactopyranose, UDP-Gal; LC-ESI-QQ; MS2 +RECORD_TITLE: UDP-Galactose disodium salt, Uridine-5'-diphosphogalactose disodium salt , Uridine-5'-diphosphogalactose, UDP-D-galactopyranose, UDP-Gal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:23724458 CH$LINK: INCHIKEY HSCJRCZFDFQWRP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036711.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036711.txt index 459f6f3fa00..d754100f5a3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036711.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036711.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036711 -RECORD_TITLE: UDP-Galactose disodium salt, Uridine-5'-diphosphogalactose disodium salt , Uridine-5'-diphosphogalactose, UDP-D-galactopyranose, UDP-Gal; LC-ESI-QQ; MS2 +RECORD_TITLE: UDP-Galactose disodium salt, Uridine-5'-diphosphogalactose disodium salt , Uridine-5'-diphosphogalactose, UDP-D-galactopyranose, UDP-Gal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:23724458 CH$LINK: INCHIKEY HSCJRCZFDFQWRP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036807.txt index e04405cf8e2..a60594d59ba 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036807 -RECORD_TITLE: Uridine-5'-diphospho-glucose, UDP-glucose, UDPG, UDP-Glc, Uridine-5'-diphospho-glucose disodium salt, UDP-glucopyranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-5'-diphospho-glucose, UDP-glucose, UDPG, UDP-Glc, Uridine-5'-diphospho-glucose disodium salt, UDP-glucopyranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8629 CH$LINK: INCHIKEY HSCJRCZFDFQWRP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036808.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036808.txt index ef89f8a2224..5c0c8a5f0e5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036808.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036808 -RECORD_TITLE: Uridine-5'-diphospho-glucose, UDP-glucose, UDPG, UDP-Glc, Uridine-5'-diphospho-glucose disodium salt, UDP-glucopyranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-5'-diphospho-glucose, UDP-glucose, UDPG, UDP-Glc, Uridine-5'-diphospho-glucose disodium salt, UDP-glucopyranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8629 CH$LINK: INCHIKEY HSCJRCZFDFQWRP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036809.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036809.txt index 9d2c7288909..85fa6299448 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036809.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036809.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036809 -RECORD_TITLE: Uridine-5'-diphospho-glucose, UDP-glucose, UDPG, UDP-Glc, Uridine-5'-diphospho-glucose disodium salt, UDP-glucopyranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-5'-diphospho-glucose, UDP-glucose, UDPG, UDP-Glc, Uridine-5'-diphospho-glucose disodium salt, UDP-glucopyranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8629 CH$LINK: INCHIKEY HSCJRCZFDFQWRP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036810.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036810.txt index cce119d0622..2148508c0c7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036810.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036810.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036810 -RECORD_TITLE: Uridine-5'-diphospho-glucose, UDP-glucose, UDPG, UDP-Glc, Uridine-5'-diphospho-glucose disodium salt, UDP-glucopyranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-5'-diphospho-glucose, UDP-glucose, UDPG, UDP-Glc, Uridine-5'-diphospho-glucose disodium salt, UDP-glucopyranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8629 CH$LINK: INCHIKEY HSCJRCZFDFQWRP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036901.txt index 18b1ec27d77..fb79f03f23e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036901 -RECORD_TITLE: Uridine diphospho-2-acetamido-2-deoxy-D-galactose , UDP-GalNAc, UDP-N-acetylgalactosamine, Uridine-5'-diphospho-N-acetylgalactosamine disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine diphospho-2-acetamido-2-deoxy-D-galactose , UDP-GalNAc, UDP-N-acetylgalactosamine, Uridine-5'-diphospho-N-acetylgalactosamine disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:23724461 CH$LINK: INCHIKEY LFTYTUAZOPRMMI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036902.txt index 7f76771a8e6..66f24785fb0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036902 -RECORD_TITLE: Uridine diphospho-2-acetamido-2-deoxy-D-galactose , UDP-GalNAc, UDP-N-acetylgalactosamine, Uridine-5'-diphospho-N-acetylgalactosamine disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine diphospho-2-acetamido-2-deoxy-D-galactose , UDP-GalNAc, UDP-N-acetylgalactosamine, Uridine-5'-diphospho-N-acetylgalactosamine disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:23724461 CH$LINK: INCHIKEY LFTYTUAZOPRMMI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036903.txt index 5f3321be60c..f010bf1dcfc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036903 -RECORD_TITLE: Uridine diphospho-2-acetamido-2-deoxy-D-galactose , UDP-GalNAc, UDP-N-acetylgalactosamine, Uridine-5'-diphospho-N-acetylgalactosamine disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine diphospho-2-acetamido-2-deoxy-D-galactose , UDP-GalNAc, UDP-N-acetylgalactosamine, Uridine-5'-diphospho-N-acetylgalactosamine disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:23724461 CH$LINK: INCHIKEY LFTYTUAZOPRMMI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036904.txt index 375381bfc57..b9b0878f5a3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036904 -RECORD_TITLE: Uridine diphospho-2-acetamido-2-deoxy-D-galactose , UDP-GalNAc, UDP-N-acetylgalactosamine, Uridine-5'-diphospho-N-acetylgalactosamine disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine diphospho-2-acetamido-2-deoxy-D-galactose , UDP-GalNAc, UDP-N-acetylgalactosamine, Uridine-5'-diphospho-N-acetylgalactosamine disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:23724461 CH$LINK: INCHIKEY LFTYTUAZOPRMMI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036907.txt index 138f06a9680..72db80a3bea 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036907 -RECORD_TITLE: Uridine diphospho-2-acetamido-2-deoxy-D-galactose , UDP-GalNAc, UDP-N-acetylgalactosamine, Uridine-5'-diphospho-N-acetylgalactosamine disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine diphospho-2-acetamido-2-deoxy-D-galactose , UDP-GalNAc, UDP-N-acetylgalactosamine, Uridine-5'-diphospho-N-acetylgalactosamine disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:23724461 CH$LINK: INCHIKEY LFTYTUAZOPRMMI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036908.txt index 375a7ee29fc..7092181f5a2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036908 -RECORD_TITLE: Uridine diphospho-2-acetamido-2-deoxy-D-galactose , UDP-GalNAc, UDP-N-acetylgalactosamine, Uridine-5'-diphospho-N-acetylgalactosamine disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine diphospho-2-acetamido-2-deoxy-D-galactose , UDP-GalNAc, UDP-N-acetylgalactosamine, Uridine-5'-diphospho-N-acetylgalactosamine disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:23724461 CH$LINK: INCHIKEY LFTYTUAZOPRMMI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036909.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036909.txt index 7de9efdb47a..37701435f22 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036909.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036909 -RECORD_TITLE: Uridine diphospho-2-acetamido-2-deoxy-D-galactose , UDP-GalNAc, UDP-N-acetylgalactosamine, Uridine-5'-diphospho-N-acetylgalactosamine disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine diphospho-2-acetamido-2-deoxy-D-galactose , UDP-GalNAc, UDP-N-acetylgalactosamine, Uridine-5'-diphospho-N-acetylgalactosamine disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:23724461 CH$LINK: INCHIKEY LFTYTUAZOPRMMI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036910.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036910.txt index a86f1f5540e..c80aa13878f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036910.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS036910.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS036910 -RECORD_TITLE: Uridine diphospho-2-acetamido-2-deoxy-D-galactose , UDP-GalNAc, UDP-N-acetylgalactosamine, Uridine-5'-diphospho-N-acetylgalactosamine disodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine diphospho-2-acetamido-2-deoxy-D-galactose , UDP-GalNAc, UDP-N-acetylgalactosamine, Uridine-5'-diphospho-N-acetylgalactosamine disodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:23724461 CH$LINK: INCHIKEY LFTYTUAZOPRMMI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037001.txt index 3c077c8b34e..be096fc1c1f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037001 -RECORD_TITLE: Uridine-5'-diphospho-N-acetylglucosamine sodium salt , UDP-GlcNAc, UDP-N-acetylglucosamine, UDPAG; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-5'-diphospho-N-acetylglucosamine sodium salt , UDP-GlcNAc, UDP-N-acetylglucosamine, UDPAG; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:445675 CH$LINK: INCHIKEY LFTYTUAZOPRMMI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037002.txt index b3e339a7a52..5e73727b5aa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037002 -RECORD_TITLE: Uridine-5'-diphospho-N-acetylglucosamine sodium salt , UDP-GlcNAc, UDP-N-acetylglucosamine, UDPAG; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-5'-diphospho-N-acetylglucosamine sodium salt , UDP-GlcNAc, UDP-N-acetylglucosamine, UDPAG; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:445675 CH$LINK: INCHIKEY LFTYTUAZOPRMMI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037003.txt index 46475c871b8..2fce410be14 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037003 -RECORD_TITLE: Uridine-5'-diphospho-N-acetylglucosamine sodium salt , UDP-GlcNAc, UDP-N-acetylglucosamine, UDPAG; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-5'-diphospho-N-acetylglucosamine sodium salt , UDP-GlcNAc, UDP-N-acetylglucosamine, UDPAG; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:445675 CH$LINK: INCHIKEY LFTYTUAZOPRMMI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037004.txt index c5a7ad23e94..2b63663b34d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037004 -RECORD_TITLE: Uridine-5'-diphospho-N-acetylglucosamine sodium salt , UDP-GlcNAc, UDP-N-acetylglucosamine, UDPAG; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-5'-diphospho-N-acetylglucosamine sodium salt , UDP-GlcNAc, UDP-N-acetylglucosamine, UDPAG; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:445675 CH$LINK: INCHIKEY LFTYTUAZOPRMMI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037006.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037006.txt index 264e7d7bc7b..d8568608e67 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037006.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037006.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037006 -RECORD_TITLE: Uridine-5'-diphospho-N-acetylglucosamine sodium salt , UDP-GlcNAc, UDP-N-acetylglucosamine, UDPAG; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-5'-diphospho-N-acetylglucosamine sodium salt , UDP-GlcNAc, UDP-N-acetylglucosamine, UDPAG; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:445675 CH$LINK: INCHIKEY LFTYTUAZOPRMMI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037007.txt index 035a198df0c..0291295c197 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037007 -RECORD_TITLE: Uridine-5'-diphospho-N-acetylglucosamine sodium salt , UDP-GlcNAc, UDP-N-acetylglucosamine, UDPAG; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-5'-diphospho-N-acetylglucosamine sodium salt , UDP-GlcNAc, UDP-N-acetylglucosamine, UDPAG; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:445675 CH$LINK: INCHIKEY LFTYTUAZOPRMMI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037008.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037008.txt index 8785257de19..26131db3c3c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037008.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037008 -RECORD_TITLE: Uridine-5'-diphospho-N-acetylglucosamine sodium salt , UDP-GlcNAc, UDP-N-acetylglucosamine, UDPAG; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-5'-diphospho-N-acetylglucosamine sodium salt , UDP-GlcNAc, UDP-N-acetylglucosamine, UDPAG; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:445675 CH$LINK: INCHIKEY LFTYTUAZOPRMMI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037009.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037009.txt index bb2409fde28..1ca10f4b327 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037009.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037009 -RECORD_TITLE: Uridine-5'-diphospho-N-acetylglucosamine sodium salt , UDP-GlcNAc, UDP-N-acetylglucosamine, UDPAG; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-5'-diphospho-N-acetylglucosamine sodium salt , UDP-GlcNAc, UDP-N-acetylglucosamine, UDPAG; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:445675 CH$LINK: INCHIKEY LFTYTUAZOPRMMI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037010.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037010.txt index d92e4c6fd1d..0b4088e7883 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037010.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037010.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037010 -RECORD_TITLE: Uridine-5'-diphospho-N-acetylglucosamine sodium salt , UDP-GlcNAc, UDP-N-acetylglucosamine, UDPAG; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-5'-diphospho-N-acetylglucosamine sodium salt , UDP-GlcNAc, UDP-N-acetylglucosamine, UDPAG; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:445675 CH$LINK: INCHIKEY LFTYTUAZOPRMMI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037102.txt index eda742e0269..5385c485458 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037102 -RECORD_TITLE: Uridine-diphosphate-glucuronic acid, Uridine-5'-diphosphoglucuronic acid trisodium salt , UDP-GlcA, UDP-Glucuronate, UDPGA, UDP-Glucopyranosuronic Acid ; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-diphosphate-glucuronic acid, Uridine-5'-diphosphoglucuronic acid trisodium salt , UDP-GlcA, UDP-Glucuronate, UDPGA, UDP-Glucopyranosuronic Acid ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:17473 CH$LINK: INCHIKEY HDYANYHVCAPMJV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037104.txt index fd31036d2da..6e91298b800 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037104 -RECORD_TITLE: Uridine-diphosphate-glucuronic acid, Uridine-5'-diphosphoglucuronic acid trisodium salt , UDP-GlcA, UDP-Glucuronate, UDPGA, UDP-Glucopyranosuronic Acid ; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-diphosphate-glucuronic acid, Uridine-5'-diphosphoglucuronic acid trisodium salt , UDP-GlcA, UDP-Glucuronate, UDPGA, UDP-Glucopyranosuronic Acid ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:17473 CH$LINK: INCHIKEY HDYANYHVCAPMJV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037106.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037106.txt index 5584639ddc1..bb2daae4be4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037106.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037106 -RECORD_TITLE: Uridine-diphosphate-glucuronic acid, Uridine-5'-diphosphoglucuronic acid trisodium salt , UDP-GlcA, UDP-Glucuronate, UDPGA, UDP-Glucopyranosuronic Acid ; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-diphosphate-glucuronic acid, Uridine-5'-diphosphoglucuronic acid trisodium salt , UDP-GlcA, UDP-Glucuronate, UDPGA, UDP-Glucopyranosuronic Acid ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:17473 CH$LINK: INCHIKEY HDYANYHVCAPMJV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037107.txt index b0c5ea98c89..06a8d83363b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037107 -RECORD_TITLE: Uridine-diphosphate-glucuronic acid, Uridine-5'-diphosphoglucuronic acid trisodium salt , UDP-GlcA, UDP-Glucuronate, UDPGA, UDP-Glucopyranosuronic Acid ; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-diphosphate-glucuronic acid, Uridine-5'-diphosphoglucuronic acid trisodium salt , UDP-GlcA, UDP-Glucuronate, UDPGA, UDP-Glucopyranosuronic Acid ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:17473 CH$LINK: INCHIKEY HDYANYHVCAPMJV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037108.txt index 7dacfc24eda..5a01eade18a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037108 -RECORD_TITLE: Uridine-diphosphate-glucuronic acid, Uridine-5'-diphosphoglucuronic acid trisodium salt , UDP-GlcA, UDP-Glucuronate, UDPGA, UDP-Glucopyranosuronic Acid ; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-diphosphate-glucuronic acid, Uridine-5'-diphosphoglucuronic acid trisodium salt , UDP-GlcA, UDP-Glucuronate, UDPGA, UDP-Glucopyranosuronic Acid ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:17473 CH$LINK: INCHIKEY HDYANYHVCAPMJV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037109.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037109.txt index 7c7f4a2c913..aac43ab8e39 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037109.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037109 -RECORD_TITLE: Uridine-diphosphate-glucuronic acid, Uridine-5'-diphosphoglucuronic acid trisodium salt , UDP-GlcA, UDP-Glucuronate, UDPGA, UDP-Glucopyranosuronic Acid ; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridine-diphosphate-glucuronic acid, Uridine-5'-diphosphoglucuronic acid trisodium salt , UDP-GlcA, UDP-Glucuronate, UDPGA, UDP-Glucopyranosuronic Acid ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:17473 CH$LINK: INCHIKEY HDYANYHVCAPMJV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037201.txt index fc99fa394de..0cc59258860 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037201 -RECORD_TITLE: Uridylic acid, uridylate, UMP, Uridine-5'-monophosphate, U 5'-P; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridylic acid, uridylate, UMP, Uridine-5'-monophosphate, U 5'-P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6030 CH$LINK: INCHIKEY DJJCXFVJDGTHFX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037202.txt index f6f2b6a3d0f..fb8c88eb188 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037202 -RECORD_TITLE: Uridylic acid, uridylate, UMP, Uridine-5'-monophosphate, U 5'-P; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridylic acid, uridylate, UMP, Uridine-5'-monophosphate, U 5'-P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6030 CH$LINK: INCHIKEY DJJCXFVJDGTHFX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037203.txt index 244e563cb6b..0c65ec0d487 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037203 -RECORD_TITLE: Uridylic acid, uridylate, UMP, Uridine-5'-monophosphate, U 5'-P; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridylic acid, uridylate, UMP, Uridine-5'-monophosphate, U 5'-P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6030 CH$LINK: INCHIKEY DJJCXFVJDGTHFX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037204.txt index 35ef28ce158..8a69e5b93a8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037204 -RECORD_TITLE: Uridylic acid, uridylate, UMP, Uridine-5'-monophosphate, U 5'-P; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridylic acid, uridylate, UMP, Uridine-5'-monophosphate, U 5'-P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6030 CH$LINK: INCHIKEY DJJCXFVJDGTHFX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037205.txt index bc3599c6f00..d381d01190b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037205 -RECORD_TITLE: Uridylic acid, uridylate, UMP, Uridine-5'-monophosphate, U 5'-P; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridylic acid, uridylate, UMP, Uridine-5'-monophosphate, U 5'-P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6030 CH$LINK: INCHIKEY DJJCXFVJDGTHFX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037206.txt index 42a22b7cd3b..5220aa60c3c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037206 -RECORD_TITLE: Uridylic acid, uridylate, UMP, Uridine-5'-monophosphate, U 5'-P; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridylic acid, uridylate, UMP, Uridine-5'-monophosphate, U 5'-P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6030 CH$LINK: INCHIKEY DJJCXFVJDGTHFX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037207.txt index 69baad1d02d..0be1300a1f8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037207 -RECORD_TITLE: Uridylic acid, uridylate, UMP, Uridine-5'-monophosphate, U 5'-P; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridylic acid, uridylate, UMP, Uridine-5'-monophosphate, U 5'-P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6030 CH$LINK: INCHIKEY DJJCXFVJDGTHFX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037208.txt index d6decf8a6e7..38aedde32cd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037208 -RECORD_TITLE: Uridylic acid, uridylate, UMP, Uridine-5'-monophosphate, U 5'-P; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridylic acid, uridylate, UMP, Uridine-5'-monophosphate, U 5'-P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6030 CH$LINK: INCHIKEY DJJCXFVJDGTHFX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037210.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037210.txt index a2ae2db7318..66b795a0ffe 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037210.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037210.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037210 -RECORD_TITLE: Uridylic acid, uridylate, UMP, Uridine-5'-monophosphate, U 5'-P; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridylic acid, uridylate, UMP, Uridine-5'-monophosphate, U 5'-P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6030 CH$LINK: INCHIKEY DJJCXFVJDGTHFX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037211.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037211.txt index d0beb343850..55d8fb94afd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037211.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037211.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037211 -RECORD_TITLE: Uridylic acid, uridylate, UMP, Uridine-5'-monophosphate, U 5'-P; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridylic acid, uridylate, UMP, Uridine-5'-monophosphate, U 5'-P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6030 CH$LINK: INCHIKEY DJJCXFVJDGTHFX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037212.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037212.txt index 0619f2d7a22..c5b9cda3930 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037212.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037212.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037212 -RECORD_TITLE: Uridylic acid, uridylate, UMP, Uridine-5'-monophosphate, U 5'-P; LC-ESI-QQ; MS2 +RECORD_TITLE: Uridylic acid, uridylate, UMP, Uridine-5'-monophosphate, U 5'-P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6030 CH$LINK: INCHIKEY DJJCXFVJDGTHFX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037401.txt index ae3db5055b8..171a85d0f64 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037401 -RECORD_TITLE: Xanthosine-5'-monophosphate disodium salt , Xanthylic acid, (9-D-Ribosylxanthine)-5'-phosphate, XMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Xanthosine-5'-monophosphate disodium salt , Xanthylic acid, (9-D-Ribosylxanthine)-5'-phosphate, XMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:73323 CH$LINK: INCHIKEY DCTLYFZHFGENCW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037402.txt index 8edf1cd5177..2a957f825ae 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037402 -RECORD_TITLE: Xanthosine-5'-monophosphate disodium salt , Xanthylic acid, (9-D-Ribosylxanthine)-5'-phosphate, XMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Xanthosine-5'-monophosphate disodium salt , Xanthylic acid, (9-D-Ribosylxanthine)-5'-phosphate, XMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:73323 CH$LINK: INCHIKEY DCTLYFZHFGENCW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037403.txt index 43fbcf7d7b7..45311c0ed1d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037403 -RECORD_TITLE: Xanthosine-5'-monophosphate disodium salt , Xanthylic acid, (9-D-Ribosylxanthine)-5'-phosphate, XMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Xanthosine-5'-monophosphate disodium salt , Xanthylic acid, (9-D-Ribosylxanthine)-5'-phosphate, XMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:73323 CH$LINK: INCHIKEY DCTLYFZHFGENCW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037404.txt index 6bfaa2f2985..7f82574f194 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037404 -RECORD_TITLE: Xanthosine-5'-monophosphate disodium salt , Xanthylic acid, (9-D-Ribosylxanthine)-5'-phosphate, XMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Xanthosine-5'-monophosphate disodium salt , Xanthylic acid, (9-D-Ribosylxanthine)-5'-phosphate, XMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:73323 CH$LINK: INCHIKEY DCTLYFZHFGENCW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037405.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037405.txt index a1b5a81f35b..84775e7d072 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037405.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037405 -RECORD_TITLE: Xanthosine-5'-monophosphate disodium salt , Xanthylic acid, (9-D-Ribosylxanthine)-5'-phosphate, XMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Xanthosine-5'-monophosphate disodium salt , Xanthylic acid, (9-D-Ribosylxanthine)-5'-phosphate, XMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:73323 CH$LINK: INCHIKEY DCTLYFZHFGENCW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037406.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037406.txt index 2d290cd5f55..8c9366ec8a4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037406.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037406.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037406 -RECORD_TITLE: Xanthosine-5'-monophosphate disodium salt , Xanthylic acid, (9-D-Ribosylxanthine)-5'-phosphate, XMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Xanthosine-5'-monophosphate disodium salt , Xanthylic acid, (9-D-Ribosylxanthine)-5'-phosphate, XMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:73323 CH$LINK: INCHIKEY DCTLYFZHFGENCW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037407.txt index 1cbe3181020..ee295eea0e6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037407 -RECORD_TITLE: Xanthosine-5'-monophosphate disodium salt , Xanthylic acid, (9-D-Ribosylxanthine)-5'-phosphate, XMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Xanthosine-5'-monophosphate disodium salt , Xanthylic acid, (9-D-Ribosylxanthine)-5'-phosphate, XMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:73323 CH$LINK: INCHIKEY DCTLYFZHFGENCW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037408.txt index 2dfdf018329..d30522cadc1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037408 -RECORD_TITLE: Xanthosine-5'-monophosphate disodium salt , Xanthylic acid, (9-D-Ribosylxanthine)-5'-phosphate, XMP; LC-ESI-QQ; MS2 +RECORD_TITLE: Xanthosine-5'-monophosphate disodium salt , Xanthylic acid, (9-D-Ribosylxanthine)-5'-phosphate, XMP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:73323 CH$LINK: INCHIKEY DCTLYFZHFGENCW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037501.txt index 0e1f7120141..7258a5a3b4c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037501 -RECORD_TITLE: alpha,alpha-Dimethylglycine, 2-Methylalanine, alpha-Aminoisobutyric acid, 2-Amino-2-methylpropanoate, Aib, 2-Aminoisobutyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha,alpha-Dimethylglycine, 2-Methylalanine, alpha-Aminoisobutyric acid, 2-Amino-2-methylpropanoate, Aib, 2-Aminoisobutyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6119 CH$LINK: INCHIKEY FUOOLUPWFVMBKG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037502.txt index 553a16afc8d..daf99e51316 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037502 -RECORD_TITLE: alpha,alpha-Dimethylglycine, 2-Methylalanine, alpha-Aminoisobutyric acid, 2-Amino-2-methylpropanoate, Aib, 2-Aminoisobutyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha,alpha-Dimethylglycine, 2-Methylalanine, alpha-Aminoisobutyric acid, 2-Amino-2-methylpropanoate, Aib, 2-Aminoisobutyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6119 CH$LINK: INCHIKEY FUOOLUPWFVMBKG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037503.txt index 303e87ad9f9..6304a2e25d6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037503 -RECORD_TITLE: alpha,alpha-Dimethylglycine, 2-Methylalanine, alpha-Aminoisobutyric acid, 2-Amino-2-methylpropanoate, Aib, 2-Aminoisobutyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha,alpha-Dimethylglycine, 2-Methylalanine, alpha-Aminoisobutyric acid, 2-Amino-2-methylpropanoate, Aib, 2-Aminoisobutyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6119 CH$LINK: INCHIKEY FUOOLUPWFVMBKG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037601.txt index 83368890894..7dec8f8d6c4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037601 -RECORD_TITLE: alpha-D-Galactose-1-phosphate dipotassium salt pentahydrate , alpha-D-Galactopyranosyl 1-phosphate dipotassium salt, Gal-1P, Galactose-1P; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-Galactose-1-phosphate dipotassium salt pentahydrate , alpha-D-Galactopyranosyl 1-phosphate dipotassium salt, Gal-1P, Galactose-1P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:123912 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037607.txt index 549b0c230aa..a8398737a2e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037607 -RECORD_TITLE: alpha-D-Galactose-1-phosphate dipotassium salt pentahydrate , alpha-D-Galactopyranosyl 1-phosphate dipotassium salt, Gal-1P, Galactose-1P; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-Galactose-1-phosphate dipotassium salt pentahydrate , alpha-D-Galactopyranosyl 1-phosphate dipotassium salt, Gal-1P, Galactose-1P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:123912 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037608.txt index e91771ceb36..01022ec8516 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037608 -RECORD_TITLE: alpha-D-Galactose-1-phosphate dipotassium salt pentahydrate , alpha-D-Galactopyranosyl 1-phosphate dipotassium salt, Gal-1P, Galactose-1P; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-Galactose-1-phosphate dipotassium salt pentahydrate , alpha-D-Galactopyranosyl 1-phosphate dipotassium salt, Gal-1P, Galactose-1P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:123912 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037609.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037609.txt index 2693720efc1..bd307d40181 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037609.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037609.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037609 -RECORD_TITLE: alpha-D-Galactose-1-phosphate dipotassium salt pentahydrate , alpha-D-Galactopyranosyl 1-phosphate dipotassium salt, Gal-1P, Galactose-1P; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-Galactose-1-phosphate dipotassium salt pentahydrate , alpha-D-Galactopyranosyl 1-phosphate dipotassium salt, Gal-1P, Galactose-1P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:123912 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037610.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037610.txt index 36c26e091f2..af74d398308 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037610.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037610.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037610 -RECORD_TITLE: alpha-D-Galactose-1-phosphate dipotassium salt pentahydrate , alpha-D-Galactopyranosyl 1-phosphate dipotassium salt, Gal-1P, Galactose-1P; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-Galactose-1-phosphate dipotassium salt pentahydrate , alpha-D-Galactopyranosyl 1-phosphate dipotassium salt, Gal-1P, Galactose-1P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:123912 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037611.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037611.txt index 1102efad03d..9345b150126 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037611.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037611.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037611 -RECORD_TITLE: alpha-D-Galactose-1-phosphate dipotassium salt pentahydrate , alpha-D-Galactopyranosyl 1-phosphate dipotassium salt, Gal-1P, Galactose-1P; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-Galactose-1-phosphate dipotassium salt pentahydrate , alpha-D-Galactopyranosyl 1-phosphate dipotassium salt, Gal-1P, Galactose-1P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:123912 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037703.txt index 0b95d79399c..fe2b0a6b66a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037703 -RECORD_TITLE: alpha-D-Glucose-1,6-diphosphate potassium salt hydrate, alpha-D-Glucose 1,6-diphosphate potassium salt hydrate, Glc-1,6P; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-Glucose-1,6-diphosphate potassium salt hydrate, alpha-D-Glucose 1,6-diphosphate potassium salt hydrate, Glc-1,6P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:82400 CH$LINK: INCHIKEY RWHOZGRAXYWRNX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037707.txt index f0b03a976d5..6e926467a93 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037707 -RECORD_TITLE: alpha-D-Glucose-1,6-diphosphate potassium salt hydrate, alpha-D-Glucose 1,6-diphosphate potassium salt hydrate, Glc-1,6P; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-Glucose-1,6-diphosphate potassium salt hydrate, alpha-D-Glucose 1,6-diphosphate potassium salt hydrate, Glc-1,6P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:82400 CH$LINK: INCHIKEY RWHOZGRAXYWRNX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037708.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037708.txt index 89ec7c6aea8..aa5346f4b0e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037708.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037708 -RECORD_TITLE: alpha-D-Glucose-1,6-diphosphate potassium salt hydrate, alpha-D-Glucose 1,6-diphosphate potassium salt hydrate, Glc-1,6P; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-Glucose-1,6-diphosphate potassium salt hydrate, alpha-D-Glucose 1,6-diphosphate potassium salt hydrate, Glc-1,6P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:82400 CH$LINK: INCHIKEY RWHOZGRAXYWRNX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037709.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037709.txt index 8a929924306..64c8bb9cd75 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037709.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037709.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037709 -RECORD_TITLE: alpha-D-Glucose-1,6-diphosphate potassium salt hydrate, alpha-D-Glucose 1,6-diphosphate potassium salt hydrate, Glc-1,6P; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-Glucose-1,6-diphosphate potassium salt hydrate, alpha-D-Glucose 1,6-diphosphate potassium salt hydrate, Glc-1,6P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:82400 CH$LINK: INCHIKEY RWHOZGRAXYWRNX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037807.txt index 7230ae7063d..af67fed20b8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037807 -RECORD_TITLE: 2-Oxopentanedioic acid, alpha-ketoglutarate, 2-Ketoglutaric Acid, 2-oxoglutarate, 2-Oxoglutaric acid, alpha-Ketoglutaric acid disodium salt, 2-Oxo-1,5-pentanedioic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Oxopentanedioic acid, alpha-ketoglutarate, 2-Ketoglutaric Acid, 2-oxoglutarate, 2-Oxoglutaric acid, alpha-Ketoglutaric acid disodium salt, 2-Oxo-1,5-pentanedioic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:51 CH$LINK: INCHIKEY KPGXRSRHYNQIFN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001115; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Gamma-keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037901.txt index a13b2956098..22f4366eeb6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037901 -RECORD_TITLE: alpha-D-lactobiose, Lac, (Gal(beta1-4)Glc) , alpha-Lactose monohydrate, beta-D-Gal-(1-4)-alpha-D-Glc, Milk sugar, 4-O-beta-D-Galactopyranosyl-alpha-D-glucose; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-lactobiose, Lac, (Gal(beta1-4)Glc) , alpha-Lactose monohydrate, beta-D-Gal-(1-4)-alpha-D-Glc, Milk sugar, 4-O-beta-D-Galactopyranosyl-alpha-D-glucose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:84571 CH$LINK: INCHIKEY GUBGYTABKSRVRQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037902.txt index ace3140f714..5072b549aae 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037902 -RECORD_TITLE: alpha-D-lactobiose, Lac, (Gal(beta1-4)Glc) , alpha-Lactose monohydrate, beta-D-Gal-(1-4)-alpha-D-Glc, Milk sugar, 4-O-beta-D-Galactopyranosyl-alpha-D-glucose; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-lactobiose, Lac, (Gal(beta1-4)Glc) , alpha-Lactose monohydrate, beta-D-Gal-(1-4)-alpha-D-Glc, Milk sugar, 4-O-beta-D-Galactopyranosyl-alpha-D-glucose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:84571 CH$LINK: INCHIKEY GUBGYTABKSRVRQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037903.txt index 61d85c5359e..988e847045e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS037903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS037903 -RECORD_TITLE: alpha-D-lactobiose, Lac, (Gal(beta1-4)Glc) , alpha-Lactose monohydrate, beta-D-Gal-(1-4)-alpha-D-Glc, Milk sugar, 4-O-beta-D-Galactopyranosyl-alpha-D-glucose; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-lactobiose, Lac, (Gal(beta1-4)Glc) , alpha-Lactose monohydrate, beta-D-Gal-(1-4)-alpha-D-Glc, Milk sugar, 4-O-beta-D-Galactopyranosyl-alpha-D-glucose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:84571 CH$LINK: INCHIKEY GUBGYTABKSRVRQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038001.txt index 2331ec8a301..f84aec61620 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038001 -RECORD_TITLE: DL-2-Amino-3-hydroxy-2-methylpropionic Acid, DL-2-Methylserine, alpha-Methyl-DL-serine, DL-alpha-(Hydroxymethyl)alanine, 2-Amino-3-hydroxy-2-methylpropanoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-2-Amino-3-hydroxy-2-methylpropionic Acid, DL-2-Methylserine, alpha-Methyl-DL-serine, DL-alpha-(Hydroxymethyl)alanine, 2-Amino-3-hydroxy-2-methylpropanoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439656 CH$LINK: INCHIKEY CDUUKBXTEOFITR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038002.txt index 8bbbc6d9329..120acdc3ec8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038002 -RECORD_TITLE: DL-2-Amino-3-hydroxy-2-methylpropionic Acid, DL-2-Methylserine, alpha-Methyl-DL-serine, DL-alpha-(Hydroxymethyl)alanine, 2-Amino-3-hydroxy-2-methylpropanoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-2-Amino-3-hydroxy-2-methylpropionic Acid, DL-2-Methylserine, alpha-Methyl-DL-serine, DL-alpha-(Hydroxymethyl)alanine, 2-Amino-3-hydroxy-2-methylpropanoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439656 CH$LINK: INCHIKEY CDUUKBXTEOFITR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038003.txt index 9cd8e64be34..b3a32450472 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038003 -RECORD_TITLE: DL-2-Amino-3-hydroxy-2-methylpropionic Acid, DL-2-Methylserine, alpha-Methyl-DL-serine, DL-alpha-(Hydroxymethyl)alanine, 2-Amino-3-hydroxy-2-methylpropanoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-2-Amino-3-hydroxy-2-methylpropionic Acid, DL-2-Methylserine, alpha-Methyl-DL-serine, DL-alpha-(Hydroxymethyl)alanine, 2-Amino-3-hydroxy-2-methylpropanoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439656 CH$LINK: INCHIKEY CDUUKBXTEOFITR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038101.txt index a7965faef55..30c14b0cc72 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038101 -RECORD_TITLE: beta-Ala, 3-Aminopropionic acid, 3-Aminopropanoate, beta-Alanine, beta-Aminopropanoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Ala, 3-Aminopropionic acid, 3-Aminopropanoate, beta-Alanine, beta-Aminopropanoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:239 CH$LINK: INCHIKEY UCMIRNVEIXFBKS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038102.txt index 934e58819c6..bc878c5c5a9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038102 -RECORD_TITLE: beta-Ala, 3-Aminopropionic acid, 3-Aminopropanoate, beta-Alanine, beta-Aminopropanoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Ala, 3-Aminopropionic acid, 3-Aminopropanoate, beta-Alanine, beta-Aminopropanoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:239 CH$LINK: INCHIKEY UCMIRNVEIXFBKS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038103.txt index 833a064d94d..bf94e30fb52 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038103 -RECORD_TITLE: beta-Ala, 3-Aminopropionic acid, 3-Aminopropanoate, beta-Alanine, beta-Aminopropanoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Ala, 3-Aminopropionic acid, 3-Aminopropanoate, beta-Alanine, beta-Aminopropanoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:239 CH$LINK: INCHIKEY UCMIRNVEIXFBKS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038104.txt index 88b81db626a..1c3828b70e5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038104 -RECORD_TITLE: beta-Ala, 3-Aminopropionic acid, 3-Aminopropanoate, beta-Alanine, beta-Aminopropanoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Ala, 3-Aminopropionic acid, 3-Aminopropanoate, beta-Alanine, beta-Aminopropanoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:239 CH$LINK: INCHIKEY UCMIRNVEIXFBKS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038202.txt index 75d4675949b..d064e642061 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038202 -RECORD_TITLE: beta-D-Glucopyranose, beta-D(+)Glucose, beta-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-D-Glucopyranose, beta-D(+)Glucose, beta-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:64689 CH$LINK: INCHIKEY WQZGKKKJIJFFOK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038301.txt index 66caa713637..28f5a0f0e4d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038301 -RECORD_TITLE: 3-Guanidinopropanoic acid, N-(Aminomethyl)-beta-alanine, 3-Guanidinopropionic acid, 3-Guanidinopropanoate, beta-Guanidinopropionic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Guanidinopropanoic acid, N-(Aminomethyl)-beta-alanine, 3-Guanidinopropionic acid, 3-Guanidinopropanoate, beta-Guanidinopropionic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:67701 CH$LINK: INCHIKEY KMXXSJLYVJEBHI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038302.txt index b92815c9d95..8d5339ac459 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038302 -RECORD_TITLE: 3-Guanidinopropanoic acid, N-(Aminomethyl)-beta-alanine, 3-Guanidinopropionic acid, 3-Guanidinopropanoate, beta-Guanidinopropionic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Guanidinopropanoic acid, N-(Aminomethyl)-beta-alanine, 3-Guanidinopropionic acid, 3-Guanidinopropanoate, beta-Guanidinopropionic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:67701 CH$LINK: INCHIKEY KMXXSJLYVJEBHI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038303.txt index 0247745e9c6..2c6cd2dea8d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038303 -RECORD_TITLE: 3-Guanidinopropanoic acid, N-(Aminomethyl)-beta-alanine, 3-Guanidinopropionic acid, 3-Guanidinopropanoate, beta-Guanidinopropionic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Guanidinopropanoic acid, N-(Aminomethyl)-beta-alanine, 3-Guanidinopropionic acid, 3-Guanidinopropanoate, beta-Guanidinopropionic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:67701 CH$LINK: INCHIKEY KMXXSJLYVJEBHI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038305.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038305.txt index 3341f5460b3..b3a94f98ca8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038305.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038305 -RECORD_TITLE: 3-Guanidinopropanoic acid, N-(Aminomethyl)-beta-alanine, 3-Guanidinopropionic acid, 3-Guanidinopropanoate, beta-Guanidinopropionic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Guanidinopropanoic acid, N-(Aminomethyl)-beta-alanine, 3-Guanidinopropionic acid, 3-Guanidinopropanoate, beta-Guanidinopropionic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:67701 CH$LINK: INCHIKEY KMXXSJLYVJEBHI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038501.txt index 6425c29a4b5..83e5bff00bb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038501 -RECORD_TITLE: beta-Methylcrotonyl coenzyme A lithium salt , 3-Methylcrotonyl-CoA, beta-Methylcrotonyl-CoA, trans-3-Methyl-2-butenoyl Coenzyme A, 3-methylbut-2-enoyl-CoA, Dimethylacryloyl-CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Methylcrotonyl coenzyme A lithium salt , 3-Methylcrotonyl-CoA, beta-Methylcrotonyl-CoA, trans-3-Methyl-2-butenoyl Coenzyme A, 3-methylbut-2-enoyl-CoA, Dimethylacryloyl-CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439869 CH$LINK: INCHIKEY BXIPALATIYNHJN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038502.txt index 7cd4a295c35..16d5a7ae2a9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038502 -RECORD_TITLE: beta-Methylcrotonyl coenzyme A lithium salt , 3-Methylcrotonyl-CoA, beta-Methylcrotonyl-CoA, trans-3-Methyl-2-butenoyl Coenzyme A, 3-methylbut-2-enoyl-CoA, Dimethylacryloyl-CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Methylcrotonyl coenzyme A lithium salt , 3-Methylcrotonyl-CoA, beta-Methylcrotonyl-CoA, trans-3-Methyl-2-butenoyl Coenzyme A, 3-methylbut-2-enoyl-CoA, Dimethylacryloyl-CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439869 CH$LINK: INCHIKEY BXIPALATIYNHJN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038503.txt index 7d48740bf35..3486846a963 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038503 -RECORD_TITLE: beta-Methylcrotonyl coenzyme A lithium salt , 3-Methylcrotonyl-CoA, beta-Methylcrotonyl-CoA, trans-3-Methyl-2-butenoyl Coenzyme A, 3-methylbut-2-enoyl-CoA, Dimethylacryloyl-CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Methylcrotonyl coenzyme A lithium salt , 3-Methylcrotonyl-CoA, beta-Methylcrotonyl-CoA, trans-3-Methyl-2-butenoyl Coenzyme A, 3-methylbut-2-enoyl-CoA, Dimethylacryloyl-CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439869 CH$LINK: INCHIKEY BXIPALATIYNHJN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038507.txt index 31070d7877f..360e3e04475 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038507 -RECORD_TITLE: beta-Methylcrotonyl coenzyme A lithium salt , 3-Methylcrotonyl-CoA, beta-Methylcrotonyl-CoA, trans-3-Methyl-2-butenoyl Coenzyme A, 3-methylbut-2-enoyl-CoA, Dimethylacryloyl-CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Methylcrotonyl coenzyme A lithium salt , 3-Methylcrotonyl-CoA, beta-Methylcrotonyl-CoA, trans-3-Methyl-2-butenoyl Coenzyme A, 3-methylbut-2-enoyl-CoA, Dimethylacryloyl-CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439869 CH$LINK: INCHIKEY BXIPALATIYNHJN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038510.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038510.txt index 86ae8196b83..8655329f5a3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038510.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038510.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038510 -RECORD_TITLE: beta-Methylcrotonyl coenzyme A lithium salt , 3-Methylcrotonyl-CoA, beta-Methylcrotonyl-CoA, trans-3-Methyl-2-butenoyl Coenzyme A, 3-methylbut-2-enoyl-CoA, Dimethylacryloyl-CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Methylcrotonyl coenzyme A lithium salt , 3-Methylcrotonyl-CoA, beta-Methylcrotonyl-CoA, trans-3-Methyl-2-butenoyl Coenzyme A, 3-methylbut-2-enoyl-CoA, Dimethylacryloyl-CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439869 CH$LINK: INCHIKEY BXIPALATIYNHJN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038701.txt index 5a91b136838..edd296bd5b0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038701 -RECORD_TITLE: Nicotinamide ribotide, beta-Nicotinamide mononucleotide, Nicotinamide-1-ium-1-beta-D-ribofuranoside 5'-phosphate, beta-Nicotinamide ribose monophosphate, beta-NMN; LC-ESI-QQ; MS2 +RECORD_TITLE: Nicotinamide ribotide, beta-Nicotinamide mononucleotide, Nicotinamide-1-ium-1-beta-D-ribofuranoside 5'-phosphate, beta-Nicotinamide ribose monophosphate, beta-NMN; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:14180 CH$LINK: INCHIKEY DAYLJWODMCOQEW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001268; Organic compounds; Nucleosides, nucleotides, and analogues; Pyridine nucleotides; Nicotinamide nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038702.txt index c4c1cfba655..1e0c223d81f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038702 -RECORD_TITLE: Nicotinamide ribotide, beta-Nicotinamide mononucleotide, Nicotinamide-1-ium-1-beta-D-ribofuranoside 5'-phosphate, beta-Nicotinamide ribose monophosphate, beta-NMN; LC-ESI-QQ; MS2 +RECORD_TITLE: Nicotinamide ribotide, beta-Nicotinamide mononucleotide, Nicotinamide-1-ium-1-beta-D-ribofuranoside 5'-phosphate, beta-Nicotinamide ribose monophosphate, beta-NMN; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:14180 CH$LINK: INCHIKEY DAYLJWODMCOQEW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001268; Organic compounds; Nucleosides, nucleotides, and analogues; Pyridine nucleotides; Nicotinamide nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038703.txt index ff8767b14fe..be914323b84 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038703 -RECORD_TITLE: Nicotinamide ribotide, beta-Nicotinamide mononucleotide, Nicotinamide-1-ium-1-beta-D-ribofuranoside 5'-phosphate, beta-Nicotinamide ribose monophosphate, beta-NMN; LC-ESI-QQ; MS2 +RECORD_TITLE: Nicotinamide ribotide, beta-Nicotinamide mononucleotide, Nicotinamide-1-ium-1-beta-D-ribofuranoside 5'-phosphate, beta-Nicotinamide ribose monophosphate, beta-NMN; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:14180 CH$LINK: INCHIKEY DAYLJWODMCOQEW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001268; Organic compounds; Nucleosides, nucleotides, and analogues; Pyridine nucleotides; Nicotinamide nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038704.txt index 3cf8c34c857..0d2c41a8694 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038704 -RECORD_TITLE: Nicotinamide ribotide, beta-Nicotinamide mononucleotide, Nicotinamide-1-ium-1-beta-D-ribofuranoside 5'-phosphate, beta-Nicotinamide ribose monophosphate, beta-NMN; LC-ESI-QQ; MS2 +RECORD_TITLE: Nicotinamide ribotide, beta-Nicotinamide mononucleotide, Nicotinamide-1-ium-1-beta-D-ribofuranoside 5'-phosphate, beta-Nicotinamide ribose monophosphate, beta-NMN; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:14180 CH$LINK: INCHIKEY DAYLJWODMCOQEW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001268; Organic compounds; Nucleosides, nucleotides, and analogues; Pyridine nucleotides; Nicotinamide nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038705.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038705.txt index 52db7171d80..fe0e272e29d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038705.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038705 -RECORD_TITLE: Nicotinamide ribotide, beta-Nicotinamide mononucleotide, Nicotinamide-1-ium-1-beta-D-ribofuranoside 5'-phosphate, beta-Nicotinamide ribose monophosphate, beta-NMN; LC-ESI-QQ; MS2 +RECORD_TITLE: Nicotinamide ribotide, beta-Nicotinamide mononucleotide, Nicotinamide-1-ium-1-beta-D-ribofuranoside 5'-phosphate, beta-Nicotinamide ribose monophosphate, beta-NMN; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:14180 CH$LINK: INCHIKEY DAYLJWODMCOQEW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001268; Organic compounds; Nucleosides, nucleotides, and analogues; Pyridine nucleotides; Nicotinamide nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038706.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038706.txt index 7144dc6003b..f9cf2c09d75 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038706.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038706.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038706 -RECORD_TITLE: Nicotinamide ribotide, beta-Nicotinamide mononucleotide, Nicotinamide-1-ium-1-beta-D-ribofuranoside 5'-phosphate, beta-Nicotinamide ribose monophosphate, beta-NMN; LC-ESI-QQ; MS2 +RECORD_TITLE: Nicotinamide ribotide, beta-Nicotinamide mononucleotide, Nicotinamide-1-ium-1-beta-D-ribofuranoside 5'-phosphate, beta-Nicotinamide ribose monophosphate, beta-NMN; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:14180 CH$LINK: INCHIKEY DAYLJWODMCOQEW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001268; Organic compounds; Nucleosides, nucleotides, and analogues; Pyridine nucleotides; Nicotinamide nucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038801.txt index cd4ae1ac8f7..56fc8e0087e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038801 -RECORD_TITLE: 2-Oxo-3-phenylpropanoic acid, Phenylpyruvic acid sodium salt, alpha-ketohydrocinnamic acid, 3-Phenyl-2-oxopropanoate, beta-Phenylpyruvic acid, Sodium phenylpyruvate, beta-Phenylpyruvate; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Oxo-3-phenylpropanoic acid, Phenylpyruvic acid sodium salt, alpha-ketohydrocinnamic acid, 3-Phenyl-2-oxopropanoate, beta-Phenylpyruvic acid, Sodium phenylpyruvate, beta-Phenylpyruvate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:997 CH$LINK: INCHIKEY BTNMPGBKDVTSJY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001276; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpyruvic acid derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038807.txt index 3f41349a941..e1fd9bce4d4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038807 -RECORD_TITLE: 2-Oxo-3-phenylpropanoic acid, Phenylpyruvic acid sodium salt, alpha-ketohydrocinnamic acid, 3-Phenyl-2-oxopropanoate, beta-Phenylpyruvic acid, Sodium phenylpyruvate, beta-Phenylpyruvate; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Oxo-3-phenylpropanoic acid, Phenylpyruvic acid sodium salt, alpha-ketohydrocinnamic acid, 3-Phenyl-2-oxopropanoate, beta-Phenylpyruvic acid, Sodium phenylpyruvate, beta-Phenylpyruvate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:997 CH$LINK: INCHIKEY BTNMPGBKDVTSJY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001276; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpyruvic acid derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038808.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038808.txt index 49c6322327b..7c150715328 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038808.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038808 -RECORD_TITLE: 2-Oxo-3-phenylpropanoic acid, Phenylpyruvic acid sodium salt, alpha-ketohydrocinnamic acid, 3-Phenyl-2-oxopropanoate, beta-Phenylpyruvic acid, Sodium phenylpyruvate, beta-Phenylpyruvate; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Oxo-3-phenylpropanoic acid, Phenylpyruvic acid sodium salt, alpha-ketohydrocinnamic acid, 3-Phenyl-2-oxopropanoate, beta-Phenylpyruvic acid, Sodium phenylpyruvate, beta-Phenylpyruvate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:997 CH$LINK: INCHIKEY BTNMPGBKDVTSJY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001276; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylpyruvic acid derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038901.txt index 3eeed2efa15..31ea7656bd2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038901 -RECORD_TITLE: Piperidinic acid, 4-Aminobutanoic acid, Piperidic acid, 4-Aminobutylate, 4-Aminobutyric acid, Aminalon, GABA, gamma-Amino-n-butyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Piperidinic acid, 4-Aminobutanoic acid, Piperidic acid, 4-Aminobutylate, 4-Aminobutyric acid, Aminalon, GABA, gamma-Amino-n-butyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:119 CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038902.txt index 7f99ff56cbe..0da926cd494 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038902 -RECORD_TITLE: Piperidinic acid, 4-Aminobutanoic acid, Piperidic acid, 4-Aminobutylate, 4-Aminobutyric acid, Aminalon, GABA, gamma-Amino-n-butyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Piperidinic acid, 4-Aminobutanoic acid, Piperidic acid, 4-Aminobutylate, 4-Aminobutyric acid, Aminalon, GABA, gamma-Amino-n-butyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:119 CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038905.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038905.txt index 4a548bb1ed9..9816157367a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038905.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS038905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS038905 -RECORD_TITLE: Piperidinic acid, 4-Aminobutanoic acid, Piperidic acid, 4-Aminobutylate, 4-Aminobutyric acid, Aminalon, GABA, gamma-Amino-n-butyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Piperidinic acid, 4-Aminobutanoic acid, Piperidic acid, 4-Aminobutylate, 4-Aminobutyric acid, Aminalon, GABA, gamma-Amino-n-butyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:119 CH$LINK: INCHIKEY BTCSSZJGUNDROE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039101.txt index 42f94346f8e..253912b563b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039101 -RECORD_TITLE: Kerastick, Aladerm, ALA, 5-Aminolevulinate, delta-Aminolevulinic acid hydrochloride, 5-Amino-4-oxopentanoic acid, 5-Aminolaevulinic acid, 5-Amino-4-oxopentanoate, Levulan; LC-ESI-QQ; MS2 +RECORD_TITLE: Kerastick, Aladerm, ALA, 5-Aminolevulinate, delta-Aminolevulinic acid hydrochloride, 5-Amino-4-oxopentanoic acid, 5-Aminolaevulinic acid, 5-Amino-4-oxopentanoate, Levulan; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:137 CH$LINK: INCHIKEY ZGXJTSGNIOSYLO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039102.txt index 2893f984c0c..014d63acc24 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039102 -RECORD_TITLE: Kerastick, Aladerm, ALA, 5-Aminolevulinate, delta-Aminolevulinic acid hydrochloride, 5-Amino-4-oxopentanoic acid, 5-Aminolaevulinic acid, 5-Amino-4-oxopentanoate, Levulan; LC-ESI-QQ; MS2 +RECORD_TITLE: Kerastick, Aladerm, ALA, 5-Aminolevulinate, delta-Aminolevulinic acid hydrochloride, 5-Amino-4-oxopentanoic acid, 5-Aminolaevulinic acid, 5-Amino-4-oxopentanoate, Levulan; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:137 CH$LINK: INCHIKEY ZGXJTSGNIOSYLO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039201.txt index a97ad7bdf8f..fb539ea864c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039201 -RECORD_TITLE: Acepramine, Epsilcapramine, Caprolisin, epsilon-Amino-n-caproic acid, Respramin, 6-Aminohexanoate, epsilon-Leucin, 6-Aminohexanoic acid, Epsilcapramin, Hemocaprol, 6-Ahx, EACA, 6-Aminocaproic acid, ACS, 6-Aca; LC-ESI-QQ; MS2 +RECORD_TITLE: Acepramine, Epsilcapramine, Caprolisin, epsilon-Amino-n-caproic acid, Respramin, 6-Aminohexanoate, epsilon-Leucin, 6-Aminohexanoic acid, Epsilcapramin, Hemocaprol, 6-Ahx, EACA, 6-Aminocaproic acid, ACS, 6-Aca; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -38,7 +38,7 @@ CH$LINK: PUBCHEM CID:564 CH$LINK: INCHIKEY SLXKOJJOQWFEFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039202.txt index 6bd099776a2..bd913673626 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039202 -RECORD_TITLE: Acepramine, Epsilcapramine, Caprolisin, epsilon-Amino-n-caproic acid, Respramin, 6-Aminohexanoate, epsilon-Leucin, 6-Aminohexanoic acid, Epsilcapramin, Hemocaprol, 6-Ahx, EACA, 6-Aminocaproic acid, ACS, 6-Aca; LC-ESI-QQ; MS2 +RECORD_TITLE: Acepramine, Epsilcapramine, Caprolisin, epsilon-Amino-n-caproic acid, Respramin, 6-Aminohexanoate, epsilon-Leucin, 6-Aminohexanoic acid, Epsilcapramin, Hemocaprol, 6-Ahx, EACA, 6-Aminocaproic acid, ACS, 6-Aca; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -38,7 +38,7 @@ CH$LINK: PUBCHEM CID:564 CH$LINK: INCHIKEY SLXKOJJOQWFEFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039203.txt index ea02fad4577..380784bf8d6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039203 -RECORD_TITLE: Acepramine, Epsilcapramine, Caprolisin, epsilon-Amino-n-caproic acid, Respramin, 6-Aminohexanoate, epsilon-Leucin, 6-Aminohexanoic acid, Epsilcapramin, Hemocaprol, 6-Ahx, EACA, 6-Aminocaproic acid, ACS, 6-Aca; LC-ESI-QQ; MS2 +RECORD_TITLE: Acepramine, Epsilcapramine, Caprolisin, epsilon-Amino-n-caproic acid, Respramin, 6-Aminohexanoate, epsilon-Leucin, 6-Aminohexanoic acid, Epsilcapramin, Hemocaprol, 6-Ahx, EACA, 6-Aminocaproic acid, ACS, 6-Aca; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -38,7 +38,7 @@ CH$LINK: PUBCHEM CID:564 CH$LINK: INCHIKEY SLXKOJJOQWFEFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039204.txt index 1b6de657df8..546164f7cc1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039204 -RECORD_TITLE: Acepramine, Epsilcapramine, Caprolisin, epsilon-Amino-n-caproic acid, Respramin, 6-Aminohexanoate, epsilon-Leucin, 6-Aminohexanoic acid, Epsilcapramin, Hemocaprol, 6-Ahx, EACA, 6-Aminocaproic acid, ACS, 6-Aca; LC-ESI-QQ; MS2 +RECORD_TITLE: Acepramine, Epsilcapramine, Caprolisin, epsilon-Amino-n-caproic acid, Respramin, 6-Aminohexanoate, epsilon-Leucin, 6-Aminohexanoic acid, Epsilcapramin, Hemocaprol, 6-Ahx, EACA, 6-Aminocaproic acid, ACS, 6-Aca; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -38,7 +38,7 @@ CH$LINK: PUBCHEM CID:564 CH$LINK: INCHIKEY SLXKOJJOQWFEFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039301.txt index feb370669d3..9f29449539e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039301 -RECORD_TITLE: Apigenol, 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone, 4',5,7-trihydroxyflavone, Apigenin, Naringenin Chalcone, Chamomile, Apig; LC-ESI-QQ; MS2 +RECORD_TITLE: Apigenol, 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone, 4',5,7-trihydroxyflavone, Apigenin, Naringenin Chalcone, Chamomile, Apig; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5280443 CH$LINK: INCHIKEY KZNIFHPLKGYRTM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039302.txt index b676df8626d..6681bb2fd95 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039302 -RECORD_TITLE: Apigenol, 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone, 4',5,7-trihydroxyflavone, Apigenin, Naringenin Chalcone, Chamomile, Apig; LC-ESI-QQ; MS2 +RECORD_TITLE: Apigenol, 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone, 4',5,7-trihydroxyflavone, Apigenin, Naringenin Chalcone, Chamomile, Apig; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5280443 CH$LINK: INCHIKEY KZNIFHPLKGYRTM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039303.txt index 1720ce468d6..bd32cc75a08 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039303 -RECORD_TITLE: Apigenol, 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone, 4',5,7-trihydroxyflavone, Apigenin, Naringenin Chalcone, Chamomile, Apig; LC-ESI-QQ; MS2 +RECORD_TITLE: Apigenol, 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone, 4',5,7-trihydroxyflavone, Apigenin, Naringenin Chalcone, Chamomile, Apig; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5280443 CH$LINK: INCHIKEY KZNIFHPLKGYRTM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039304.txt index 04e5ee5a83d..5554d72eef4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039304 -RECORD_TITLE: Apigenol, 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone, 4',5,7-trihydroxyflavone, Apigenin, Naringenin Chalcone, Chamomile, Apig; LC-ESI-QQ; MS2 +RECORD_TITLE: Apigenol, 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone, 4',5,7-trihydroxyflavone, Apigenin, Naringenin Chalcone, Chamomile, Apig; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5280443 CH$LINK: INCHIKEY KZNIFHPLKGYRTM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039307.txt index 8346e752fcd..36d1056ffb1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039307 -RECORD_TITLE: Apigenol, 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone, 4',5,7-trihydroxyflavone, Apigenin, Naringenin Chalcone, Chamomile, Apig; LC-ESI-QQ; MS2 +RECORD_TITLE: Apigenol, 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone, 4',5,7-trihydroxyflavone, Apigenin, Naringenin Chalcone, Chamomile, Apig; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5280443 CH$LINK: INCHIKEY KZNIFHPLKGYRTM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039308.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039308.txt index e5165fdc2e7..738e80d8899 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039308.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039308.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039308 -RECORD_TITLE: Apigenol, 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone, 4',5,7-trihydroxyflavone, Apigenin, Naringenin Chalcone, Chamomile, Apig; LC-ESI-QQ; MS2 +RECORD_TITLE: Apigenol, 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone, 4',5,7-trihydroxyflavone, Apigenin, Naringenin Chalcone, Chamomile, Apig; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5280443 CH$LINK: INCHIKEY KZNIFHPLKGYRTM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039309.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039309.txt index 1167958041e..b6bb08aa690 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039309.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039309.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039309 -RECORD_TITLE: Apigenol, 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone, 4',5,7-trihydroxyflavone, Apigenin, Naringenin Chalcone, Chamomile, Apig; LC-ESI-QQ; MS2 +RECORD_TITLE: Apigenol, 5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone, 4',5,7-trihydroxyflavone, Apigenin, Naringenin Chalcone, Chamomile, Apig; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5280443 CH$LINK: INCHIKEY KZNIFHPLKGYRTM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039401.txt index 261d1610eb9..8937363c1c9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039401 -RECORD_TITLE: 1,2-Benzenediol, o-Benzenediol, o-Diphenol, 1,2-dihydroxybenzen, Catechol, Pyrocatechinic acid, Brenzcatechin, Oxyphenic acid, o-Phenylenediol, Pyrocatechuic Acid, Phthalhydroquinone, Pyrocatechol; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,2-Benzenediol, o-Benzenediol, o-Diphenol, 1,2-dihydroxybenzen, Catechol, Pyrocatechinic acid, Brenzcatechin, Oxyphenic acid, o-Phenylenediol, Pyrocatechuic Acid, Phthalhydroquinone, Pyrocatechol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:289 CH$LINK: INCHIKEY YCIMNLLNPGFGHC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039402.txt index 9c585515108..f0299609b47 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039402 -RECORD_TITLE: 1,2-Benzenediol, o-Benzenediol, o-Diphenol, 1,2-dihydroxybenzen, Catechol, Pyrocatechinic acid, Brenzcatechin, Oxyphenic acid, o-Phenylenediol, Pyrocatechuic Acid, Phthalhydroquinone, Pyrocatechol; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,2-Benzenediol, o-Benzenediol, o-Diphenol, 1,2-dihydroxybenzen, Catechol, Pyrocatechinic acid, Brenzcatechin, Oxyphenic acid, o-Phenylenediol, Pyrocatechuic Acid, Phthalhydroquinone, Pyrocatechol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:289 CH$LINK: INCHIKEY YCIMNLLNPGFGHC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039701.txt index 253340a6a5d..f484e88c958 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039701 -RECORD_TITLE: 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone, Ddze, 7-Hydroxy-3-(4-hydroxy?phenyl)-4H-1-benzo?pyran-4-one, Daidzein, Daidzeol, 7-Hydroxy-3-(4-hydroxy?phenyl)?chromone, 4',7-dihydroxyisoflavone; LC-ESI-QQ; MS2 +RECORD_TITLE: 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone, Ddze, 7-Hydroxy-3-(4-hydroxy?phenyl)-4H-1-benzo?pyran-4-one, Daidzein, Daidzeol, 7-Hydroxy-3-(4-hydroxy?phenyl)?chromone, 4',7-dihydroxyisoflavone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281708 CH$LINK: INCHIKEY ZQSIJRDFPHDXIC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002901; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039702.txt index f41d8a729d6..d6231c40d76 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039702 -RECORD_TITLE: 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone, Ddze, 7-Hydroxy-3-(4-hydroxy?phenyl)-4H-1-benzo?pyran-4-one, Daidzein, Daidzeol, 7-Hydroxy-3-(4-hydroxy?phenyl)?chromone, 4',7-dihydroxyisoflavone; LC-ESI-QQ; MS2 +RECORD_TITLE: 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone, Ddze, 7-Hydroxy-3-(4-hydroxy?phenyl)-4H-1-benzo?pyran-4-one, Daidzein, Daidzeol, 7-Hydroxy-3-(4-hydroxy?phenyl)?chromone, 4',7-dihydroxyisoflavone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281708 CH$LINK: INCHIKEY ZQSIJRDFPHDXIC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002901; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039703.txt index 65ed5f722a5..1877997ae1d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039703 -RECORD_TITLE: 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone, Ddze, 7-Hydroxy-3-(4-hydroxy?phenyl)-4H-1-benzo?pyran-4-one, Daidzein, Daidzeol, 7-Hydroxy-3-(4-hydroxy?phenyl)?chromone, 4',7-dihydroxyisoflavone; LC-ESI-QQ; MS2 +RECORD_TITLE: 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone, Ddze, 7-Hydroxy-3-(4-hydroxy?phenyl)-4H-1-benzo?pyran-4-one, Daidzein, Daidzeol, 7-Hydroxy-3-(4-hydroxy?phenyl)?chromone, 4',7-dihydroxyisoflavone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281708 CH$LINK: INCHIKEY ZQSIJRDFPHDXIC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002901; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039704.txt index dbce758187f..dc31d3e07c7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039704 -RECORD_TITLE: 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone, Ddze, 7-Hydroxy-3-(4-hydroxy?phenyl)-4H-1-benzo?pyran-4-one, Daidzein, Daidzeol, 7-Hydroxy-3-(4-hydroxy?phenyl)?chromone, 4',7-dihydroxyisoflavone; LC-ESI-QQ; MS2 +RECORD_TITLE: 7-Hydroxy-3-(4-hydroxyphenyl)-4-benzopyrone, Ddze, 7-Hydroxy-3-(4-hydroxy?phenyl)-4H-1-benzo?pyran-4-one, Daidzein, Daidzeol, 7-Hydroxy-3-(4-hydroxy?phenyl)?chromone, 4',7-dihydroxyisoflavone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281708 CH$LINK: INCHIKEY ZQSIJRDFPHDXIC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002901; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039801.txt index d42f1fb2cd5..78aa844145d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039801 -RECORD_TITLE: 3',4',5,7-tetrahydroxyflavanone, Eriodictiol, Eriodictyol, Erid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',4',5,7-tetrahydroxyflavanone, Eriodictiol, Eriodictyol, Erid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:440735 CH$LINK: INCHIKEY SBHXYTNGIZCORC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039802.txt index 0a170a88298..5ce94012dfd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039802 -RECORD_TITLE: 3',4',5,7-tetrahydroxyflavanone, Eriodictiol, Eriodictyol, Erid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',4',5,7-tetrahydroxyflavanone, Eriodictiol, Eriodictyol, Erid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:440735 CH$LINK: INCHIKEY SBHXYTNGIZCORC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039803.txt index db6dc1306c9..e059c4444b2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039803 -RECORD_TITLE: 3',4',5,7-tetrahydroxyflavanone, Eriodictiol, Eriodictyol, Erid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',4',5,7-tetrahydroxyflavanone, Eriodictiol, Eriodictyol, Erid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:440735 CH$LINK: INCHIKEY SBHXYTNGIZCORC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039804.txt index e6fc6614a1c..95c68f7904b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039804 -RECORD_TITLE: 3',4',5,7-tetrahydroxyflavanone, Eriodictiol, Eriodictyol, Erid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',4',5,7-tetrahydroxyflavanone, Eriodictiol, Eriodictyol, Erid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:440735 CH$LINK: INCHIKEY SBHXYTNGIZCORC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039805.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039805.txt index eb838532e1d..ad649fdd4a6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039805.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039805 -RECORD_TITLE: 3',4',5,7-tetrahydroxyflavanone, Eriodictiol, Eriodictyol, Erid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',4',5,7-tetrahydroxyflavanone, Eriodictiol, Eriodictyol, Erid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:440735 CH$LINK: INCHIKEY SBHXYTNGIZCORC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039807.txt index d5e851820e0..f2720019085 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039807 -RECORD_TITLE: 3',4',5,7-tetrahydroxyflavanone, Eriodictiol, Eriodictyol, Erid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',4',5,7-tetrahydroxyflavanone, Eriodictiol, Eriodictyol, Erid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:440735 CH$LINK: INCHIKEY SBHXYTNGIZCORC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039808.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039808.txt index 1a0b046d012..03d83c48e32 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039808.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039808 -RECORD_TITLE: 3',4',5,7-tetrahydroxyflavanone, Eriodictiol, Eriodictyol, Erid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',4',5,7-tetrahydroxyflavanone, Eriodictiol, Eriodictyol, Erid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:440735 CH$LINK: INCHIKEY SBHXYTNGIZCORC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039809.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039809.txt index 6186f3eceae..84b06de9bbe 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039809.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039809.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039809 -RECORD_TITLE: 3',4',5,7-tetrahydroxyflavanone, Eriodictiol, Eriodictyol, Erid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',4',5,7-tetrahydroxyflavanone, Eriodictiol, Eriodictyol, Erid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:440735 CH$LINK: INCHIKEY SBHXYTNGIZCORC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039810.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039810.txt index 423394cd2fc..d9f08a30a76 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039810.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039810.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039810 -RECORD_TITLE: 3',4',5,7-tetrahydroxyflavanone, Eriodictiol, Eriodictyol, Erid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',4',5,7-tetrahydroxyflavanone, Eriodictiol, Eriodictyol, Erid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:440735 CH$LINK: INCHIKEY SBHXYTNGIZCORC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039811.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039811.txt index f4ccb7da71d..9bc8e2f81ed 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039811.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039811.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039811 -RECORD_TITLE: 3',4',5,7-tetrahydroxyflavanone, Eriodictiol, Eriodictyol, Erid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',4',5,7-tetrahydroxyflavanone, Eriodictiol, Eriodictyol, Erid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:440735 CH$LINK: INCHIKEY SBHXYTNGIZCORC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039812.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039812.txt index 76f933046de..9e49ed36057 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039812.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039812.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039812 -RECORD_TITLE: 3',4',5,7-tetrahydroxyflavanone, Eriodictiol, Eriodictyol, Erid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',4',5,7-tetrahydroxyflavanone, Eriodictiol, Eriodictyol, Erid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:440735 CH$LINK: INCHIKEY SBHXYTNGIZCORC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039901.txt index 3aa5956cf40..aa69ed2d2c1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039901 -RECORD_TITLE: 4-Flavanone, Flva, 2,3-dihydroflavone, 2-Phenylchromanone, 2-Phenylchroman-4-one, Flavanone; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Flavanone, Flva, 2,3-dihydroflavone, 2-Phenylchromanone, 2-Phenylchroman-4-one, Flavanone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:10251 CH$LINK: INCHIKEY ZONYXWQDUYMKFB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039902.txt index c06d06503f1..e08e3743907 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039902 -RECORD_TITLE: 4-Flavanone, Flva, 2,3-dihydroflavone, 2-Phenylchromanone, 2-Phenylchroman-4-one, Flavanone; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Flavanone, Flva, 2,3-dihydroflavone, 2-Phenylchromanone, 2-Phenylchroman-4-one, Flavanone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:10251 CH$LINK: INCHIKEY ZONYXWQDUYMKFB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039903.txt index 8451cd3a2f3..bc527ef8b8a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039903 -RECORD_TITLE: 4-Flavanone, Flva, 2,3-dihydroflavone, 2-Phenylchromanone, 2-Phenylchroman-4-one, Flavanone; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Flavanone, Flva, 2,3-dihydroflavone, 2-Phenylchromanone, 2-Phenylchroman-4-one, Flavanone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:10251 CH$LINK: INCHIKEY ZONYXWQDUYMKFB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039904.txt index 76dd72700fa..13bb0c8fd4b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS039904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS039904 -RECORD_TITLE: 4-Flavanone, Flva, 2,3-dihydroflavone, 2-Phenylchromanone, 2-Phenylchroman-4-one, Flavanone; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Flavanone, Flva, 2,3-dihydroflavone, 2-Phenylchromanone, 2-Phenylchroman-4-one, Flavanone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:10251 CH$LINK: INCHIKEY ZONYXWQDUYMKFB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040001.txt index 09178e450ff..a179fb7fe03 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040001 -RECORD_TITLE: 4',5,7-trihydroxyisoflavone, 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone, Genisterin, Genisteol, Gens, 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Genistein, Sophoricol; LC-ESI-QQ; MS2 +RECORD_TITLE: 4',5,7-trihydroxyisoflavone, 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone, Genisterin, Genisteol, Gens, 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Genistein, Sophoricol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280961 CH$LINK: INCHIKEY TZBJGXHYKVUXJN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002901; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040002.txt index d7be3e7666e..c18c9e789dc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040002 -RECORD_TITLE: 4',5,7-trihydroxyisoflavone, 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone, Genisterin, Genisteol, Gens, 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Genistein, Sophoricol; LC-ESI-QQ; MS2 +RECORD_TITLE: 4',5,7-trihydroxyisoflavone, 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone, Genisterin, Genisteol, Gens, 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Genistein, Sophoricol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280961 CH$LINK: INCHIKEY TZBJGXHYKVUXJN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002901; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040003.txt index 15774324af2..36e4f7a1505 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040003 -RECORD_TITLE: 4',5,7-trihydroxyisoflavone, 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone, Genisterin, Genisteol, Gens, 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Genistein, Sophoricol; LC-ESI-QQ; MS2 +RECORD_TITLE: 4',5,7-trihydroxyisoflavone, 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone, Genisterin, Genisteol, Gens, 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Genistein, Sophoricol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280961 CH$LINK: INCHIKEY TZBJGXHYKVUXJN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002901; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040004.txt index 1a1ea013fc8..770ffc9b365 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040004 -RECORD_TITLE: 4',5,7-trihydroxyisoflavone, 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone, Genisterin, Genisteol, Gens, 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Genistein, Sophoricol; LC-ESI-QQ; MS2 +RECORD_TITLE: 4',5,7-trihydroxyisoflavone, 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4-benzopyrone, Genisterin, Genisteol, Gens, 5,7-Dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Genistein, Sophoricol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280961 CH$LINK: INCHIKEY TZBJGXHYKVUXJN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002901; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflav-2-enes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040101.txt index 79d21a3620a..c3f73337c75 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040101 -RECORD_TITLE: 3,4',5,7-tetrahydroxy-3'-methoxy flavone, Isorhamnetol, Tamarixetin, 3'-O-Methylquercetin, 3'-Methoxy-3,4',5,7-tetrahydroxyflavone, 3'-Methoxyquercetin, Isorhamnetin, 3-Methylquercetin, Isor; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,4',5,7-tetrahydroxy-3'-methoxy flavone, Isorhamnetol, Tamarixetin, 3'-O-Methylquercetin, 3'-Methoxy-3,4',5,7-tetrahydroxyflavone, 3'-Methoxyquercetin, Isorhamnetin, 3-Methylquercetin, Isor; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281654 CH$LINK: INCHIKEY IZQSVPBOUDKVDZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040102.txt index 62635442003..e50aa5c9f26 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040102 -RECORD_TITLE: 3,4',5,7-tetrahydroxy-3'-methoxy flavone, Isorhamnetol, Tamarixetin, 3'-O-Methylquercetin, 3'-Methoxy-3,4',5,7-tetrahydroxyflavone, 3'-Methoxyquercetin, Isorhamnetin, 3-Methylquercetin, Isor; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,4',5,7-tetrahydroxy-3'-methoxy flavone, Isorhamnetol, Tamarixetin, 3'-O-Methylquercetin, 3'-Methoxy-3,4',5,7-tetrahydroxyflavone, 3'-Methoxyquercetin, Isorhamnetin, 3-Methylquercetin, Isor; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281654 CH$LINK: INCHIKEY IZQSVPBOUDKVDZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040103.txt index 3cf3230c7ec..a3472acc195 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040103 -RECORD_TITLE: 3,4',5,7-tetrahydroxy-3'-methoxy flavone, Isorhamnetol, Tamarixetin, 3'-O-Methylquercetin, 3'-Methoxy-3,4',5,7-tetrahydroxyflavone, 3'-Methoxyquercetin, Isorhamnetin, 3-Methylquercetin, Isor; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,4',5,7-tetrahydroxy-3'-methoxy flavone, Isorhamnetol, Tamarixetin, 3'-O-Methylquercetin, 3'-Methoxy-3,4',5,7-tetrahydroxyflavone, 3'-Methoxyquercetin, Isorhamnetin, 3-Methylquercetin, Isor; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281654 CH$LINK: INCHIKEY IZQSVPBOUDKVDZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040107.txt index 6ebd66bc68f..c49f11b3382 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040107 -RECORD_TITLE: 3,4',5,7-tetrahydroxy-3'-methoxy flavone, Isorhamnetol, Tamarixetin, 3'-O-Methylquercetin, 3'-Methoxy-3,4',5,7-tetrahydroxyflavone, 3'-Methoxyquercetin, Isorhamnetin, 3-Methylquercetin, Isor; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,4',5,7-tetrahydroxy-3'-methoxy flavone, Isorhamnetol, Tamarixetin, 3'-O-Methylquercetin, 3'-Methoxy-3,4',5,7-tetrahydroxyflavone, 3'-Methoxyquercetin, Isorhamnetin, 3-Methylquercetin, Isor; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281654 CH$LINK: INCHIKEY IZQSVPBOUDKVDZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040201.txt index 6ea64f2b408..824a53ba4f8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040201 -RECORD_TITLE: Indigo yellow, Popuinetin, 4H-1-Benzopyran-4-one, 5,7,4'-Trihydroxyflavonol, Trifolitin, pelargidenolon, Kaem, Kampherol, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol, nimbecetin, Kaempferol, rhamnolutein, Robigenin, Rhamnolutin, 3,4',5,7-tetrahydroxyflavone, Populnetin, Kempferol, Swartziol; LC-ESI-QQ; MS2 +RECORD_TITLE: Indigo yellow, Popuinetin, 4H-1-Benzopyran-4-one, 5,7,4'-Trihydroxyflavonol, Trifolitin, pelargidenolon, Kaem, Kampherol, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol, nimbecetin, Kaempferol, rhamnolutein, Robigenin, Rhamnolutin, 3,4',5,7-tetrahydroxyflavone, Populnetin, Kempferol, Swartziol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -41,7 +41,7 @@ CH$LINK: PUBCHEM CID:5280863 CH$LINK: INCHIKEY IYRMWMYZSQPJKC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040202.txt index 9c89f35442a..585cc814aa3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040202 -RECORD_TITLE: Indigo yellow, Popuinetin, 4H-1-Benzopyran-4-one, 5,7,4'-Trihydroxyflavonol, Trifolitin, pelargidenolon, Kaem, Kampherol, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol, nimbecetin, Kaempferol, rhamnolutein, Robigenin, Rhamnolutin, 3,4',5,7-tetrahydroxyflavone, Populnetin, Kempferol, Swartziol; LC-ESI-QQ; MS2 +RECORD_TITLE: Indigo yellow, Popuinetin, 4H-1-Benzopyran-4-one, 5,7,4'-Trihydroxyflavonol, Trifolitin, pelargidenolon, Kaem, Kampherol, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol, nimbecetin, Kaempferol, rhamnolutein, Robigenin, Rhamnolutin, 3,4',5,7-tetrahydroxyflavone, Populnetin, Kempferol, Swartziol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -41,7 +41,7 @@ CH$LINK: PUBCHEM CID:5280863 CH$LINK: INCHIKEY IYRMWMYZSQPJKC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040203.txt index ab237a0ff1d..a15c662ce36 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040203 -RECORD_TITLE: Indigo yellow, Popuinetin, 4H-1-Benzopyran-4-one, 5,7,4'-Trihydroxyflavonol, Trifolitin, pelargidenolon, Kaem, Kampherol, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol, nimbecetin, Kaempferol, rhamnolutein, Robigenin, Rhamnolutin, 3,4',5,7-tetrahydroxyflavone, Populnetin, Kempferol, Swartziol; LC-ESI-QQ; MS2 +RECORD_TITLE: Indigo yellow, Popuinetin, 4H-1-Benzopyran-4-one, 5,7,4'-Trihydroxyflavonol, Trifolitin, pelargidenolon, Kaem, Kampherol, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol, nimbecetin, Kaempferol, rhamnolutein, Robigenin, Rhamnolutin, 3,4',5,7-tetrahydroxyflavone, Populnetin, Kempferol, Swartziol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -41,7 +41,7 @@ CH$LINK: PUBCHEM CID:5280863 CH$LINK: INCHIKEY IYRMWMYZSQPJKC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040204.txt index a909ab461ec..310f399c9db 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040204 -RECORD_TITLE: Indigo yellow, Popuinetin, 4H-1-Benzopyran-4-one, 5,7,4'-Trihydroxyflavonol, Trifolitin, pelargidenolon, Kaem, Kampherol, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol, nimbecetin, Kaempferol, rhamnolutein, Robigenin, Rhamnolutin, 3,4',5,7-tetrahydroxyflavone, Populnetin, Kempferol, Swartziol; LC-ESI-QQ; MS2 +RECORD_TITLE: Indigo yellow, Popuinetin, 4H-1-Benzopyran-4-one, 5,7,4'-Trihydroxyflavonol, Trifolitin, pelargidenolon, Kaem, Kampherol, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-5,7,4'-Trihydroxyflavonol, nimbecetin, Kaempferol, rhamnolutein, Robigenin, Rhamnolutin, 3,4',5,7-tetrahydroxyflavone, Populnetin, Kempferol, Swartziol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -41,7 +41,7 @@ CH$LINK: PUBCHEM CID:5280863 CH$LINK: INCHIKEY IYRMWMYZSQPJKC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040301.txt index 04a99a07ffe..82cb42b89a6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040301 -RECORD_TITLE: Kaempferol 4'-methyl ether, 3,5,7-trihydroxy-4'-methoxyflavone, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-, Kaempferid, Kaer, Kaempferide, 4'-O-Methylkaempferol; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol 4'-methyl ether, 3,5,7-trihydroxy-4'-methoxyflavone, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-, Kaempferid, Kaer, Kaempferide, 4'-O-Methylkaempferol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281666 CH$LINK: INCHIKEY SQFSKOYWJBQGKQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040302.txt index 6e7deb64ba7..00994af5e2f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040302 -RECORD_TITLE: Kaempferol 4'-methyl ether, 3,5,7-trihydroxy-4'-methoxyflavone, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-, Kaempferid, Kaer, Kaempferide, 4'-O-Methylkaempferol; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol 4'-methyl ether, 3,5,7-trihydroxy-4'-methoxyflavone, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-, Kaempferid, Kaer, Kaempferide, 4'-O-Methylkaempferol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281666 CH$LINK: INCHIKEY SQFSKOYWJBQGKQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040303.txt index 1654789af3e..ef34c894543 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040303 -RECORD_TITLE: Kaempferol 4'-methyl ether, 3,5,7-trihydroxy-4'-methoxyflavone, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-, Kaempferid, Kaer, Kaempferide, 4'-O-Methylkaempferol; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol 4'-methyl ether, 3,5,7-trihydroxy-4'-methoxyflavone, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-, Kaempferid, Kaer, Kaempferide, 4'-O-Methylkaempferol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281666 CH$LINK: INCHIKEY SQFSKOYWJBQGKQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040304.txt index b8c2c9507c4..3dd4b78b045 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040304 -RECORD_TITLE: Kaempferol 4'-methyl ether, 3,5,7-trihydroxy-4'-methoxyflavone, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-, Kaempferid, Kaer, Kaempferide, 4'-O-Methylkaempferol; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol 4'-methyl ether, 3,5,7-trihydroxy-4'-methoxyflavone, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-, Kaempferid, Kaer, Kaempferide, 4'-O-Methylkaempferol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281666 CH$LINK: INCHIKEY SQFSKOYWJBQGKQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040307.txt index 6e20e9ec567..5095941ccce 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040307 -RECORD_TITLE: Kaempferol 4'-methyl ether, 3,5,7-trihydroxy-4'-methoxyflavone, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-, Kaempferid, Kaer, Kaempferide, 4'-O-Methylkaempferol; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol 4'-methyl ether, 3,5,7-trihydroxy-4'-methoxyflavone, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-, Kaempferid, Kaer, Kaempferide, 4'-O-Methylkaempferol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281666 CH$LINK: INCHIKEY SQFSKOYWJBQGKQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040308.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040308.txt index 46510634d30..c3244caab2d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040308.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040308.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040308 -RECORD_TITLE: Kaempferol 4'-methyl ether, 3,5,7-trihydroxy-4'-methoxyflavone, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-, Kaempferid, Kaer, Kaempferide, 4'-O-Methylkaempferol; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol 4'-methyl ether, 3,5,7-trihydroxy-4'-methoxyflavone, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-, Kaempferid, Kaer, Kaempferide, 4'-O-Methylkaempferol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281666 CH$LINK: INCHIKEY SQFSKOYWJBQGKQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040309.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040309.txt index 86b3b8c878c..aecb38b9587 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040309.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040309.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040309 -RECORD_TITLE: Kaempferol 4'-methyl ether, 3,5,7-trihydroxy-4'-methoxyflavone, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-, Kaempferid, Kaer, Kaempferide, 4'-O-Methylkaempferol; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol 4'-methyl ether, 3,5,7-trihydroxy-4'-methoxyflavone, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-, Kaempferid, Kaer, Kaempferide, 4'-O-Methylkaempferol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281666 CH$LINK: INCHIKEY SQFSKOYWJBQGKQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040310.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040310.txt index f6bc36f03af..f3c8298a5bd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040310.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040310.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040310 -RECORD_TITLE: Kaempferol 4'-methyl ether, 3,5,7-trihydroxy-4'-methoxyflavone, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-, Kaempferid, Kaer, Kaempferide, 4'-O-Methylkaempferol; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol 4'-methyl ether, 3,5,7-trihydroxy-4'-methoxyflavone, 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-, Kaempferid, Kaer, Kaempferide, 4'-O-Methylkaempferol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281666 CH$LINK: INCHIKEY SQFSKOYWJBQGKQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040401.txt index b0721bb6b3d..9525717c8e2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040401 -RECORD_TITLE: Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQ; MS2 +RECORD_TITLE: Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280445 CH$LINK: INCHIKEY IQPNAANSBPBGFQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040402.txt index e6bcf14e458..7b44245029e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040402 -RECORD_TITLE: Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQ; MS2 +RECORD_TITLE: Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280445 CH$LINK: INCHIKEY IQPNAANSBPBGFQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040403.txt index 1e002fabc01..08bd7c7186f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040403 -RECORD_TITLE: Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQ; MS2 +RECORD_TITLE: Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280445 CH$LINK: INCHIKEY IQPNAANSBPBGFQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040404.txt index a433c2e2c3b..7f932864dce 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040404 -RECORD_TITLE: Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQ; MS2 +RECORD_TITLE: Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280445 CH$LINK: INCHIKEY IQPNAANSBPBGFQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040407.txt index a6a3ad75bc3..0624c7a1c0e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040407 -RECORD_TITLE: Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQ; MS2 +RECORD_TITLE: Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280445 CH$LINK: INCHIKEY IQPNAANSBPBGFQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040408.txt index 85266ab4eca..8a217af9b2a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040408 -RECORD_TITLE: Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQ; MS2 +RECORD_TITLE: Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280445 CH$LINK: INCHIKEY IQPNAANSBPBGFQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040409.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040409.txt index 3803fcfab98..445962b39a7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040409.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040409 -RECORD_TITLE: Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQ; MS2 +RECORD_TITLE: Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280445 CH$LINK: INCHIKEY IQPNAANSBPBGFQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040410.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040410.txt index 5c10f839413..0fd740f9ece 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040410.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040410.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040410 -RECORD_TITLE: Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQ; MS2 +RECORD_TITLE: Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280445 CH$LINK: INCHIKEY IQPNAANSBPBGFQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040411.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040411.txt index 5383a6adb16..364c92d8063 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040411.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040411.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040411 -RECORD_TITLE: Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQ; MS2 +RECORD_TITLE: Flacitran, Weld Lake, Lutl, Digitoflavone, 3',4',5,7-tetrahydroxyflavone, Yama kariyasu, Luteolin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-, Cyanidenon 1470, Luteolol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280445 CH$LINK: INCHIKEY IQPNAANSBPBGFQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040601.txt index ac26c23ea92..0d70624ba27 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040601 -RECORD_TITLE: Myricetin, Cannabiscetin, Myrc, Myricitin, 3,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, ,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, Delphidenolon, 3,3',4',5,5',7-hexahydroxyflavone, Myricetol; LC-ESI-QQ; MS2 +RECORD_TITLE: Myricetin, Cannabiscetin, Myrc, Myricitin, 3,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, ,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, Delphidenolon, 3,3',4',5,5',7-hexahydroxyflavone, Myricetol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281672 CH$LINK: INCHIKEY IKMDFBPHZNJCSN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040602.txt index 4d7a6aa5df1..3c1010445f2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040602 -RECORD_TITLE: Myricetin, Cannabiscetin, Myrc, Myricitin, 3,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, ,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, Delphidenolon, 3,3',4',5,5',7-hexahydroxyflavone, Myricetol; LC-ESI-QQ; MS2 +RECORD_TITLE: Myricetin, Cannabiscetin, Myrc, Myricitin, 3,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, ,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, Delphidenolon, 3,3',4',5,5',7-hexahydroxyflavone, Myricetol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281672 CH$LINK: INCHIKEY IKMDFBPHZNJCSN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040603.txt index f2c49ca7920..ebbc957f747 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040603 -RECORD_TITLE: Myricetin, Cannabiscetin, Myrc, Myricitin, 3,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, ,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, Delphidenolon, 3,3',4',5,5',7-hexahydroxyflavone, Myricetol; LC-ESI-QQ; MS2 +RECORD_TITLE: Myricetin, Cannabiscetin, Myrc, Myricitin, 3,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, ,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, Delphidenolon, 3,3',4',5,5',7-hexahydroxyflavone, Myricetol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281672 CH$LINK: INCHIKEY IKMDFBPHZNJCSN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040604.txt index 1aae9d6a10d..a1503caeb88 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040604 -RECORD_TITLE: Myricetin, Cannabiscetin, Myrc, Myricitin, 3,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, ,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, Delphidenolon, 3,3',4',5,5',7-hexahydroxyflavone, Myricetol; LC-ESI-QQ; MS2 +RECORD_TITLE: Myricetin, Cannabiscetin, Myrc, Myricitin, 3,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, ,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, Delphidenolon, 3,3',4',5,5',7-hexahydroxyflavone, Myricetol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281672 CH$LINK: INCHIKEY IKMDFBPHZNJCSN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040607.txt index e7ecfd830a8..4307a2cc358 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040607 -RECORD_TITLE: Myricetin, Cannabiscetin, Myrc, Myricitin, 3,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, ,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, Delphidenolon, 3,3',4',5,5',7-hexahydroxyflavone, Myricetol; LC-ESI-QQ; MS2 +RECORD_TITLE: Myricetin, Cannabiscetin, Myrc, Myricitin, 3,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, ,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, Delphidenolon, 3,3',4',5,5',7-hexahydroxyflavone, Myricetol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281672 CH$LINK: INCHIKEY IKMDFBPHZNJCSN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040608.txt index 0f6ebe7b569..09d3b65b094 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040608 -RECORD_TITLE: Myricetin, Cannabiscetin, Myrc, Myricitin, 3,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, ,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, Delphidenolon, 3,3',4',5,5',7-hexahydroxyflavone, Myricetol; LC-ESI-QQ; MS2 +RECORD_TITLE: Myricetin, Cannabiscetin, Myrc, Myricitin, 3,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, ,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, Delphidenolon, 3,3',4',5,5',7-hexahydroxyflavone, Myricetol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281672 CH$LINK: INCHIKEY IKMDFBPHZNJCSN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040609.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040609.txt index f64cca218b5..2256c5f567f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040609.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040609.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040609 -RECORD_TITLE: Myricetin, Cannabiscetin, Myrc, Myricitin, 3,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, ,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, Delphidenolon, 3,3',4',5,5',7-hexahydroxyflavone, Myricetol; LC-ESI-QQ; MS2 +RECORD_TITLE: Myricetin, Cannabiscetin, Myrc, Myricitin, 3,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, ,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, Delphidenolon, 3,3',4',5,5',7-hexahydroxyflavone, Myricetol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281672 CH$LINK: INCHIKEY IKMDFBPHZNJCSN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040610.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040610.txt index 167951e6e58..8f938fe71aa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040610.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040610.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040610 -RECORD_TITLE: Myricetin, Cannabiscetin, Myrc, Myricitin, 3,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, ,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, Delphidenolon, 3,3',4',5,5',7-hexahydroxyflavone, Myricetol; LC-ESI-QQ; MS2 +RECORD_TITLE: Myricetin, Cannabiscetin, Myrc, Myricitin, 3,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, ,3',4,4',5',7-hexahydro-2-phenyl-4H-chromen-4-one, Delphidenolon, 3,3',4',5,5',7-hexahydroxyflavone, Myricetol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281672 CH$LINK: INCHIKEY IKMDFBPHZNJCSN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040701.txt index bae1cf89e1a..efe1b31d629 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040701 -RECORD_TITLE: Naringenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Naringenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:439246 CH$LINK: INCHIKEY FTVWIRXFELQLPI-ZDUSSCGKSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040702.txt index 30007af11d1..211b9cd09be 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040702 -RECORD_TITLE: Naringenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Naringenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:439246 CH$LINK: INCHIKEY FTVWIRXFELQLPI-ZDUSSCGKSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040703.txt index 41e9a1d7e2d..2330fa472b3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040703 -RECORD_TITLE: Naringenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Naringenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:439246 CH$LINK: INCHIKEY FTVWIRXFELQLPI-ZDUSSCGKSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040704.txt index 5860cac1007..c835f93afc2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040704 -RECORD_TITLE: Naringenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Naringenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:439246 CH$LINK: INCHIKEY FTVWIRXFELQLPI-ZDUSSCGKSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040705.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040705.txt index e347ec77298..3c8c436883b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040705.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040705 -RECORD_TITLE: Naringenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Naringenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:439246 CH$LINK: INCHIKEY FTVWIRXFELQLPI-ZDUSSCGKSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040707.txt index ddb866de454..89239808763 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040707 -RECORD_TITLE: Naringenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Naringenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:439246 CH$LINK: INCHIKEY FTVWIRXFELQLPI-ZDUSSCGKSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040708.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040708.txt index 918679cee4e..07f71510270 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040708.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040708 -RECORD_TITLE: Naringenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Naringenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:439246 CH$LINK: INCHIKEY FTVWIRXFELQLPI-ZDUSSCGKSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040709.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040709.txt index b418b005072..c7fb9266c33 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040709.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040709.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040709 -RECORD_TITLE: Naringenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Naringenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:439246 CH$LINK: INCHIKEY FTVWIRXFELQLPI-ZDUSSCGKSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040710.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040710.txt index e3d39b5e92a..8a1bf0c367e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040710.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040710.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040710 -RECORD_TITLE: Naringenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Naringenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:439246 CH$LINK: INCHIKEY FTVWIRXFELQLPI-ZDUSSCGKSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040711.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040711.txt index 4a3f0d1b166..e6b239cc139 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040711.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040711.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040711 -RECORD_TITLE: Naringenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Naringenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:439246 CH$LINK: INCHIKEY FTVWIRXFELQLPI-ZDUSSCGKSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040901.txt index 2a9ce475bdf..2658cae9bad 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040901 -RECORD_TITLE: Meletin, Quercitin, Quertine, Quercetol, Quercetin, Kvercetin, Quer, Flavin meletin, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 3,3',4',5,7-pentahydroxyflavone, Quercetine, Xanthaurine, Sophoretin, 3',4',5,7-Tetrahydroxyflavan-3-ol; LC-ESI-QQ; MS2 +RECORD_TITLE: Meletin, Quercitin, Quertine, Quercetol, Quercetin, Kvercetin, Quer, Flavin meletin, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 3,3',4',5,7-pentahydroxyflavone, Quercetine, Xanthaurine, Sophoretin, 3',4',5,7-Tetrahydroxyflavan-3-ol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -37,7 +37,7 @@ CH$LINK: PUBCHEM CID:5280343 CH$LINK: INCHIKEY REFJWTPEDVJJIY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040902.txt index 98d2efa9387..bbe769a15df 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040902 -RECORD_TITLE: Meletin, Quercitin, Quertine, Quercetol, Quercetin, Kvercetin, Quer, Flavin meletin, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 3,3',4',5,7-pentahydroxyflavone, Quercetine, Xanthaurine, Sophoretin, 3',4',5,7-Tetrahydroxyflavan-3-ol; LC-ESI-QQ; MS2 +RECORD_TITLE: Meletin, Quercitin, Quertine, Quercetol, Quercetin, Kvercetin, Quer, Flavin meletin, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 3,3',4',5,7-pentahydroxyflavone, Quercetine, Xanthaurine, Sophoretin, 3',4',5,7-Tetrahydroxyflavan-3-ol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -37,7 +37,7 @@ CH$LINK: PUBCHEM CID:5280343 CH$LINK: INCHIKEY REFJWTPEDVJJIY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040903.txt index 0fa36f96be8..9adbf7f3aaa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040903 -RECORD_TITLE: Meletin, Quercitin, Quertine, Quercetol, Quercetin, Kvercetin, Quer, Flavin meletin, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 3,3',4',5,7-pentahydroxyflavone, Quercetine, Xanthaurine, Sophoretin, 3',4',5,7-Tetrahydroxyflavan-3-ol; LC-ESI-QQ; MS2 +RECORD_TITLE: Meletin, Quercitin, Quertine, Quercetol, Quercetin, Kvercetin, Quer, Flavin meletin, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 3,3',4',5,7-pentahydroxyflavone, Quercetine, Xanthaurine, Sophoretin, 3',4',5,7-Tetrahydroxyflavan-3-ol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -37,7 +37,7 @@ CH$LINK: PUBCHEM CID:5280343 CH$LINK: INCHIKEY REFJWTPEDVJJIY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040907.txt index a069b360783..d7f79e56a41 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040907 -RECORD_TITLE: Meletin, Quercitin, Quertine, Quercetol, Quercetin, Kvercetin, Quer, Flavin meletin, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 3,3',4',5,7-pentahydroxyflavone, Quercetine, Xanthaurine, Sophoretin, 3',4',5,7-Tetrahydroxyflavan-3-ol; LC-ESI-QQ; MS2 +RECORD_TITLE: Meletin, Quercitin, Quertine, Quercetol, Quercetin, Kvercetin, Quer, Flavin meletin, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 3,3',4',5,7-pentahydroxyflavone, Quercetine, Xanthaurine, Sophoretin, 3',4',5,7-Tetrahydroxyflavan-3-ol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -37,7 +37,7 @@ CH$LINK: PUBCHEM CID:5280343 CH$LINK: INCHIKEY REFJWTPEDVJJIY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040908.txt index d0b9fe2c1e6..cfeaa79bb2c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS040908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS040908 -RECORD_TITLE: Meletin, Quercitin, Quertine, Quercetol, Quercetin, Kvercetin, Quer, Flavin meletin, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 3,3',4',5,7-pentahydroxyflavone, Quercetine, Xanthaurine, Sophoretin, 3',4',5,7-Tetrahydroxyflavan-3-ol; LC-ESI-QQ; MS2 +RECORD_TITLE: Meletin, Quercitin, Quertine, Quercetol, Quercetin, Kvercetin, Quer, Flavin meletin, 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 3,3',4',5,7-pentahydroxyflavone, Quercetine, Xanthaurine, Sophoretin, 3',4',5,7-Tetrahydroxyflavan-3-ol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -37,7 +37,7 @@ CH$LINK: PUBCHEM CID:5280343 CH$LINK: INCHIKEY REFJWTPEDVJJIY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041001.txt index c65fd125bc2..f6b2f63ab92 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041001 -RECORD_TITLE: beta-Rhamnocitrin, Quercetin 7-methyl ether, Ramn, 7-Methoxyquercetin, 7-methylquercetin, Rhamnetin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-, 3,3',4',5-tetrahydroxy-7-methoxyflavone; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Rhamnocitrin, Quercetin 7-methyl ether, Ramn, 7-Methoxyquercetin, 7-methylquercetin, Rhamnetin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-, 3,3',4',5-tetrahydroxy-7-methoxyflavone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5281691 CH$LINK: INCHIKEY JGUZGNYPMHHYRK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041002.txt index 819189fafb9..2133e0e86c3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041002 -RECORD_TITLE: beta-Rhamnocitrin, Quercetin 7-methyl ether, Ramn, 7-Methoxyquercetin, 7-methylquercetin, Rhamnetin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-, 3,3',4',5-tetrahydroxy-7-methoxyflavone; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Rhamnocitrin, Quercetin 7-methyl ether, Ramn, 7-Methoxyquercetin, 7-methylquercetin, Rhamnetin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-, 3,3',4',5-tetrahydroxy-7-methoxyflavone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5281691 CH$LINK: INCHIKEY JGUZGNYPMHHYRK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041003.txt index 91deeff14fd..cee713b1d73 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041003 -RECORD_TITLE: beta-Rhamnocitrin, Quercetin 7-methyl ether, Ramn, 7-Methoxyquercetin, 7-methylquercetin, Rhamnetin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-, 3,3',4',5-tetrahydroxy-7-methoxyflavone; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Rhamnocitrin, Quercetin 7-methyl ether, Ramn, 7-Methoxyquercetin, 7-methylquercetin, Rhamnetin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-, 3,3',4',5-tetrahydroxy-7-methoxyflavone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5281691 CH$LINK: INCHIKEY JGUZGNYPMHHYRK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041007.txt index 76409ff02c8..2687be03054 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041007 -RECORD_TITLE: beta-Rhamnocitrin, Quercetin 7-methyl ether, Ramn, 7-Methoxyquercetin, 7-methylquercetin, Rhamnetin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-, 3,3',4',5-tetrahydroxy-7-methoxyflavone; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Rhamnocitrin, Quercetin 7-methyl ether, Ramn, 7-Methoxyquercetin, 7-methylquercetin, Rhamnetin, 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-, 3,3',4',5-tetrahydroxy-7-methoxyflavone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5281691 CH$LINK: INCHIKEY JGUZGNYPMHHYRK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001615; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041107.txt index 2cd0cf374fa..f7b751ab2ed 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041107 -RECORD_TITLE: 2-propenyl glucosinolate, Allyl glucosinolate, (2R,3R,4S,5R,6S)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-(C-prop-2-enyl-N-sulfooxy-carbonimidoyl)sulfanyl-oxane, sinigrin , Sinigroside, SIG, 1-(beta-D-glucopyranosylthio)but-3-enylideneaminooxysulphonate, Myronate; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-propenyl glucosinolate, Allyl glucosinolate, (2R,3R,4S,5R,6S)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-(C-prop-2-enyl-N-sulfooxy-carbonimidoyl)sulfanyl-oxane, sinigrin , Sinigroside, SIG, 1-(beta-D-glucopyranosylthio)but-3-enylideneaminooxysulphonate, Myronate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:6911854 CH$LINK: INCHIKEY PHZOWSSBXJXFOR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041108.txt index b1ced855bb4..b0fdc0a4509 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041108 -RECORD_TITLE: 2-propenyl glucosinolate, Allyl glucosinolate, (2R,3R,4S,5R,6S)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-(C-prop-2-enyl-N-sulfooxy-carbonimidoyl)sulfanyl-oxane, sinigrin , Sinigroside, SIG, 1-(beta-D-glucopyranosylthio)but-3-enylideneaminooxysulphonate, Myronate; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-propenyl glucosinolate, Allyl glucosinolate, (2R,3R,4S,5R,6S)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-(C-prop-2-enyl-N-sulfooxy-carbonimidoyl)sulfanyl-oxane, sinigrin , Sinigroside, SIG, 1-(beta-D-glucopyranosylthio)but-3-enylideneaminooxysulphonate, Myronate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:6911854 CH$LINK: INCHIKEY PHZOWSSBXJXFOR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041110.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041110.txt index 167589cf042..e24440976a0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041110.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041110.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041110 -RECORD_TITLE: 2-propenyl glucosinolate, Allyl glucosinolate, (2R,3R,4S,5R,6S)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-(C-prop-2-enyl-N-sulfooxy-carbonimidoyl)sulfanyl-oxane, sinigrin , Sinigroside, SIG, 1-(beta-D-glucopyranosylthio)but-3-enylideneaminooxysulphonate, Myronate; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-propenyl glucosinolate, Allyl glucosinolate, (2R,3R,4S,5R,6S)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-(C-prop-2-enyl-N-sulfooxy-carbonimidoyl)sulfanyl-oxane, sinigrin , Sinigroside, SIG, 1-(beta-D-glucopyranosylthio)but-3-enylideneaminooxysulphonate, Myronate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:6911854 CH$LINK: INCHIKEY PHZOWSSBXJXFOR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041111.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041111.txt index 0617bc6f2d4..9dad075290e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041111.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041111.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041111 -RECORD_TITLE: 2-propenyl glucosinolate, Allyl glucosinolate, (2R,3R,4S,5R,6S)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-(C-prop-2-enyl-N-sulfooxy-carbonimidoyl)sulfanyl-oxane, sinigrin , Sinigroside, SIG, 1-(beta-D-glucopyranosylthio)but-3-enylideneaminooxysulphonate, Myronate; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-propenyl glucosinolate, Allyl glucosinolate, (2R,3R,4S,5R,6S)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-(C-prop-2-enyl-N-sulfooxy-carbonimidoyl)sulfanyl-oxane, sinigrin , Sinigroside, SIG, 1-(beta-D-glucopyranosylthio)but-3-enylideneaminooxysulphonate, Myronate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:6911854 CH$LINK: INCHIKEY PHZOWSSBXJXFOR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041112.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041112.txt index ea85587d20a..6eb128e4471 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041112.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041112.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041112 -RECORD_TITLE: 2-propenyl glucosinolate, Allyl glucosinolate, (2R,3R,4S,5R,6S)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-(C-prop-2-enyl-N-sulfooxy-carbonimidoyl)sulfanyl-oxane, sinigrin , Sinigroside, SIG, 1-(beta-D-glucopyranosylthio)but-3-enylideneaminooxysulphonate, Myronate; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-propenyl glucosinolate, Allyl glucosinolate, (2R,3R,4S,5R,6S)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-(C-prop-2-enyl-N-sulfooxy-carbonimidoyl)sulfanyl-oxane, sinigrin , Sinigroside, SIG, 1-(beta-D-glucopyranosylthio)but-3-enylideneaminooxysulphonate, Myronate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:6911854 CH$LINK: INCHIKEY PHZOWSSBXJXFOR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041301.txt index 39f6e76e782..1e87fb27a0e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041301 -RECORD_TITLE: Cossmetin, Apig-7-Glc, apigenin-7-O-glucoside, Apigenin 7-O-beta-D-glucopyranoside, Cosmosiine, Cosmosioside, Apigetrin, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; LC-ESI-QQ; MS2 +RECORD_TITLE: Cossmetin, Apig-7-Glc, apigenin-7-O-glucoside, Apigenin 7-O-beta-D-glucopyranoside, Cosmosiine, Cosmosioside, Apigetrin, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280704 CH$LINK: INCHIKEY KMOUJOKENFFTPU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041302.txt index 74621e8a609..779a225226c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041302 -RECORD_TITLE: Cossmetin, Apig-7-Glc, apigenin-7-O-glucoside, Apigenin 7-O-beta-D-glucopyranoside, Cosmosiine, Cosmosioside, Apigetrin, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; LC-ESI-QQ; MS2 +RECORD_TITLE: Cossmetin, Apig-7-Glc, apigenin-7-O-glucoside, Apigenin 7-O-beta-D-glucopyranoside, Cosmosiine, Cosmosioside, Apigetrin, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280704 CH$LINK: INCHIKEY KMOUJOKENFFTPU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041303.txt index 8cf549e9f77..6d43a2faefa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041303 -RECORD_TITLE: Cossmetin, Apig-7-Glc, apigenin-7-O-glucoside, Apigenin 7-O-beta-D-glucopyranoside, Cosmosiine, Cosmosioside, Apigetrin, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; LC-ESI-QQ; MS2 +RECORD_TITLE: Cossmetin, Apig-7-Glc, apigenin-7-O-glucoside, Apigenin 7-O-beta-D-glucopyranoside, Cosmosiine, Cosmosioside, Apigetrin, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280704 CH$LINK: INCHIKEY KMOUJOKENFFTPU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041304.txt index 1cc88ce7353..81f2d5f2557 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041304 -RECORD_TITLE: Cossmetin, Apig-7-Glc, apigenin-7-O-glucoside, Apigenin 7-O-beta-D-glucopyranoside, Cosmosiine, Cosmosioside, Apigetrin, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; LC-ESI-QQ; MS2 +RECORD_TITLE: Cossmetin, Apig-7-Glc, apigenin-7-O-glucoside, Apigenin 7-O-beta-D-glucopyranoside, Cosmosiine, Cosmosioside, Apigetrin, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280704 CH$LINK: INCHIKEY KMOUJOKENFFTPU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041305.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041305.txt index 789984b38b8..dc6cd7029d8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041305.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041305 -RECORD_TITLE: Cossmetin, Apig-7-Glc, apigenin-7-O-glucoside, Apigenin 7-O-beta-D-glucopyranoside, Cosmosiine, Cosmosioside, Apigetrin, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; LC-ESI-QQ; MS2 +RECORD_TITLE: Cossmetin, Apig-7-Glc, apigenin-7-O-glucoside, Apigenin 7-O-beta-D-glucopyranoside, Cosmosiine, Cosmosioside, Apigetrin, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280704 CH$LINK: INCHIKEY KMOUJOKENFFTPU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041306.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041306.txt index c2702d74458..63fd5362260 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041306.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041306.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041306 -RECORD_TITLE: Cossmetin, Apig-7-Glc, apigenin-7-O-glucoside, Apigenin 7-O-beta-D-glucopyranoside, Cosmosiine, Cosmosioside, Apigetrin, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; LC-ESI-QQ; MS2 +RECORD_TITLE: Cossmetin, Apig-7-Glc, apigenin-7-O-glucoside, Apigenin 7-O-beta-D-glucopyranoside, Cosmosiine, Cosmosioside, Apigetrin, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280704 CH$LINK: INCHIKEY KMOUJOKENFFTPU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041307.txt index 00a456a8fe3..b2a7d7d5e90 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041307 -RECORD_TITLE: Cossmetin, Apig-7-Glc, apigenin-7-O-glucoside, Apigenin 7-O-beta-D-glucopyranoside, Cosmosiine, Cosmosioside, Apigetrin, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; LC-ESI-QQ; MS2 +RECORD_TITLE: Cossmetin, Apig-7-Glc, apigenin-7-O-glucoside, Apigenin 7-O-beta-D-glucopyranoside, Cosmosiine, Cosmosioside, Apigetrin, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280704 CH$LINK: INCHIKEY KMOUJOKENFFTPU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041308.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041308.txt index 2742ec41e77..6d8d25f2428 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041308.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041308.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041308 -RECORD_TITLE: Cossmetin, Apig-7-Glc, apigenin-7-O-glucoside, Apigenin 7-O-beta-D-glucopyranoside, Cosmosiine, Cosmosioside, Apigetrin, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; LC-ESI-QQ; MS2 +RECORD_TITLE: Cossmetin, Apig-7-Glc, apigenin-7-O-glucoside, Apigenin 7-O-beta-D-glucopyranoside, Cosmosiine, Cosmosioside, Apigetrin, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280704 CH$LINK: INCHIKEY KMOUJOKENFFTPU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041309.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041309.txt index 0ba286856b7..c97414839aa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041309.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041309.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041309 -RECORD_TITLE: Cossmetin, Apig-7-Glc, apigenin-7-O-glucoside, Apigenin 7-O-beta-D-glucopyranoside, Cosmosiine, Cosmosioside, Apigetrin, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; LC-ESI-QQ; MS2 +RECORD_TITLE: Cossmetin, Apig-7-Glc, apigenin-7-O-glucoside, Apigenin 7-O-beta-D-glucopyranoside, Cosmosiine, Cosmosioside, Apigetrin, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280704 CH$LINK: INCHIKEY KMOUJOKENFFTPU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041310.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041310.txt index 69553bb61ef..624f5be18b3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041310.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041310.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041310 -RECORD_TITLE: Cossmetin, Apig-7-Glc, apigenin-7-O-glucoside, Apigenin 7-O-beta-D-glucopyranoside, Cosmosiine, Cosmosioside, Apigetrin, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; LC-ESI-QQ; MS2 +RECORD_TITLE: Cossmetin, Apig-7-Glc, apigenin-7-O-glucoside, Apigenin 7-O-beta-D-glucopyranoside, Cosmosiine, Cosmosioside, Apigetrin, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280704 CH$LINK: INCHIKEY KMOUJOKENFFTPU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041311.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041311.txt index 8d2f80140e6..87616405031 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041311.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041311.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041311 -RECORD_TITLE: Cossmetin, Apig-7-Glc, apigenin-7-O-glucoside, Apigenin 7-O-beta-D-glucopyranoside, Cosmosiine, Cosmosioside, Apigetrin, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; LC-ESI-QQ; MS2 +RECORD_TITLE: Cossmetin, Apig-7-Glc, apigenin-7-O-glucoside, Apigenin 7-O-beta-D-glucopyranoside, Cosmosiine, Cosmosioside, Apigetrin, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280704 CH$LINK: INCHIKEY KMOUJOKENFFTPU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041312.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041312.txt index 2179282b32b..0fa2ded7fa8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041312.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041312.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041312 -RECORD_TITLE: Cossmetin, Apig-7-Glc, apigenin-7-O-glucoside, Apigenin 7-O-beta-D-glucopyranoside, Cosmosiine, Cosmosioside, Apigetrin, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; LC-ESI-QQ; MS2 +RECORD_TITLE: Cossmetin, Apig-7-Glc, apigenin-7-O-glucoside, Apigenin 7-O-beta-D-glucopyranoside, Cosmosiine, Cosmosioside, Apigetrin, 7-(beta-D-Glucopyranosyloxy)-5-hydroxy-2-(4-hydroxy-beta-D-phenyl)-4H-1-benzopyran-4-one, 7-O-beta-D-Glucosyl-5,7,4'-trihydroxyflavone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280704 CH$LINK: INCHIKEY KMOUJOKENFFTPU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041401.txt index 32b5f728776..e7f9729f478 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041401 -RECORD_TITLE: Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5282150 CH$LINK: INCHIKEY RPMNUQRUHXIGHK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041402.txt index d149fa73989..25203e7278f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041402 -RECORD_TITLE: Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5282150 CH$LINK: INCHIKEY RPMNUQRUHXIGHK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041403.txt index 2bdccb15803..9430bf79010 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041403 -RECORD_TITLE: Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5282150 CH$LINK: INCHIKEY RPMNUQRUHXIGHK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041404.txt index 58d73b6743c..93302809130 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041404 -RECORD_TITLE: Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5282150 CH$LINK: INCHIKEY RPMNUQRUHXIGHK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041405.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041405.txt index 17a098eaa05..260e34e01b7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041405.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041405 -RECORD_TITLE: Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5282150 CH$LINK: INCHIKEY RPMNUQRUHXIGHK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041406.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041406.txt index 79ce3b65cee..49ac0f88ea6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041406.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041406.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041406 -RECORD_TITLE: Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5282150 CH$LINK: INCHIKEY RPMNUQRUHXIGHK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041407.txt index 91d129c8c9f..0336d1abd5a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041407 -RECORD_TITLE: Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5282150 CH$LINK: INCHIKEY RPMNUQRUHXIGHK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041408.txt index 84ac7787236..e04d2dca076 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041408 -RECORD_TITLE: Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5282150 CH$LINK: INCHIKEY RPMNUQRUHXIGHK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041409.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041409.txt index 0af6590ec3a..7fdbdfea8b2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041409.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041409 -RECORD_TITLE: Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5282150 CH$LINK: INCHIKEY RPMNUQRUHXIGHK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041410.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041410.txt index 6450b489273..dbd2d281816 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041410.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041410.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041410 -RECORD_TITLE: Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5282150 CH$LINK: INCHIKEY RPMNUQRUHXIGHK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041411.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041411.txt index 7eb03226092..e1b141d5f27 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041411.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041411.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041411 -RECORD_TITLE: Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5282150 CH$LINK: INCHIKEY RPMNUQRUHXIGHK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041412.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041412.txt index 94bc921a9c2..d866711913a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041412.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041412.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041412 -RECORD_TITLE: Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Rhoifolin, 7-((2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-benzopyran-4-one, Apig-7-Glc-2pp-Man, Rhoifoloside, apigenin-7-O-neohesperidoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5282150 CH$LINK: INCHIKEY RPMNUQRUHXIGHK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041501.txt index d7364d00cf7..ecc7bbed9d3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041501 -RECORD_TITLE: Baic-7-GlcA, Baicalin, baicalein-7-O-glucuronide, Baicalein 7beta-D-Glucopyranosiduronate; LC-ESI-QQ; MS2 +RECORD_TITLE: Baic-7-GlcA, Baicalin, baicalein-7-O-glucuronide, Baicalein 7beta-D-Glucopyranosiduronate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:64982 CH$LINK: INCHIKEY IKIIZLYTISPENI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041502.txt index c8243e0c781..f9444660379 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041502 -RECORD_TITLE: Baic-7-GlcA, Baicalin, baicalein-7-O-glucuronide, Baicalein 7beta-D-Glucopyranosiduronate; LC-ESI-QQ; MS2 +RECORD_TITLE: Baic-7-GlcA, Baicalin, baicalein-7-O-glucuronide, Baicalein 7beta-D-Glucopyranosiduronate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:64982 CH$LINK: INCHIKEY IKIIZLYTISPENI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041503.txt index b21fdb04cde..76204e218b1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041503 -RECORD_TITLE: Baic-7-GlcA, Baicalin, baicalein-7-O-glucuronide, Baicalein 7beta-D-Glucopyranosiduronate; LC-ESI-QQ; MS2 +RECORD_TITLE: Baic-7-GlcA, Baicalin, baicalein-7-O-glucuronide, Baicalein 7beta-D-Glucopyranosiduronate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:64982 CH$LINK: INCHIKEY IKIIZLYTISPENI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041504.txt index 6dc7dbf28a8..feda7f5b8d3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041504 -RECORD_TITLE: Baic-7-GlcA, Baicalin, baicalein-7-O-glucuronide, Baicalein 7beta-D-Glucopyranosiduronate; LC-ESI-QQ; MS2 +RECORD_TITLE: Baic-7-GlcA, Baicalin, baicalein-7-O-glucuronide, Baicalein 7beta-D-Glucopyranosiduronate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:64982 CH$LINK: INCHIKEY IKIIZLYTISPENI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041505.txt index d47e125c0aa..ba7457629e2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041505 -RECORD_TITLE: Baic-7-GlcA, Baicalin, baicalein-7-O-glucuronide, Baicalein 7beta-D-Glucopyranosiduronate; LC-ESI-QQ; MS2 +RECORD_TITLE: Baic-7-GlcA, Baicalin, baicalein-7-O-glucuronide, Baicalein 7beta-D-Glucopyranosiduronate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:64982 CH$LINK: INCHIKEY IKIIZLYTISPENI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041506.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041506.txt index b9f3df63c95..e45ef351bc4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041506.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041506 -RECORD_TITLE: Baic-7-GlcA, Baicalin, baicalein-7-O-glucuronide, Baicalein 7beta-D-Glucopyranosiduronate; LC-ESI-QQ; MS2 +RECORD_TITLE: Baic-7-GlcA, Baicalin, baicalein-7-O-glucuronide, Baicalein 7beta-D-Glucopyranosiduronate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:64982 CH$LINK: INCHIKEY IKIIZLYTISPENI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041507.txt index a7fe098a625..d6d2ce2473e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041507 -RECORD_TITLE: Baic-7-GlcA, Baicalin, baicalein-7-O-glucuronide, Baicalein 7beta-D-Glucopyranosiduronate; LC-ESI-QQ; MS2 +RECORD_TITLE: Baic-7-GlcA, Baicalin, baicalein-7-O-glucuronide, Baicalein 7beta-D-Glucopyranosiduronate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:64982 CH$LINK: INCHIKEY IKIIZLYTISPENI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041508.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041508.txt index 091ddb8631c..a66a674c3a5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041508.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041508 -RECORD_TITLE: Baic-7-GlcA, Baicalin, baicalein-7-O-glucuronide, Baicalein 7beta-D-Glucopyranosiduronate; LC-ESI-QQ; MS2 +RECORD_TITLE: Baic-7-GlcA, Baicalin, baicalein-7-O-glucuronide, Baicalein 7beta-D-Glucopyranosiduronate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:64982 CH$LINK: INCHIKEY IKIIZLYTISPENI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041509.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041509.txt index 297db17acdc..a273d3ebba6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041509.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041509.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041509 -RECORD_TITLE: Baic-7-GlcA, Baicalin, baicalein-7-O-glucuronide, Baicalein 7beta-D-Glucopyranosiduronate; LC-ESI-QQ; MS2 +RECORD_TITLE: Baic-7-GlcA, Baicalin, baicalein-7-O-glucuronide, Baicalein 7beta-D-Glucopyranosiduronate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:64982 CH$LINK: INCHIKEY IKIIZLYTISPENI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041510.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041510.txt index 6ee2c084626..cb4096d5bc0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041510.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041510.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041510 -RECORD_TITLE: Baic-7-GlcA, Baicalin, baicalein-7-O-glucuronide, Baicalein 7beta-D-Glucopyranosiduronate; LC-ESI-QQ; MS2 +RECORD_TITLE: Baic-7-GlcA, Baicalin, baicalein-7-O-glucuronide, Baicalein 7beta-D-Glucopyranosiduronate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:64982 CH$LINK: INCHIKEY IKIIZLYTISPENI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041511.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041511.txt index 895dcae4a3b..929480e2fc2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041511.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041511.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041511 -RECORD_TITLE: Baic-7-GlcA, Baicalin, baicalein-7-O-glucuronide, Baicalein 7beta-D-Glucopyranosiduronate; LC-ESI-QQ; MS2 +RECORD_TITLE: Baic-7-GlcA, Baicalin, baicalein-7-O-glucuronide, Baicalein 7beta-D-Glucopyranosiduronate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:64982 CH$LINK: INCHIKEY IKIIZLYTISPENI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041801.txt index 2224919938f..dde151a0d4a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041801 -RECORD_TITLE: Erid-7-Glc, Miscanthoside, Pyracanthoside, ((S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one, eriodictyol-7-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Erid-7-Glc, Miscanthoside, Pyracanthoside, ((S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one, eriodictyol-7-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5319853 CH$LINK: INCHIKEY RAFHNDRXYHOLSH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041802.txt index 2e889ad9741..453ee44ad19 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041802 -RECORD_TITLE: Erid-7-Glc, Miscanthoside, Pyracanthoside, ((S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one, eriodictyol-7-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Erid-7-Glc, Miscanthoside, Pyracanthoside, ((S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one, eriodictyol-7-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5319853 CH$LINK: INCHIKEY RAFHNDRXYHOLSH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041803.txt index d442b098ff9..e90b1da5d43 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041803 -RECORD_TITLE: Erid-7-Glc, Miscanthoside, Pyracanthoside, ((S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one, eriodictyol-7-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Erid-7-Glc, Miscanthoside, Pyracanthoside, ((S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one, eriodictyol-7-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5319853 CH$LINK: INCHIKEY RAFHNDRXYHOLSH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041804.txt index b9b1d27d4fb..6764de77922 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041804 -RECORD_TITLE: Erid-7-Glc, Miscanthoside, Pyracanthoside, ((S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one, eriodictyol-7-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Erid-7-Glc, Miscanthoside, Pyracanthoside, ((S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one, eriodictyol-7-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5319853 CH$LINK: INCHIKEY RAFHNDRXYHOLSH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041805.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041805.txt index db347edfd10..598ec9d6079 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041805.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041805 -RECORD_TITLE: Erid-7-Glc, Miscanthoside, Pyracanthoside, ((S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one, eriodictyol-7-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Erid-7-Glc, Miscanthoside, Pyracanthoside, ((S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one, eriodictyol-7-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5319853 CH$LINK: INCHIKEY RAFHNDRXYHOLSH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041806.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041806.txt index e434ed0bb2f..5199557b38b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041806.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041806.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041806 -RECORD_TITLE: Erid-7-Glc, Miscanthoside, Pyracanthoside, ((S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one, eriodictyol-7-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Erid-7-Glc, Miscanthoside, Pyracanthoside, ((S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one, eriodictyol-7-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5319853 CH$LINK: INCHIKEY RAFHNDRXYHOLSH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041807.txt index 3b6a38553a1..0cafa0e9dfc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041807 -RECORD_TITLE: Erid-7-Glc, Miscanthoside, Pyracanthoside, ((S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one, eriodictyol-7-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Erid-7-Glc, Miscanthoside, Pyracanthoside, ((S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one, eriodictyol-7-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5319853 CH$LINK: INCHIKEY RAFHNDRXYHOLSH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041808.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041808.txt index 8f5fb55b912..7c7f82633f3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041808.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041808 -RECORD_TITLE: Erid-7-Glc, Miscanthoside, Pyracanthoside, ((S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one, eriodictyol-7-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Erid-7-Glc, Miscanthoside, Pyracanthoside, ((S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one, eriodictyol-7-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5319853 CH$LINK: INCHIKEY RAFHNDRXYHOLSH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041809.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041809.txt index 48154bbc783..3dc62a5f6cd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041809.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041809.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041809 -RECORD_TITLE: Erid-7-Glc, Miscanthoside, Pyracanthoside, ((S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one, eriodictyol-7-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Erid-7-Glc, Miscanthoside, Pyracanthoside, ((S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one, eriodictyol-7-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5319853 CH$LINK: INCHIKEY RAFHNDRXYHOLSH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041810.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041810.txt index e290ecbc87b..9665482e370 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041810.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041810.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041810 -RECORD_TITLE: Erid-7-Glc, Miscanthoside, Pyracanthoside, ((S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one, eriodictyol-7-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Erid-7-Glc, Miscanthoside, Pyracanthoside, ((S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one, eriodictyol-7-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5319853 CH$LINK: INCHIKEY RAFHNDRXYHOLSH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041811.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041811.txt index 35ec380220e..e02fc89577d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041811.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041811.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041811 -RECORD_TITLE: Erid-7-Glc, Miscanthoside, Pyracanthoside, ((S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one, eriodictyol-7-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Erid-7-Glc, Miscanthoside, Pyracanthoside, ((S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one, eriodictyol-7-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5319853 CH$LINK: INCHIKEY RAFHNDRXYHOLSH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041812.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041812.txt index 16406dbb42d..7eeb6d60aef 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041812.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041812.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041812 -RECORD_TITLE: Erid-7-Glc, Miscanthoside, Pyracanthoside, ((S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one, eriodictyol-7-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Erid-7-Glc, Miscanthoside, Pyracanthoside, ((S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-5-hydroxy-4H-1-benzopyran-4-one, eriodictyol-7-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5319853 CH$LINK: INCHIKEY RAFHNDRXYHOLSH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041901.txt index b1eb7ca31d6..2a5dadf0862 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041901 -RECORD_TITLE: Isor-3-Glc, isorhamnetin-3-O-glucoside, Isorhamnetin-3-beta-D-galactopyranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Isor-3-Glc, isorhamnetin-3-O-glucoside, Isorhamnetin-3-beta-D-galactopyranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5318645 CH$LINK: INCHIKEY CQLRUIIRRZYHHS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041902.txt index b7d35e18784..25dd6bc3c9e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041902 -RECORD_TITLE: Isor-3-Glc, isorhamnetin-3-O-glucoside, Isorhamnetin-3-beta-D-galactopyranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Isor-3-Glc, isorhamnetin-3-O-glucoside, Isorhamnetin-3-beta-D-galactopyranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5318645 CH$LINK: INCHIKEY CQLRUIIRRZYHHS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041903.txt index b9bcb0a63f8..0c3fc6191c5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041903 -RECORD_TITLE: Isor-3-Glc, isorhamnetin-3-O-glucoside, Isorhamnetin-3-beta-D-galactopyranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Isor-3-Glc, isorhamnetin-3-O-glucoside, Isorhamnetin-3-beta-D-galactopyranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5318645 CH$LINK: INCHIKEY CQLRUIIRRZYHHS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041904.txt index 2f16e24b6cd..9291a5fa99c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041904 -RECORD_TITLE: Isor-3-Glc, isorhamnetin-3-O-glucoside, Isorhamnetin-3-beta-D-galactopyranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Isor-3-Glc, isorhamnetin-3-O-glucoside, Isorhamnetin-3-beta-D-galactopyranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5318645 CH$LINK: INCHIKEY CQLRUIIRRZYHHS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041905.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041905.txt index 12b5939b0c1..bf601ba0f2a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041905.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041905 -RECORD_TITLE: Isor-3-Glc, isorhamnetin-3-O-glucoside, Isorhamnetin-3-beta-D-galactopyranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Isor-3-Glc, isorhamnetin-3-O-glucoside, Isorhamnetin-3-beta-D-galactopyranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5318645 CH$LINK: INCHIKEY CQLRUIIRRZYHHS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041906.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041906.txt index 03592976c3e..50fc9a6416e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041906.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041906.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041906 -RECORD_TITLE: Isor-3-Glc, isorhamnetin-3-O-glucoside, Isorhamnetin-3-beta-D-galactopyranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Isor-3-Glc, isorhamnetin-3-O-glucoside, Isorhamnetin-3-beta-D-galactopyranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5318645 CH$LINK: INCHIKEY CQLRUIIRRZYHHS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041907.txt index db17f6bf08f..c4d91215034 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041907 -RECORD_TITLE: Isor-3-Glc, isorhamnetin-3-O-glucoside, Isorhamnetin-3-beta-D-galactopyranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Isor-3-Glc, isorhamnetin-3-O-glucoside, Isorhamnetin-3-beta-D-galactopyranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5318645 CH$LINK: INCHIKEY CQLRUIIRRZYHHS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041908.txt index 3ea16799008..1f3162f19f8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041908 -RECORD_TITLE: Isor-3-Glc, isorhamnetin-3-O-glucoside, Isorhamnetin-3-beta-D-galactopyranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Isor-3-Glc, isorhamnetin-3-O-glucoside, Isorhamnetin-3-beta-D-galactopyranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5318645 CH$LINK: INCHIKEY CQLRUIIRRZYHHS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041909.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041909.txt index cca59756c4a..7a44d8fbd84 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041909.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041909 -RECORD_TITLE: Isor-3-Glc, isorhamnetin-3-O-glucoside, Isorhamnetin-3-beta-D-galactopyranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Isor-3-Glc, isorhamnetin-3-O-glucoside, Isorhamnetin-3-beta-D-galactopyranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5318645 CH$LINK: INCHIKEY CQLRUIIRRZYHHS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041910.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041910.txt index 5764a3879ce..2bbf6a9ef2c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041910.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041910.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041910 -RECORD_TITLE: Isor-3-Glc, isorhamnetin-3-O-glucoside, Isorhamnetin-3-beta-D-galactopyranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Isor-3-Glc, isorhamnetin-3-O-glucoside, Isorhamnetin-3-beta-D-galactopyranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5318645 CH$LINK: INCHIKEY CQLRUIIRRZYHHS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041911.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041911.txt index a2f8c25107c..907b7bc000b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041911.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS041911.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS041911 -RECORD_TITLE: Isor-3-Glc, isorhamnetin-3-O-glucoside, Isorhamnetin-3-beta-D-galactopyranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Isor-3-Glc, isorhamnetin-3-O-glucoside, Isorhamnetin-3-beta-D-galactopyranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5318645 CH$LINK: INCHIKEY CQLRUIIRRZYHHS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042001.txt index a4a28c56057..e46af60d6f0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042001 -RECORD_TITLE: isorhamnetin-3-O-rutinoside, Narcissoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , Isor-3-Glc-6pp-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: isorhamnetin-3-O-rutinoside, Narcissoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , Isor-3-Glc-6pp-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5481663 CH$LINK: INCHIKEY UIDGLYUNOUKLBM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042002.txt index ace8955ba9e..1358aadf954 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042002 -RECORD_TITLE: isorhamnetin-3-O-rutinoside, Narcissoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , Isor-3-Glc-6pp-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: isorhamnetin-3-O-rutinoside, Narcissoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , Isor-3-Glc-6pp-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5481663 CH$LINK: INCHIKEY UIDGLYUNOUKLBM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042003.txt index 2d2e1c52102..871d0f48556 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042003 -RECORD_TITLE: isorhamnetin-3-O-rutinoside, Narcissoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , Isor-3-Glc-6pp-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: isorhamnetin-3-O-rutinoside, Narcissoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , Isor-3-Glc-6pp-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5481663 CH$LINK: INCHIKEY UIDGLYUNOUKLBM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042004.txt index d746277afb1..ebcda1c0a26 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042004 -RECORD_TITLE: isorhamnetin-3-O-rutinoside, Narcissoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , Isor-3-Glc-6pp-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: isorhamnetin-3-O-rutinoside, Narcissoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , Isor-3-Glc-6pp-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5481663 CH$LINK: INCHIKEY UIDGLYUNOUKLBM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042005.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042005.txt index 799facb2193..51414643a85 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042005.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042005 -RECORD_TITLE: isorhamnetin-3-O-rutinoside, Narcissoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , Isor-3-Glc-6pp-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: isorhamnetin-3-O-rutinoside, Narcissoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , Isor-3-Glc-6pp-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5481663 CH$LINK: INCHIKEY UIDGLYUNOUKLBM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042006.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042006.txt index d629345a1af..84d602824f6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042006.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042006.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042006 -RECORD_TITLE: isorhamnetin-3-O-rutinoside, Narcissoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , Isor-3-Glc-6pp-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: isorhamnetin-3-O-rutinoside, Narcissoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , Isor-3-Glc-6pp-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5481663 CH$LINK: INCHIKEY UIDGLYUNOUKLBM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042007.txt index f07dc7d3beb..d628995ebfd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042007 -RECORD_TITLE: isorhamnetin-3-O-rutinoside, Narcissoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , Isor-3-Glc-6pp-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: isorhamnetin-3-O-rutinoside, Narcissoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , Isor-3-Glc-6pp-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5481663 CH$LINK: INCHIKEY UIDGLYUNOUKLBM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042008.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042008.txt index 5a1d8414ba8..f939e014755 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042008.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042008 -RECORD_TITLE: isorhamnetin-3-O-rutinoside, Narcissoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , Isor-3-Glc-6pp-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: isorhamnetin-3-O-rutinoside, Narcissoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , Isor-3-Glc-6pp-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5481663 CH$LINK: INCHIKEY UIDGLYUNOUKLBM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042009.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042009.txt index 55a5063237b..aa04962e2d2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042009.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042009 -RECORD_TITLE: isorhamnetin-3-O-rutinoside, Narcissoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , Isor-3-Glc-6pp-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: isorhamnetin-3-O-rutinoside, Narcissoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , Isor-3-Glc-6pp-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5481663 CH$LINK: INCHIKEY UIDGLYUNOUKLBM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042010.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042010.txt index 685840f7e54..54c332fbdc6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042010.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042010.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042010 -RECORD_TITLE: isorhamnetin-3-O-rutinoside, Narcissoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , Isor-3-Glc-6pp-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: isorhamnetin-3-O-rutinoside, Narcissoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , Isor-3-Glc-6pp-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5481663 CH$LINK: INCHIKEY UIDGLYUNOUKLBM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042011.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042011.txt index c6ee8f0ccaa..5a3171bf4cb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042011.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042011.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042011 -RECORD_TITLE: isorhamnetin-3-O-rutinoside, Narcissoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , Isor-3-Glc-6pp-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: isorhamnetin-3-O-rutinoside, Narcissoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , Isor-3-Glc-6pp-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5481663 CH$LINK: INCHIKEY UIDGLYUNOUKLBM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042012.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042012.txt index 6dbe9a9466c..324c4d030d4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042012.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042012.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042012 -RECORD_TITLE: isorhamnetin-3-O-rutinoside, Narcissoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , Isor-3-Glc-6pp-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: isorhamnetin-3-O-rutinoside, Narcissoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , Isor-3-Glc-6pp-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5481663 CH$LINK: INCHIKEY UIDGLYUNOUKLBM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042101.txt index 093f97dbf3a..641a3b464a1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042101 -RECORD_TITLE: 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol-3-O-galactose-rhamnose-7-O-rhamnose, Kaem-3-Rob-7-Rha, kaempferol-3-O-robinoside-7-O-rhamnoside, Robinin, Kaem-3-Gal-Rha-7-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol-3-O-galactose-rhamnose-7-O-rhamnose, Kaem-3-Rob-7-Rha, kaempferol-3-O-robinoside-7-O-rhamnoside, Robinin, Kaem-3-Gal-Rha-7-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281693 CH$LINK: INCHIKEY PEFASEPMJYRQBW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042102.txt index cb27331ffb5..525159c869f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042102 -RECORD_TITLE: 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol-3-O-galactose-rhamnose-7-O-rhamnose, Kaem-3-Rob-7-Rha, kaempferol-3-O-robinoside-7-O-rhamnoside, Robinin, Kaem-3-Gal-Rha-7-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol-3-O-galactose-rhamnose-7-O-rhamnose, Kaem-3-Rob-7-Rha, kaempferol-3-O-robinoside-7-O-rhamnoside, Robinin, Kaem-3-Gal-Rha-7-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281693 CH$LINK: INCHIKEY PEFASEPMJYRQBW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042103.txt index aff7fb21836..0617dd7acd2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042103 -RECORD_TITLE: 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol-3-O-galactose-rhamnose-7-O-rhamnose, Kaem-3-Rob-7-Rha, kaempferol-3-O-robinoside-7-O-rhamnoside, Robinin, Kaem-3-Gal-Rha-7-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol-3-O-galactose-rhamnose-7-O-rhamnose, Kaem-3-Rob-7-Rha, kaempferol-3-O-robinoside-7-O-rhamnoside, Robinin, Kaem-3-Gal-Rha-7-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281693 CH$LINK: INCHIKEY PEFASEPMJYRQBW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042104.txt index 679768ea5a5..52550dc3169 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042104 -RECORD_TITLE: 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol-3-O-galactose-rhamnose-7-O-rhamnose, Kaem-3-Rob-7-Rha, kaempferol-3-O-robinoside-7-O-rhamnoside, Robinin, Kaem-3-Gal-Rha-7-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol-3-O-galactose-rhamnose-7-O-rhamnose, Kaem-3-Rob-7-Rha, kaempferol-3-O-robinoside-7-O-rhamnoside, Robinin, Kaem-3-Gal-Rha-7-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281693 CH$LINK: INCHIKEY PEFASEPMJYRQBW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042105.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042105.txt index 0697a474622..5a05365cd43 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042105.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042105 -RECORD_TITLE: 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol-3-O-galactose-rhamnose-7-O-rhamnose, Kaem-3-Rob-7-Rha, kaempferol-3-O-robinoside-7-O-rhamnoside, Robinin, Kaem-3-Gal-Rha-7-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol-3-O-galactose-rhamnose-7-O-rhamnose, Kaem-3-Rob-7-Rha, kaempferol-3-O-robinoside-7-O-rhamnoside, Robinin, Kaem-3-Gal-Rha-7-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281693 CH$LINK: INCHIKEY PEFASEPMJYRQBW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042106.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042106.txt index 689eb059d5b..a36b138acbd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042106.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042106 -RECORD_TITLE: 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol-3-O-galactose-rhamnose-7-O-rhamnose, Kaem-3-Rob-7-Rha, kaempferol-3-O-robinoside-7-O-rhamnoside, Robinin, Kaem-3-Gal-Rha-7-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol-3-O-galactose-rhamnose-7-O-rhamnose, Kaem-3-Rob-7-Rha, kaempferol-3-O-robinoside-7-O-rhamnoside, Robinin, Kaem-3-Gal-Rha-7-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281693 CH$LINK: INCHIKEY PEFASEPMJYRQBW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042107.txt index 6995c5775f1..67f03c63118 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042107 -RECORD_TITLE: 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol-3-O-galactose-rhamnose-7-O-rhamnose, Kaem-3-Rob-7-Rha, kaempferol-3-O-robinoside-7-O-rhamnoside, Robinin, Kaem-3-Gal-Rha-7-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol-3-O-galactose-rhamnose-7-O-rhamnose, Kaem-3-Rob-7-Rha, kaempferol-3-O-robinoside-7-O-rhamnoside, Robinin, Kaem-3-Gal-Rha-7-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281693 CH$LINK: INCHIKEY PEFASEPMJYRQBW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042108.txt index c0675e6f0be..c8f8a210248 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042108 -RECORD_TITLE: 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol-3-O-galactose-rhamnose-7-O-rhamnose, Kaem-3-Rob-7-Rha, kaempferol-3-O-robinoside-7-O-rhamnoside, Robinin, Kaem-3-Gal-Rha-7-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol-3-O-galactose-rhamnose-7-O-rhamnose, Kaem-3-Rob-7-Rha, kaempferol-3-O-robinoside-7-O-rhamnoside, Robinin, Kaem-3-Gal-Rha-7-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281693 CH$LINK: INCHIKEY PEFASEPMJYRQBW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042109.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042109.txt index 88d4c9d738b..946298cf6d7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042109.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042109 -RECORD_TITLE: 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol-3-O-galactose-rhamnose-7-O-rhamnose, Kaem-3-Rob-7-Rha, kaempferol-3-O-robinoside-7-O-rhamnoside, Robinin, Kaem-3-Gal-Rha-7-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol-3-O-galactose-rhamnose-7-O-rhamnose, Kaem-3-Rob-7-Rha, kaempferol-3-O-robinoside-7-O-rhamnoside, Robinin, Kaem-3-Gal-Rha-7-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281693 CH$LINK: INCHIKEY PEFASEPMJYRQBW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042110.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042110.txt index 91ce7bfbcd5..f30aea54067 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042110.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042110.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042110 -RECORD_TITLE: 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol-3-O-galactose-rhamnose-7-O-rhamnose, Kaem-3-Rob-7-Rha, kaempferol-3-O-robinoside-7-O-rhamnoside, Robinin, Kaem-3-Gal-Rha-7-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol-3-O-galactose-rhamnose-7-O-rhamnose, Kaem-3-Rob-7-Rha, kaempferol-3-O-robinoside-7-O-rhamnoside, Robinin, Kaem-3-Gal-Rha-7-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281693 CH$LINK: INCHIKEY PEFASEPMJYRQBW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042111.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042111.txt index a75c4235b5b..91bf2611797 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042111.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042111.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042111 -RECORD_TITLE: 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol-3-O-galactose-rhamnose-7-O-rhamnose, Kaem-3-Rob-7-Rha, kaempferol-3-O-robinoside-7-O-rhamnoside, Robinin, Kaem-3-Gal-Rha-7-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol-3-O-galactose-rhamnose-7-O-rhamnose, Kaem-3-Rob-7-Rha, kaempferol-3-O-robinoside-7-O-rhamnoside, Robinin, Kaem-3-Gal-Rha-7-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281693 CH$LINK: INCHIKEY PEFASEPMJYRQBW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042112.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042112.txt index fcffe10aaa1..712f12810d6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042112.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042112.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042112 -RECORD_TITLE: 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol-3-O-galactose-rhamnose-7-O-rhamnose, Kaem-3-Rob-7-Rha, kaempferol-3-O-robinoside-7-O-rhamnoside, Robinin, Kaem-3-Gal-Rha-7-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-galactopyranosyl)oxy)-7-((6-deoxy-alpha-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, Kaempferol-3-O-galactose-rhamnose-7-O-rhamnose, Kaem-3-Rob-7-Rha, kaempferol-3-O-robinoside-7-O-rhamnoside, Robinin, Kaem-3-Gal-Rha-7-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281693 CH$LINK: INCHIKEY PEFASEPMJYRQBW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042201.txt index 823b4aa9899..816b2036fa3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042201 -RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, kaempferol-3-O-glucoside, Astragaline, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, kaempferol-3-O-glucoside, Astragaline, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5282102 CH$LINK: INCHIKEY JPUKWEQWGBDDQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042202.txt index d387e4f229d..992bf100828 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042202 -RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, kaempferol-3-O-glucoside, Astragaline, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, kaempferol-3-O-glucoside, Astragaline, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5282102 CH$LINK: INCHIKEY JPUKWEQWGBDDQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042203.txt index f7035065fb2..a5a761a575e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042203 -RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, kaempferol-3-O-glucoside, Astragaline, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, kaempferol-3-O-glucoside, Astragaline, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5282102 CH$LINK: INCHIKEY JPUKWEQWGBDDQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042204.txt index cb02019fc2d..f12c28cba28 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042204 -RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, kaempferol-3-O-glucoside, Astragaline, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, kaempferol-3-O-glucoside, Astragaline, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5282102 CH$LINK: INCHIKEY JPUKWEQWGBDDQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042205.txt index 4f95f6dd42b..5978f13c2dd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042205 -RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, kaempferol-3-O-glucoside, Astragaline, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, kaempferol-3-O-glucoside, Astragaline, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5282102 CH$LINK: INCHIKEY JPUKWEQWGBDDQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042206.txt index fa416684dc5..127d37835db 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042206 -RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, kaempferol-3-O-glucoside, Astragaline, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, kaempferol-3-O-glucoside, Astragaline, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5282102 CH$LINK: INCHIKEY JPUKWEQWGBDDQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042207.txt index 20834d13b0e..5c82e7b1440 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042207 -RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, kaempferol-3-O-glucoside, Astragaline, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, kaempferol-3-O-glucoside, Astragaline, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5282102 CH$LINK: INCHIKEY JPUKWEQWGBDDQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042208.txt index 3bafbe12374..d26bf654e3e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042208 -RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, kaempferol-3-O-glucoside, Astragaline, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, kaempferol-3-O-glucoside, Astragaline, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5282102 CH$LINK: INCHIKEY JPUKWEQWGBDDQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042209.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042209.txt index e2f20ff3413..6143e6c7fbe 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042209.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042209 -RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, kaempferol-3-O-glucoside, Astragaline, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, kaempferol-3-O-glucoside, Astragaline, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5282102 CH$LINK: INCHIKEY JPUKWEQWGBDDQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042210.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042210.txt index 762305584d7..fbade200160 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042210.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042210.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042210 -RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, kaempferol-3-O-glucoside, Astragaline, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, kaempferol-3-O-glucoside, Astragaline, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5282102 CH$LINK: INCHIKEY JPUKWEQWGBDDQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042211.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042211.txt index 312fe40bf76..c41676cd72d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042211.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042211.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042211 -RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, kaempferol-3-O-glucoside, Astragaline, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, kaempferol-3-O-glucoside, Astragaline, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5282102 CH$LINK: INCHIKEY JPUKWEQWGBDDQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042301.txt index a0f048c7555..2f3ac1a9209 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042301 -RECORD_TITLE: Nicotiflorin, Kaem-3-Glc-6pp-Rha, kaempferol-3-rhamnoglucoside , kaempferol-3-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Nicotiflorin, Kaem-3-Glc-6pp-Rha, kaempferol-3-rhamnoglucoside , kaempferol-3-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5318767 CH$LINK: INCHIKEY RTATXGUCZHCSNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042302.txt index 8b30e23a3d4..6c433f29e67 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042302 -RECORD_TITLE: Nicotiflorin, Kaem-3-Glc-6pp-Rha, kaempferol-3-rhamnoglucoside , kaempferol-3-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Nicotiflorin, Kaem-3-Glc-6pp-Rha, kaempferol-3-rhamnoglucoside , kaempferol-3-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5318767 CH$LINK: INCHIKEY RTATXGUCZHCSNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042303.txt index 80dd9f03587..f5004da08cd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042303 -RECORD_TITLE: Nicotiflorin, Kaem-3-Glc-6pp-Rha, kaempferol-3-rhamnoglucoside , kaempferol-3-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Nicotiflorin, Kaem-3-Glc-6pp-Rha, kaempferol-3-rhamnoglucoside , kaempferol-3-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5318767 CH$LINK: INCHIKEY RTATXGUCZHCSNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042304.txt index aa1c1296cfe..ce8dbf9afe3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042304 -RECORD_TITLE: Nicotiflorin, Kaem-3-Glc-6pp-Rha, kaempferol-3-rhamnoglucoside , kaempferol-3-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Nicotiflorin, Kaem-3-Glc-6pp-Rha, kaempferol-3-rhamnoglucoside , kaempferol-3-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5318767 CH$LINK: INCHIKEY RTATXGUCZHCSNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042305.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042305.txt index 1b24e1f3ada..275159f5397 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042305.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042305 -RECORD_TITLE: Nicotiflorin, Kaem-3-Glc-6pp-Rha, kaempferol-3-rhamnoglucoside , kaempferol-3-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Nicotiflorin, Kaem-3-Glc-6pp-Rha, kaempferol-3-rhamnoglucoside , kaempferol-3-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5318767 CH$LINK: INCHIKEY RTATXGUCZHCSNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042306.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042306.txt index 9fc2ec3542a..ee2b4beea05 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042306.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042306.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042306 -RECORD_TITLE: Nicotiflorin, Kaem-3-Glc-6pp-Rha, kaempferol-3-rhamnoglucoside , kaempferol-3-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Nicotiflorin, Kaem-3-Glc-6pp-Rha, kaempferol-3-rhamnoglucoside , kaempferol-3-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5318767 CH$LINK: INCHIKEY RTATXGUCZHCSNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042307.txt index 09136c462b7..4e1929d3b59 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042307 -RECORD_TITLE: Nicotiflorin, Kaem-3-Glc-6pp-Rha, kaempferol-3-rhamnoglucoside , kaempferol-3-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Nicotiflorin, Kaem-3-Glc-6pp-Rha, kaempferol-3-rhamnoglucoside , kaempferol-3-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5318767 CH$LINK: INCHIKEY RTATXGUCZHCSNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042308.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042308.txt index 2d3eff63b88..b908382c4de 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042308.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042308.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042308 -RECORD_TITLE: Nicotiflorin, Kaem-3-Glc-6pp-Rha, kaempferol-3-rhamnoglucoside , kaempferol-3-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Nicotiflorin, Kaem-3-Glc-6pp-Rha, kaempferol-3-rhamnoglucoside , kaempferol-3-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5318767 CH$LINK: INCHIKEY RTATXGUCZHCSNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042309.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042309.txt index b84f69f26c0..ab9c183fe59 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042309.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042309.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042309 -RECORD_TITLE: Nicotiflorin, Kaem-3-Glc-6pp-Rha, kaempferol-3-rhamnoglucoside , kaempferol-3-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Nicotiflorin, Kaem-3-Glc-6pp-Rha, kaempferol-3-rhamnoglucoside , kaempferol-3-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5318767 CH$LINK: INCHIKEY RTATXGUCZHCSNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042310.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042310.txt index 9e8860d1852..03ee0af6277 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042310.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042310.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042310 -RECORD_TITLE: Nicotiflorin, Kaem-3-Glc-6pp-Rha, kaempferol-3-rhamnoglucoside , kaempferol-3-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Nicotiflorin, Kaem-3-Glc-6pp-Rha, kaempferol-3-rhamnoglucoside , kaempferol-3-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5318767 CH$LINK: INCHIKEY RTATXGUCZHCSNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042311.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042311.txt index ac9ee5d19a6..cdb11d729c7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042311.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042311.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042311 -RECORD_TITLE: Nicotiflorin, Kaem-3-Glc-6pp-Rha, kaempferol-3-rhamnoglucoside , kaempferol-3-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Nicotiflorin, Kaem-3-Glc-6pp-Rha, kaempferol-3-rhamnoglucoside , kaempferol-3-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5318767 CH$LINK: INCHIKEY RTATXGUCZHCSNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042312.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042312.txt index dc9cf584927..d98e9681980 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042312.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042312.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042312 -RECORD_TITLE: Nicotiflorin, Kaem-3-Glc-6pp-Rha, kaempferol-3-rhamnoglucoside , kaempferol-3-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Nicotiflorin, Kaem-3-Glc-6pp-Rha, kaempferol-3-rhamnoglucoside , kaempferol-3-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5318767 CH$LINK: INCHIKEY RTATXGUCZHCSNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042401.txt index e9a894beb06..a9c8db9282f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042401 -RECORD_TITLE: 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5483905 CH$LINK: INCHIKEY ZEJXENDZTYVXDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042402.txt index b3fd312bbc9..b30a62a3f02 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042402 -RECORD_TITLE: 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5483905 CH$LINK: INCHIKEY ZEJXENDZTYVXDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042403.txt index d44aeb3e46d..12ccc8cc757 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042403 -RECORD_TITLE: 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5483905 CH$LINK: INCHIKEY ZEJXENDZTYVXDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042404.txt index d0138452f57..22a09a2981a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042404 -RECORD_TITLE: 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5483905 CH$LINK: INCHIKEY ZEJXENDZTYVXDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042405.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042405.txt index 2b00e5d7856..365022eb689 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042405.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042405 -RECORD_TITLE: 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5483905 CH$LINK: INCHIKEY ZEJXENDZTYVXDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042406.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042406.txt index 05a13bf2f2f..354b1932a35 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042406.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042406.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042406 -RECORD_TITLE: 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5483905 CH$LINK: INCHIKEY ZEJXENDZTYVXDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042407.txt index 9791fe00be6..345ed057873 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042407 -RECORD_TITLE: 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5483905 CH$LINK: INCHIKEY ZEJXENDZTYVXDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042408.txt index f461a1f8f08..c8bd5d57f03 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042408 -RECORD_TITLE: 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5483905 CH$LINK: INCHIKEY ZEJXENDZTYVXDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042409.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042409.txt index 787bf3b9a24..0a48dcd564b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042409.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042409 -RECORD_TITLE: 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5483905 CH$LINK: INCHIKEY ZEJXENDZTYVXDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042410.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042410.txt index 9d79e78d680..9a11387e86b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042410.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042410.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042410 -RECORD_TITLE: 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5483905 CH$LINK: INCHIKEY ZEJXENDZTYVXDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042411.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042411.txt index ca9a918ed6e..d705c794a78 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042411.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042411.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042411 -RECORD_TITLE: 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5483905 CH$LINK: INCHIKEY ZEJXENDZTYVXDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042412.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042412.txt index 32b5c34b8d6..1d9d5fecd6a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042412.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042412.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042412 -RECORD_TITLE: 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: 7-[[2-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-3,5-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5483905 CH$LINK: INCHIKEY ZEJXENDZTYVXDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042501.txt index d5bb10d2a15..5c7359bb6d1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042501 -RECORD_TITLE: Lutl-6-C-Glc, Isoorientin, Homoorientin, luteolin-6-C-glucoside, luteolin- 6-C-beta-D-glucopyranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-6-C-Glc, Isoorientin, Homoorientin, luteolin-6-C-glucoside, luteolin- 6-C-beta-D-glucopyranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:114776 CH$LINK: INCHIKEY ODBRNZZJSYPIDI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042502.txt index c8d5860e2df..e4e35d4c87c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042502 -RECORD_TITLE: Lutl-6-C-Glc, Isoorientin, Homoorientin, luteolin-6-C-glucoside, luteolin- 6-C-beta-D-glucopyranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-6-C-Glc, Isoorientin, Homoorientin, luteolin-6-C-glucoside, luteolin- 6-C-beta-D-glucopyranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:114776 CH$LINK: INCHIKEY ODBRNZZJSYPIDI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042507.txt index 51ca512f83a..a2645ef9345 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042507 -RECORD_TITLE: Lutl-6-C-Glc, Isoorientin, Homoorientin, luteolin-6-C-glucoside, luteolin- 6-C-beta-D-glucopyranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-6-C-Glc, Isoorientin, Homoorientin, luteolin-6-C-glucoside, luteolin- 6-C-beta-D-glucopyranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:114776 CH$LINK: INCHIKEY ODBRNZZJSYPIDI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042508.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042508.txt index 00d593d236f..4d9749325d4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042508.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042508 -RECORD_TITLE: Lutl-6-C-Glc, Isoorientin, Homoorientin, luteolin-6-C-glucoside, luteolin- 6-C-beta-D-glucopyranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-6-C-Glc, Isoorientin, Homoorientin, luteolin-6-C-glucoside, luteolin- 6-C-beta-D-glucopyranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:114776 CH$LINK: INCHIKEY ODBRNZZJSYPIDI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042509.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042509.txt index 8f7473fe374..a0cd597b3b5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042509.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042509.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042509 -RECORD_TITLE: Lutl-6-C-Glc, Isoorientin, Homoorientin, luteolin-6-C-glucoside, luteolin- 6-C-beta-D-glucopyranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-6-C-Glc, Isoorientin, Homoorientin, luteolin-6-C-glucoside, luteolin- 6-C-beta-D-glucopyranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:114776 CH$LINK: INCHIKEY ODBRNZZJSYPIDI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042601.txt index dfc5c814b09..799e2d08739 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042601 -RECORD_TITLE: Glucoluteolin, Luteoloside, luteolin-7-O-glucoside, Luteolin 7-O-beta-D-glucoside, Cinaroside, Lutl-7-Glc, Luteolin 7-O-glucopyranoside, 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone, 7-Glucosylluteolin, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, Cynaroside; LC-ESI-QQ; MS2 +RECORD_TITLE: Glucoluteolin, Luteoloside, luteolin-7-O-glucoside, Luteolin 7-O-beta-D-glucoside, Cinaroside, Lutl-7-Glc, Luteolin 7-O-glucopyranoside, 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone, 7-Glucosylluteolin, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, Cynaroside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:5280637 CH$LINK: INCHIKEY PEFNSGRTCBGNAN-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042602.txt index f5383bce543..58bfa7c3f06 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042602 -RECORD_TITLE: Glucoluteolin, Luteoloside, luteolin-7-O-glucoside, Luteolin 7-O-beta-D-glucoside, Cinaroside, Lutl-7-Glc, Luteolin 7-O-glucopyranoside, 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone, 7-Glucosylluteolin, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, Cynaroside; LC-ESI-QQ; MS2 +RECORD_TITLE: Glucoluteolin, Luteoloside, luteolin-7-O-glucoside, Luteolin 7-O-beta-D-glucoside, Cinaroside, Lutl-7-Glc, Luteolin 7-O-glucopyranoside, 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone, 7-Glucosylluteolin, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, Cynaroside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:5280637 CH$LINK: INCHIKEY PEFNSGRTCBGNAN-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042603.txt index 0915ae26a0f..78cf7573c55 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042603 -RECORD_TITLE: Glucoluteolin, Luteoloside, luteolin-7-O-glucoside, Luteolin 7-O-beta-D-glucoside, Cinaroside, Lutl-7-Glc, Luteolin 7-O-glucopyranoside, 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone, 7-Glucosylluteolin, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, Cynaroside; LC-ESI-QQ; MS2 +RECORD_TITLE: Glucoluteolin, Luteoloside, luteolin-7-O-glucoside, Luteolin 7-O-beta-D-glucoside, Cinaroside, Lutl-7-Glc, Luteolin 7-O-glucopyranoside, 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone, 7-Glucosylluteolin, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, Cynaroside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:5280637 CH$LINK: INCHIKEY PEFNSGRTCBGNAN-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042604.txt index 56775432a05..bd486857e61 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042604 -RECORD_TITLE: Glucoluteolin, Luteoloside, luteolin-7-O-glucoside, Luteolin 7-O-beta-D-glucoside, Cinaroside, Lutl-7-Glc, Luteolin 7-O-glucopyranoside, 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone, 7-Glucosylluteolin, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, Cynaroside; LC-ESI-QQ; MS2 +RECORD_TITLE: Glucoluteolin, Luteoloside, luteolin-7-O-glucoside, Luteolin 7-O-beta-D-glucoside, Cinaroside, Lutl-7-Glc, Luteolin 7-O-glucopyranoside, 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone, 7-Glucosylluteolin, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, Cynaroside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:5280637 CH$LINK: INCHIKEY PEFNSGRTCBGNAN-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042605.txt index d3d284807c0..27f56a5aa21 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042605 -RECORD_TITLE: Glucoluteolin, Luteoloside, luteolin-7-O-glucoside, Luteolin 7-O-beta-D-glucoside, Cinaroside, Lutl-7-Glc, Luteolin 7-O-glucopyranoside, 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone, 7-Glucosylluteolin, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, Cynaroside; LC-ESI-QQ; MS2 +RECORD_TITLE: Glucoluteolin, Luteoloside, luteolin-7-O-glucoside, Luteolin 7-O-beta-D-glucoside, Cinaroside, Lutl-7-Glc, Luteolin 7-O-glucopyranoside, 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone, 7-Glucosylluteolin, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, Cynaroside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:5280637 CH$LINK: INCHIKEY PEFNSGRTCBGNAN-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042606.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042606.txt index f91ac8d30c2..8ffa6c03cec 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042606.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042606.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042606 -RECORD_TITLE: Glucoluteolin, Luteoloside, luteolin-7-O-glucoside, Luteolin 7-O-beta-D-glucoside, Cinaroside, Lutl-7-Glc, Luteolin 7-O-glucopyranoside, 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone, 7-Glucosylluteolin, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, Cynaroside; LC-ESI-QQ; MS2 +RECORD_TITLE: Glucoluteolin, Luteoloside, luteolin-7-O-glucoside, Luteolin 7-O-beta-D-glucoside, Cinaroside, Lutl-7-Glc, Luteolin 7-O-glucopyranoside, 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone, 7-Glucosylluteolin, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, Cynaroside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:5280637 CH$LINK: INCHIKEY PEFNSGRTCBGNAN-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042607.txt index 61cc1d243cd..f93ff14792c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042607 -RECORD_TITLE: Glucoluteolin, Luteoloside, luteolin-7-O-glucoside, Luteolin 7-O-beta-D-glucoside, Cinaroside, Lutl-7-Glc, Luteolin 7-O-glucopyranoside, 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone, 7-Glucosylluteolin, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, Cynaroside; LC-ESI-QQ; MS2 +RECORD_TITLE: Glucoluteolin, Luteoloside, luteolin-7-O-glucoside, Luteolin 7-O-beta-D-glucoside, Cinaroside, Lutl-7-Glc, Luteolin 7-O-glucopyranoside, 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone, 7-Glucosylluteolin, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, Cynaroside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:5280637 CH$LINK: INCHIKEY PEFNSGRTCBGNAN-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042608.txt index aa8e01ac3f7..2643e2ba548 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042608 -RECORD_TITLE: Glucoluteolin, Luteoloside, luteolin-7-O-glucoside, Luteolin 7-O-beta-D-glucoside, Cinaroside, Lutl-7-Glc, Luteolin 7-O-glucopyranoside, 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone, 7-Glucosylluteolin, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, Cynaroside; LC-ESI-QQ; MS2 +RECORD_TITLE: Glucoluteolin, Luteoloside, luteolin-7-O-glucoside, Luteolin 7-O-beta-D-glucoside, Cinaroside, Lutl-7-Glc, Luteolin 7-O-glucopyranoside, 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone, 7-Glucosylluteolin, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, Cynaroside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:5280637 CH$LINK: INCHIKEY PEFNSGRTCBGNAN-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042609.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042609.txt index 794bdf2acf9..b675b85a964 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042609.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042609.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042609 -RECORD_TITLE: Glucoluteolin, Luteoloside, luteolin-7-O-glucoside, Luteolin 7-O-beta-D-glucoside, Cinaroside, Lutl-7-Glc, Luteolin 7-O-glucopyranoside, 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone, 7-Glucosylluteolin, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, Cynaroside; LC-ESI-QQ; MS2 +RECORD_TITLE: Glucoluteolin, Luteoloside, luteolin-7-O-glucoside, Luteolin 7-O-beta-D-glucoside, Cinaroside, Lutl-7-Glc, Luteolin 7-O-glucopyranoside, 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone, 7-Glucosylluteolin, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, Cynaroside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:5280637 CH$LINK: INCHIKEY PEFNSGRTCBGNAN-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042610.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042610.txt index 9a0e6724163..0a1bcf9e07b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042610.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042610.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042610 -RECORD_TITLE: Glucoluteolin, Luteoloside, luteolin-7-O-glucoside, Luteolin 7-O-beta-D-glucoside, Cinaroside, Lutl-7-Glc, Luteolin 7-O-glucopyranoside, 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone, 7-Glucosylluteolin, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, Cynaroside; LC-ESI-QQ; MS2 +RECORD_TITLE: Glucoluteolin, Luteoloside, luteolin-7-O-glucoside, Luteolin 7-O-beta-D-glucoside, Cinaroside, Lutl-7-Glc, Luteolin 7-O-glucopyranoside, 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone, 7-Glucosylluteolin, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, Cynaroside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:5280637 CH$LINK: INCHIKEY PEFNSGRTCBGNAN-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042611.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042611.txt index 978895ce47c..fdc4f970248 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042611.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042611.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042611 -RECORD_TITLE: Glucoluteolin, Luteoloside, luteolin-7-O-glucoside, Luteolin 7-O-beta-D-glucoside, Cinaroside, Lutl-7-Glc, Luteolin 7-O-glucopyranoside, 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone, 7-Glucosylluteolin, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, Cynaroside; LC-ESI-QQ; MS2 +RECORD_TITLE: Glucoluteolin, Luteoloside, luteolin-7-O-glucoside, Luteolin 7-O-beta-D-glucoside, Cinaroside, Lutl-7-Glc, Luteolin 7-O-glucopyranoside, 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone, 7-Glucosylluteolin, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, Cynaroside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:5280637 CH$LINK: INCHIKEY PEFNSGRTCBGNAN-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042612.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042612.txt index dfe906092f7..5c0634c2946 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042612.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042612.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042612 -RECORD_TITLE: Glucoluteolin, Luteoloside, luteolin-7-O-glucoside, Luteolin 7-O-beta-D-glucoside, Cinaroside, Lutl-7-Glc, Luteolin 7-O-glucopyranoside, 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone, 7-Glucosylluteolin, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, Cynaroside; LC-ESI-QQ; MS2 +RECORD_TITLE: Glucoluteolin, Luteoloside, luteolin-7-O-glucoside, Luteolin 7-O-beta-D-glucoside, Cinaroside, Lutl-7-Glc, Luteolin 7-O-glucopyranoside, 7-O-beta-D-Glucosyl-5,7,3',4'-tetrahydroxyflavone, 7-Glucosylluteolin, 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-4H-1-benzopyran-4-one, Cynaroside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:5280637 CH$LINK: INCHIKEY PEFNSGRTCBGNAN-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042701.txt index acb1bf4cb3b..c81fb514d0c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042701 -RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281673 CH$LINK: INCHIKEY DCYOADKBABEMIQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042702.txt index 80e7e1a8bed..4abba44efd6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042702 -RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281673 CH$LINK: INCHIKEY DCYOADKBABEMIQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042703.txt index bf7c96b9df3..2069b6cfebd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042703 -RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281673 CH$LINK: INCHIKEY DCYOADKBABEMIQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042704.txt index 825e2dd6ed1..3ac2918e2ee 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042704 -RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281673 CH$LINK: INCHIKEY DCYOADKBABEMIQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042705.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042705.txt index 9092d7ced6c..db7bfe4674f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042705.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042705 -RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281673 CH$LINK: INCHIKEY DCYOADKBABEMIQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042707.txt index 7fc7f80c44a..c98f9f70ec4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042707 -RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281673 CH$LINK: INCHIKEY DCYOADKBABEMIQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042708.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042708.txt index 2b7deebaa65..a5c131fb8e1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042708.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042708 -RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281673 CH$LINK: INCHIKEY DCYOADKBABEMIQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042709.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042709.txt index f0355ec3b7b..1151a307882 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042709.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042709.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042709 -RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281673 CH$LINK: INCHIKEY DCYOADKBABEMIQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042710.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042710.txt index d093163998f..5243d2bf49b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042710.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042710.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042710 -RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281673 CH$LINK: INCHIKEY DCYOADKBABEMIQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042711.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042711.txt index ada28e5720f..70d212534cb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042711.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042711.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042711 -RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281673 CH$LINK: INCHIKEY DCYOADKBABEMIQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042712.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042712.txt index a1a31b59e54..1197493f02f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042712.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042712.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042712 -RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281673 CH$LINK: INCHIKEY DCYOADKBABEMIQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042801.txt index 644c3c7f6f6..58deffe8d9f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042801 -RECORD_TITLE: Nari-7-Glc, (S)-7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, naringenin-7-O-glucoside, 4',5-Dihydroxy-7-glucosyloxyflavanone, Prunin, Naringenin 7-O-beta-D-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Nari-7-Glc, (S)-7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, naringenin-7-O-glucoside, 4',5-Dihydroxy-7-glucosyloxyflavanone, Prunin, Naringenin 7-O-beta-D-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:92794 CH$LINK: INCHIKEY DLIKSSGEMUFQOK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042802.txt index 9734bd08123..177cd2e65c3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042802 -RECORD_TITLE: Nari-7-Glc, (S)-7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, naringenin-7-O-glucoside, 4',5-Dihydroxy-7-glucosyloxyflavanone, Prunin, Naringenin 7-O-beta-D-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Nari-7-Glc, (S)-7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, naringenin-7-O-glucoside, 4',5-Dihydroxy-7-glucosyloxyflavanone, Prunin, Naringenin 7-O-beta-D-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:92794 CH$LINK: INCHIKEY DLIKSSGEMUFQOK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042803.txt index 112b2e71204..25b4e12ef83 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042803 -RECORD_TITLE: Nari-7-Glc, (S)-7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, naringenin-7-O-glucoside, 4',5-Dihydroxy-7-glucosyloxyflavanone, Prunin, Naringenin 7-O-beta-D-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Nari-7-Glc, (S)-7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, naringenin-7-O-glucoside, 4',5-Dihydroxy-7-glucosyloxyflavanone, Prunin, Naringenin 7-O-beta-D-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:92794 CH$LINK: INCHIKEY DLIKSSGEMUFQOK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042804.txt index 20ce609e1d8..183738f0144 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042804 -RECORD_TITLE: Nari-7-Glc, (S)-7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, naringenin-7-O-glucoside, 4',5-Dihydroxy-7-glucosyloxyflavanone, Prunin, Naringenin 7-O-beta-D-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Nari-7-Glc, (S)-7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, naringenin-7-O-glucoside, 4',5-Dihydroxy-7-glucosyloxyflavanone, Prunin, Naringenin 7-O-beta-D-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:92794 CH$LINK: INCHIKEY DLIKSSGEMUFQOK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042805.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042805.txt index 241313e90f6..651b4d3a9f7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042805.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042805 -RECORD_TITLE: Nari-7-Glc, (S)-7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, naringenin-7-O-glucoside, 4',5-Dihydroxy-7-glucosyloxyflavanone, Prunin, Naringenin 7-O-beta-D-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Nari-7-Glc, (S)-7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, naringenin-7-O-glucoside, 4',5-Dihydroxy-7-glucosyloxyflavanone, Prunin, Naringenin 7-O-beta-D-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:92794 CH$LINK: INCHIKEY DLIKSSGEMUFQOK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042806.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042806.txt index 438f1eb1b7c..905a5cd80f0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042806.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042806.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042806 -RECORD_TITLE: Nari-7-Glc, (S)-7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, naringenin-7-O-glucoside, 4',5-Dihydroxy-7-glucosyloxyflavanone, Prunin, Naringenin 7-O-beta-D-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Nari-7-Glc, (S)-7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, naringenin-7-O-glucoside, 4',5-Dihydroxy-7-glucosyloxyflavanone, Prunin, Naringenin 7-O-beta-D-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:92794 CH$LINK: INCHIKEY DLIKSSGEMUFQOK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042807.txt index 4af83c1a9b6..78fb8c23574 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042807 -RECORD_TITLE: Nari-7-Glc, (S)-7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, naringenin-7-O-glucoside, 4',5-Dihydroxy-7-glucosyloxyflavanone, Prunin, Naringenin 7-O-beta-D-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Nari-7-Glc, (S)-7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, naringenin-7-O-glucoside, 4',5-Dihydroxy-7-glucosyloxyflavanone, Prunin, Naringenin 7-O-beta-D-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:92794 CH$LINK: INCHIKEY DLIKSSGEMUFQOK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042808.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042808.txt index 2d1c6561fa2..53c7dc022b5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042808.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042808 -RECORD_TITLE: Nari-7-Glc, (S)-7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, naringenin-7-O-glucoside, 4',5-Dihydroxy-7-glucosyloxyflavanone, Prunin, Naringenin 7-O-beta-D-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Nari-7-Glc, (S)-7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, naringenin-7-O-glucoside, 4',5-Dihydroxy-7-glucosyloxyflavanone, Prunin, Naringenin 7-O-beta-D-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:92794 CH$LINK: INCHIKEY DLIKSSGEMUFQOK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042809.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042809.txt index 1a09cca090a..3015bc3d31c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042809.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042809.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042809 -RECORD_TITLE: Nari-7-Glc, (S)-7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, naringenin-7-O-glucoside, 4',5-Dihydroxy-7-glucosyloxyflavanone, Prunin, Naringenin 7-O-beta-D-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Nari-7-Glc, (S)-7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, naringenin-7-O-glucoside, 4',5-Dihydroxy-7-glucosyloxyflavanone, Prunin, Naringenin 7-O-beta-D-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:92794 CH$LINK: INCHIKEY DLIKSSGEMUFQOK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042810.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042810.txt index bdfe0593bd9..7233982b301 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042810.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042810.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042810 -RECORD_TITLE: Nari-7-Glc, (S)-7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, naringenin-7-O-glucoside, 4',5-Dihydroxy-7-glucosyloxyflavanone, Prunin, Naringenin 7-O-beta-D-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Nari-7-Glc, (S)-7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, naringenin-7-O-glucoside, 4',5-Dihydroxy-7-glucosyloxyflavanone, Prunin, Naringenin 7-O-beta-D-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:92794 CH$LINK: INCHIKEY DLIKSSGEMUFQOK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042811.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042811.txt index 756d0ef0bc3..69f40e1c473 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042811.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS042811.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS042811 -RECORD_TITLE: Nari-7-Glc, (S)-7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, naringenin-7-O-glucoside, 4',5-Dihydroxy-7-glucosyloxyflavanone, Prunin, Naringenin 7-O-beta-D-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Nari-7-Glc, (S)-7-(beta-D-Glucopyranosyloxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, naringenin-7-O-glucoside, 4',5-Dihydroxy-7-glucosyloxyflavanone, Prunin, Naringenin 7-O-beta-D-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:92794 CH$LINK: INCHIKEY DLIKSSGEMUFQOK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043001.txt index 18701ae52c8..87b09537b56 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043001 -RECORD_TITLE: Puerarin, 4',7-dihydroxy-8-C-glucosylisoflavone, kakonein, daidzein-8-C-glucoside, Ddze-8-C-Glc, 8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one , 8-Glucosyldaidzein; LC-ESI-QQ; MS2 +RECORD_TITLE: Puerarin, 4',7-dihydroxy-8-C-glucosylisoflavone, kakonein, daidzein-8-C-glucoside, Ddze-8-C-Glc, 8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one , 8-Glucosyldaidzein; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281807 CH$LINK: INCHIKEY HKEAFJYKMMKDOR-VPRICQMDSA-N CH$LINK: ChemOnt CHEMONTID:0002896; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid C-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043002.txt index 384ec1cd3e8..24c35b64a71 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043002 -RECORD_TITLE: Puerarin, 4',7-dihydroxy-8-C-glucosylisoflavone, kakonein, daidzein-8-C-glucoside, Ddze-8-C-Glc, 8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one , 8-Glucosyldaidzein; LC-ESI-QQ; MS2 +RECORD_TITLE: Puerarin, 4',7-dihydroxy-8-C-glucosylisoflavone, kakonein, daidzein-8-C-glucoside, Ddze-8-C-Glc, 8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one , 8-Glucosyldaidzein; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281807 CH$LINK: INCHIKEY HKEAFJYKMMKDOR-VPRICQMDSA-N CH$LINK: ChemOnt CHEMONTID:0002896; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid C-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043003.txt index 39453ef987f..060afbfc1b0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043003 -RECORD_TITLE: Puerarin, 4',7-dihydroxy-8-C-glucosylisoflavone, kakonein, daidzein-8-C-glucoside, Ddze-8-C-Glc, 8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one , 8-Glucosyldaidzein; LC-ESI-QQ; MS2 +RECORD_TITLE: Puerarin, 4',7-dihydroxy-8-C-glucosylisoflavone, kakonein, daidzein-8-C-glucoside, Ddze-8-C-Glc, 8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one , 8-Glucosyldaidzein; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281807 CH$LINK: INCHIKEY HKEAFJYKMMKDOR-VPRICQMDSA-N CH$LINK: ChemOnt CHEMONTID:0002896; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid C-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043004.txt index 47e12cc56d3..21a5707fe1c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043004 -RECORD_TITLE: Puerarin, 4',7-dihydroxy-8-C-glucosylisoflavone, kakonein, daidzein-8-C-glucoside, Ddze-8-C-Glc, 8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one , 8-Glucosyldaidzein; LC-ESI-QQ; MS2 +RECORD_TITLE: Puerarin, 4',7-dihydroxy-8-C-glucosylisoflavone, kakonein, daidzein-8-C-glucoside, Ddze-8-C-Glc, 8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one , 8-Glucosyldaidzein; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281807 CH$LINK: INCHIKEY HKEAFJYKMMKDOR-VPRICQMDSA-N CH$LINK: ChemOnt CHEMONTID:0002896; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid C-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043005.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043005.txt index 917f33a81a4..2bb76666b98 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043005.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043005 -RECORD_TITLE: Puerarin, 4',7-dihydroxy-8-C-glucosylisoflavone, kakonein, daidzein-8-C-glucoside, Ddze-8-C-Glc, 8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one , 8-Glucosyldaidzein; LC-ESI-QQ; MS2 +RECORD_TITLE: Puerarin, 4',7-dihydroxy-8-C-glucosylisoflavone, kakonein, daidzein-8-C-glucoside, Ddze-8-C-Glc, 8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one , 8-Glucosyldaidzein; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281807 CH$LINK: INCHIKEY HKEAFJYKMMKDOR-VPRICQMDSA-N CH$LINK: ChemOnt CHEMONTID:0002896; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid C-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043007.txt index 6d165f9d92c..7355f573aad 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043007 -RECORD_TITLE: Puerarin, 4',7-dihydroxy-8-C-glucosylisoflavone, kakonein, daidzein-8-C-glucoside, Ddze-8-C-Glc, 8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one , 8-Glucosyldaidzein; LC-ESI-QQ; MS2 +RECORD_TITLE: Puerarin, 4',7-dihydroxy-8-C-glucosylisoflavone, kakonein, daidzein-8-C-glucoside, Ddze-8-C-Glc, 8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one , 8-Glucosyldaidzein; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281807 CH$LINK: INCHIKEY HKEAFJYKMMKDOR-VPRICQMDSA-N CH$LINK: ChemOnt CHEMONTID:0002896; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid C-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043008.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043008.txt index 44fb9c8636a..30a496a0085 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043008.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043008 -RECORD_TITLE: Puerarin, 4',7-dihydroxy-8-C-glucosylisoflavone, kakonein, daidzein-8-C-glucoside, Ddze-8-C-Glc, 8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one , 8-Glucosyldaidzein; LC-ESI-QQ; MS2 +RECORD_TITLE: Puerarin, 4',7-dihydroxy-8-C-glucosylisoflavone, kakonein, daidzein-8-C-glucoside, Ddze-8-C-Glc, 8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one , 8-Glucosyldaidzein; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281807 CH$LINK: INCHIKEY HKEAFJYKMMKDOR-VPRICQMDSA-N CH$LINK: ChemOnt CHEMONTID:0002896; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid C-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043009.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043009.txt index f888b0a86c3..dc9c2c31a94 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043009.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043009 -RECORD_TITLE: Puerarin, 4',7-dihydroxy-8-C-glucosylisoflavone, kakonein, daidzein-8-C-glucoside, Ddze-8-C-Glc, 8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one , 8-Glucosyldaidzein; LC-ESI-QQ; MS2 +RECORD_TITLE: Puerarin, 4',7-dihydroxy-8-C-glucosylisoflavone, kakonein, daidzein-8-C-glucoside, Ddze-8-C-Glc, 8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one , 8-Glucosyldaidzein; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281807 CH$LINK: INCHIKEY HKEAFJYKMMKDOR-VPRICQMDSA-N CH$LINK: ChemOnt CHEMONTID:0002896; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid C-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043010.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043010.txt index 918e4295191..a8e1f0a870b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043010.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043010.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043010 -RECORD_TITLE: Puerarin, 4',7-dihydroxy-8-C-glucosylisoflavone, kakonein, daidzein-8-C-glucoside, Ddze-8-C-Glc, 8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one , 8-Glucosyldaidzein; LC-ESI-QQ; MS2 +RECORD_TITLE: Puerarin, 4',7-dihydroxy-8-C-glucosylisoflavone, kakonein, daidzein-8-C-glucoside, Ddze-8-C-Glc, 8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one , 8-Glucosyldaidzein; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281807 CH$LINK: INCHIKEY HKEAFJYKMMKDOR-VPRICQMDSA-N CH$LINK: ChemOnt CHEMONTID:0002896; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid C-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043011.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043011.txt index 4ebfaae71a3..f3875d23e95 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043011.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043011.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043011 -RECORD_TITLE: Puerarin, 4',7-dihydroxy-8-C-glucosylisoflavone, kakonein, daidzein-8-C-glucoside, Ddze-8-C-Glc, 8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one , 8-Glucosyldaidzein; LC-ESI-QQ; MS2 +RECORD_TITLE: Puerarin, 4',7-dihydroxy-8-C-glucosylisoflavone, kakonein, daidzein-8-C-glucoside, Ddze-8-C-Glc, 8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one , 8-Glucosyldaidzein; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281807 CH$LINK: INCHIKEY HKEAFJYKMMKDOR-VPRICQMDSA-N CH$LINK: ChemOnt CHEMONTID:0002896; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid C-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043012.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043012.txt index 01b91b5e14c..c34f6cec9bb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043012.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043012.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043012 -RECORD_TITLE: Puerarin, 4',7-dihydroxy-8-C-glucosylisoflavone, kakonein, daidzein-8-C-glucoside, Ddze-8-C-Glc, 8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one , 8-Glucosyldaidzein; LC-ESI-QQ; MS2 +RECORD_TITLE: Puerarin, 4',7-dihydroxy-8-C-glucosylisoflavone, kakonein, daidzein-8-C-glucoside, Ddze-8-C-Glc, 8-(beta-D-Glucopyranosyl-7-hydroxy-3- (4-hydroxyphenyl)-4H-1-benzopyran-4-one , 8-Glucosyldaidzein; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281807 CH$LINK: INCHIKEY HKEAFJYKMMKDOR-VPRICQMDSA-N CH$LINK: ChemOnt CHEMONTID:0002896; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid C-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043101.txt index 7dbd069f88b..6a690de074b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043101 -RECORD_TITLE: 3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Ara-Glc, Peltatoside, quercetin-3-O-arabinoglucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Ara-Glc, Peltatoside, quercetin-3-O-arabinoglucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5484066 CH$LINK: INCHIKEY YNMFDPCLPIMRFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043102.txt index 6f2c9d40416..ebf12b06420 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043102 -RECORD_TITLE: 3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Ara-Glc, Peltatoside, quercetin-3-O-arabinoglucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Ara-Glc, Peltatoside, quercetin-3-O-arabinoglucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5484066 CH$LINK: INCHIKEY YNMFDPCLPIMRFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043103.txt index 716e669b211..d9010c81c24 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043103 -RECORD_TITLE: 3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Ara-Glc, Peltatoside, quercetin-3-O-arabinoglucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Ara-Glc, Peltatoside, quercetin-3-O-arabinoglucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5484066 CH$LINK: INCHIKEY YNMFDPCLPIMRFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043104.txt index 81055de05a4..d63392087f2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043104 -RECORD_TITLE: 3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Ara-Glc, Peltatoside, quercetin-3-O-arabinoglucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Ara-Glc, Peltatoside, quercetin-3-O-arabinoglucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5484066 CH$LINK: INCHIKEY YNMFDPCLPIMRFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043105.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043105.txt index 35391373d69..873c85e1d3a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043105.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043105 -RECORD_TITLE: 3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Ara-Glc, Peltatoside, quercetin-3-O-arabinoglucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Ara-Glc, Peltatoside, quercetin-3-O-arabinoglucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5484066 CH$LINK: INCHIKEY YNMFDPCLPIMRFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043106.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043106.txt index 05e32676867..e7da789152b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043106.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043106 -RECORD_TITLE: 3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Ara-Glc, Peltatoside, quercetin-3-O-arabinoglucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Ara-Glc, Peltatoside, quercetin-3-O-arabinoglucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5484066 CH$LINK: INCHIKEY YNMFDPCLPIMRFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043107.txt index 95644955da5..98808d2dca2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043107 -RECORD_TITLE: 3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Ara-Glc, Peltatoside, quercetin-3-O-arabinoglucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Ara-Glc, Peltatoside, quercetin-3-O-arabinoglucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5484066 CH$LINK: INCHIKEY YNMFDPCLPIMRFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043108.txt index 737a5ee3437..d7788ef3218 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043108 -RECORD_TITLE: 3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Ara-Glc, Peltatoside, quercetin-3-O-arabinoglucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Ara-Glc, Peltatoside, quercetin-3-O-arabinoglucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5484066 CH$LINK: INCHIKEY YNMFDPCLPIMRFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043109.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043109.txt index d0e83325e05..a4a05eab589 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043109.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043109 -RECORD_TITLE: 3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Ara-Glc, Peltatoside, quercetin-3-O-arabinoglucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Ara-Glc, Peltatoside, quercetin-3-O-arabinoglucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5484066 CH$LINK: INCHIKEY YNMFDPCLPIMRFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043110.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043110.txt index 8692639857c..8897ee29980 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043110.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043110.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043110 -RECORD_TITLE: 3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Ara-Glc, Peltatoside, quercetin-3-O-arabinoglucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Ara-Glc, Peltatoside, quercetin-3-O-arabinoglucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5484066 CH$LINK: INCHIKEY YNMFDPCLPIMRFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043111.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043111.txt index ada822b8b1b..935ba060c5d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043111.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043111.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043111 -RECORD_TITLE: 3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Ara-Glc, Peltatoside, quercetin-3-O-arabinoglucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Ara-Glc, Peltatoside, quercetin-3-O-arabinoglucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5484066 CH$LINK: INCHIKEY YNMFDPCLPIMRFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043112.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043112.txt index ac6b9e38404..5aa283bb411 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043112.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043112.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043112 -RECORD_TITLE: 3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Ara-Glc, Peltatoside, quercetin-3-O-arabinoglucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-[(6-O-alpha-L-Arabinopyranosyl-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Ara-Glc, Peltatoside, quercetin-3-O-arabinoglucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5484066 CH$LINK: INCHIKEY YNMFDPCLPIMRFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043201.txt index 992f9ff0178..ebb24968607 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043201 -RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281643 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043202.txt index 30363551626..25d1a3dd1cd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043202 -RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281643 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043203.txt index 7cd8bc73827..a3899847710 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043203 -RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281643 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043204.txt index d6154f89dae..d95d88d2cc6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043204 -RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281643 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043205.txt index daa953d8ca5..f0b34e78031 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043205 -RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281643 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043206.txt index cce3ab1216b..1adc1d7fe6f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043206 -RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281643 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043207.txt index 80739721ea5..be14f3db042 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043207 -RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281643 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043208.txt index d49c876cc20..627088d604b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043208 -RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281643 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043209.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043209.txt index e75dc6ab393..7ecc7d562ba 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043209.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043209 -RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281643 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043210.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043210.txt index cc1b5d1061f..de170ae5a25 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043210.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043210.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043210 -RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281643 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043211.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043211.txt index db9d645318a..feb2552cd6c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043211.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043211.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043211 -RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281643 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043212.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043212.txt index b003211688e..47574fc3ab3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043212.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043212.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043212 -RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281643 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043301.txt index 71e4e2ec685..224fa2e25f5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043301 -RECORD_TITLE: Hirsutrin, 3-Glucosylquercetin, quercetin-3-O-beta-glucopyranoside, Quercetin-3-glucoside, Isoquercetin, 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Glc, Isotrifoliin; LC-ESI-QQ; MS2 +RECORD_TITLE: Hirsutrin, 3-Glucosylquercetin, quercetin-3-O-beta-glucopyranoside, Quercetin-3-glucoside, Isoquercetin, 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Glc, Isotrifoliin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280804 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043302.txt index 3db1f5b870e..b20f866ee5e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043302 -RECORD_TITLE: Hirsutrin, 3-Glucosylquercetin, quercetin-3-O-beta-glucopyranoside, Quercetin-3-glucoside, Isoquercetin, 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Glc, Isotrifoliin; LC-ESI-QQ; MS2 +RECORD_TITLE: Hirsutrin, 3-Glucosylquercetin, quercetin-3-O-beta-glucopyranoside, Quercetin-3-glucoside, Isoquercetin, 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Glc, Isotrifoliin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280804 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043303.txt index 196ee041da7..9d2be2efb41 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043303 -RECORD_TITLE: Hirsutrin, 3-Glucosylquercetin, quercetin-3-O-beta-glucopyranoside, Quercetin-3-glucoside, Isoquercetin, 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Glc, Isotrifoliin; LC-ESI-QQ; MS2 +RECORD_TITLE: Hirsutrin, 3-Glucosylquercetin, quercetin-3-O-beta-glucopyranoside, Quercetin-3-glucoside, Isoquercetin, 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Glc, Isotrifoliin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280804 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043304.txt index 7360c9838b2..14a38d19f32 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043304 -RECORD_TITLE: Hirsutrin, 3-Glucosylquercetin, quercetin-3-O-beta-glucopyranoside, Quercetin-3-glucoside, Isoquercetin, 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Glc, Isotrifoliin; LC-ESI-QQ; MS2 +RECORD_TITLE: Hirsutrin, 3-Glucosylquercetin, quercetin-3-O-beta-glucopyranoside, Quercetin-3-glucoside, Isoquercetin, 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Glc, Isotrifoliin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280804 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043305.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043305.txt index caa2fa59a7b..997699b3834 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043305.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043305 -RECORD_TITLE: Hirsutrin, 3-Glucosylquercetin, quercetin-3-O-beta-glucopyranoside, Quercetin-3-glucoside, Isoquercetin, 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Glc, Isotrifoliin; LC-ESI-QQ; MS2 +RECORD_TITLE: Hirsutrin, 3-Glucosylquercetin, quercetin-3-O-beta-glucopyranoside, Quercetin-3-glucoside, Isoquercetin, 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Glc, Isotrifoliin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280804 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043306.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043306.txt index b0b3e7becca..b169f5ebf1f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043306.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043306.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043306 -RECORD_TITLE: Hirsutrin, 3-Glucosylquercetin, quercetin-3-O-beta-glucopyranoside, Quercetin-3-glucoside, Isoquercetin, 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Glc, Isotrifoliin; LC-ESI-QQ; MS2 +RECORD_TITLE: Hirsutrin, 3-Glucosylquercetin, quercetin-3-O-beta-glucopyranoside, Quercetin-3-glucoside, Isoquercetin, 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Glc, Isotrifoliin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280804 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043307.txt index 50f17cff845..61df131d15a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043307 -RECORD_TITLE: Hirsutrin, 3-Glucosylquercetin, quercetin-3-O-beta-glucopyranoside, Quercetin-3-glucoside, Isoquercetin, 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Glc, Isotrifoliin; LC-ESI-QQ; MS2 +RECORD_TITLE: Hirsutrin, 3-Glucosylquercetin, quercetin-3-O-beta-glucopyranoside, Quercetin-3-glucoside, Isoquercetin, 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Glc, Isotrifoliin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280804 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043308.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043308.txt index 143cca3dde7..622171efb2d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043308.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043308.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043308 -RECORD_TITLE: Hirsutrin, 3-Glucosylquercetin, quercetin-3-O-beta-glucopyranoside, Quercetin-3-glucoside, Isoquercetin, 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Glc, Isotrifoliin; LC-ESI-QQ; MS2 +RECORD_TITLE: Hirsutrin, 3-Glucosylquercetin, quercetin-3-O-beta-glucopyranoside, Quercetin-3-glucoside, Isoquercetin, 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Glc, Isotrifoliin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280804 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043309.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043309.txt index 4363b13fc47..e3bf7a899a8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043309.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043309.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043309 -RECORD_TITLE: Hirsutrin, 3-Glucosylquercetin, quercetin-3-O-beta-glucopyranoside, Quercetin-3-glucoside, Isoquercetin, 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Glc, Isotrifoliin; LC-ESI-QQ; MS2 +RECORD_TITLE: Hirsutrin, 3-Glucosylquercetin, quercetin-3-O-beta-glucopyranoside, Quercetin-3-glucoside, Isoquercetin, 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Glc, Isotrifoliin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280804 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043310.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043310.txt index 9b4cfdc4e14..bbe9f444227 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043310.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043310.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043310 -RECORD_TITLE: Hirsutrin, 3-Glucosylquercetin, quercetin-3-O-beta-glucopyranoside, Quercetin-3-glucoside, Isoquercetin, 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Glc, Isotrifoliin; LC-ESI-QQ; MS2 +RECORD_TITLE: Hirsutrin, 3-Glucosylquercetin, quercetin-3-O-beta-glucopyranoside, Quercetin-3-glucoside, Isoquercetin, 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Glc, Isotrifoliin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280804 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043311.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043311.txt index 4e55ed136e6..6e7b71c65d1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043311.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043311.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043311 -RECORD_TITLE: Hirsutrin, 3-Glucosylquercetin, quercetin-3-O-beta-glucopyranoside, Quercetin-3-glucoside, Isoquercetin, 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Glc, Isotrifoliin; LC-ESI-QQ; MS2 +RECORD_TITLE: Hirsutrin, 3-Glucosylquercetin, quercetin-3-O-beta-glucopyranoside, Quercetin-3-glucoside, Isoquercetin, 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Glc, Isotrifoliin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280804 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043312.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043312.txt index 213548349cc..383fb9503de 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043312.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043312.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043312 -RECORD_TITLE: Hirsutrin, 3-Glucosylquercetin, quercetin-3-O-beta-glucopyranoside, Quercetin-3-glucoside, Isoquercetin, 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Glc, Isotrifoliin; LC-ESI-QQ; MS2 +RECORD_TITLE: Hirsutrin, 3-Glucosylquercetin, quercetin-3-O-beta-glucopyranoside, Quercetin-3-glucoside, Isoquercetin, 2-(3,4-Dihidroxyphenyl)-3-(beta-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Quer-3-Glc, Isotrifoliin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280804 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043501.txt index dae16020c5e..62b8a17c0bb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043501 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043502.txt index 55c19f1c701..8d902f8f5e5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043502 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043503.txt index 45316e450a0..5ddf76a9641 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043503 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043504.txt index 7a5ce528be4..6002e666938 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043504 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043505.txt index 875f45d78f4..674a69a45f5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043505 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043506.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043506.txt index a902302a1ff..ac0455d1889 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043506.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043506 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043507.txt index c213c8c9e55..9d6e01d9442 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043507 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043508.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043508.txt index 6de7292d4e1..f97cdda4c01 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043508.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043508 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043509.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043509.txt index e35f754c8db..96d73232c9a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043509.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043509.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043509 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043510.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043510.txt index 81169929a68..6d102771336 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043510.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043510.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043510 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043511.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043511.txt index 0fb117cb876..23bab61e009 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043511.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043511.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043511 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043602.txt index 0b23c8ac914..e94f0d68a3e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043602 -RECORD_TITLE: L-Hexahydrothymol, Menthyl alcohol, L-menthol, (1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol, 5-Methyl-2-(1-methylethyl)cyclohexanol, L-p-Menthan-3-ol; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Hexahydrothymol, Menthyl alcohol, L-menthol, (1R,2S,5R)-2-Isopropyl-5-methylcyclohexanol, 5-Methyl-2-(1-methylethyl)cyclohexanol, L-p-Menthan-3-ol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:16666 CH$LINK: INCHIKEY NOOLISFMXDJSKH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001549; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043801.txt index f6db0374d27..d17abd76e80 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043801 -RECORD_TITLE: 4'-hydroxyisoflavone-7-O-glucoside, Daidzein-7-O-glucoside, Daidzoside, Cannabiscetin, Daidzin, Ddzi, 7,4'-Dihydroxyisoflavone 7-glucoside, Glucosyl-7-daidzein; LC-ESI-QQ; MS2 +RECORD_TITLE: 4'-hydroxyisoflavone-7-O-glucoside, Daidzein-7-O-glucoside, Daidzoside, Cannabiscetin, Daidzin, Ddzi, 7,4'-Dihydroxyisoflavone 7-glucoside, Glucosyl-7-daidzein; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:107971 CH$LINK: INCHIKEY KYQZWONCHDNPDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000507; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid O-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043802.txt index 49c40efaebe..975f7793152 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043802 -RECORD_TITLE: 4'-hydroxyisoflavone-7-O-glucoside, Daidzein-7-O-glucoside, Daidzoside, Cannabiscetin, Daidzin, Ddzi, 7,4'-Dihydroxyisoflavone 7-glucoside, Glucosyl-7-daidzein; LC-ESI-QQ; MS2 +RECORD_TITLE: 4'-hydroxyisoflavone-7-O-glucoside, Daidzein-7-O-glucoside, Daidzoside, Cannabiscetin, Daidzin, Ddzi, 7,4'-Dihydroxyisoflavone 7-glucoside, Glucosyl-7-daidzein; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:107971 CH$LINK: INCHIKEY KYQZWONCHDNPDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000507; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid O-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043803.txt index 6b59dd26d5f..6f1e9d8c1b3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043803 -RECORD_TITLE: 4'-hydroxyisoflavone-7-O-glucoside, Daidzein-7-O-glucoside, Daidzoside, Cannabiscetin, Daidzin, Ddzi, 7,4'-Dihydroxyisoflavone 7-glucoside, Glucosyl-7-daidzein; LC-ESI-QQ; MS2 +RECORD_TITLE: 4'-hydroxyisoflavone-7-O-glucoside, Daidzein-7-O-glucoside, Daidzoside, Cannabiscetin, Daidzin, Ddzi, 7,4'-Dihydroxyisoflavone 7-glucoside, Glucosyl-7-daidzein; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:107971 CH$LINK: INCHIKEY KYQZWONCHDNPDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000507; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid O-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043804.txt index 19b12e5b984..c272cadc442 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043804 -RECORD_TITLE: 4'-hydroxyisoflavone-7-O-glucoside, Daidzein-7-O-glucoside, Daidzoside, Cannabiscetin, Daidzin, Ddzi, 7,4'-Dihydroxyisoflavone 7-glucoside, Glucosyl-7-daidzein; LC-ESI-QQ; MS2 +RECORD_TITLE: 4'-hydroxyisoflavone-7-O-glucoside, Daidzein-7-O-glucoside, Daidzoside, Cannabiscetin, Daidzin, Ddzi, 7,4'-Dihydroxyisoflavone 7-glucoside, Glucosyl-7-daidzein; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:107971 CH$LINK: INCHIKEY KYQZWONCHDNPDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000507; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid O-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043805.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043805.txt index 4ac07f65bf4..e4def0403a7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043805.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043805 -RECORD_TITLE: 4'-hydroxyisoflavone-7-O-glucoside, Daidzein-7-O-glucoside, Daidzoside, Cannabiscetin, Daidzin, Ddzi, 7,4'-Dihydroxyisoflavone 7-glucoside, Glucosyl-7-daidzein; LC-ESI-QQ; MS2 +RECORD_TITLE: 4'-hydroxyisoflavone-7-O-glucoside, Daidzein-7-O-glucoside, Daidzoside, Cannabiscetin, Daidzin, Ddzi, 7,4'-Dihydroxyisoflavone 7-glucoside, Glucosyl-7-daidzein; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:107971 CH$LINK: INCHIKEY KYQZWONCHDNPDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000507; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid O-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043806.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043806.txt index b6a40fd7ce7..ef23c6dec3d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043806.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043806.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043806 -RECORD_TITLE: 4'-hydroxyisoflavone-7-O-glucoside, Daidzein-7-O-glucoside, Daidzoside, Cannabiscetin, Daidzin, Ddzi, 7,4'-Dihydroxyisoflavone 7-glucoside, Glucosyl-7-daidzein; LC-ESI-QQ; MS2 +RECORD_TITLE: 4'-hydroxyisoflavone-7-O-glucoside, Daidzein-7-O-glucoside, Daidzoside, Cannabiscetin, Daidzin, Ddzi, 7,4'-Dihydroxyisoflavone 7-glucoside, Glucosyl-7-daidzein; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:107971 CH$LINK: INCHIKEY KYQZWONCHDNPDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000507; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid O-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043807.txt index eb6eb94a9a4..a7e5e9e53ca 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043807 -RECORD_TITLE: 4'-hydroxyisoflavone-7-O-glucoside, Daidzein-7-O-glucoside, Daidzoside, Cannabiscetin, Daidzin, Ddzi, 7,4'-Dihydroxyisoflavone 7-glucoside, Glucosyl-7-daidzein; LC-ESI-QQ; MS2 +RECORD_TITLE: 4'-hydroxyisoflavone-7-O-glucoside, Daidzein-7-O-glucoside, Daidzoside, Cannabiscetin, Daidzin, Ddzi, 7,4'-Dihydroxyisoflavone 7-glucoside, Glucosyl-7-daidzein; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:107971 CH$LINK: INCHIKEY KYQZWONCHDNPDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000507; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid O-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043808.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043808.txt index 21a957f27cd..660b92e23e6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043808.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043808 -RECORD_TITLE: 4'-hydroxyisoflavone-7-O-glucoside, Daidzein-7-O-glucoside, Daidzoside, Cannabiscetin, Daidzin, Ddzi, 7,4'-Dihydroxyisoflavone 7-glucoside, Glucosyl-7-daidzein; LC-ESI-QQ; MS2 +RECORD_TITLE: 4'-hydroxyisoflavone-7-O-glucoside, Daidzein-7-O-glucoside, Daidzoside, Cannabiscetin, Daidzin, Ddzi, 7,4'-Dihydroxyisoflavone 7-glucoside, Glucosyl-7-daidzein; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:107971 CH$LINK: INCHIKEY KYQZWONCHDNPDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000507; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid O-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043809.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043809.txt index f87b1888e3a..5949c9a87fb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043809.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043809.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043809 -RECORD_TITLE: 4'-hydroxyisoflavone-7-O-glucoside, Daidzein-7-O-glucoside, Daidzoside, Cannabiscetin, Daidzin, Ddzi, 7,4'-Dihydroxyisoflavone 7-glucoside, Glucosyl-7-daidzein; LC-ESI-QQ; MS2 +RECORD_TITLE: 4'-hydroxyisoflavone-7-O-glucoside, Daidzein-7-O-glucoside, Daidzoside, Cannabiscetin, Daidzin, Ddzi, 7,4'-Dihydroxyisoflavone 7-glucoside, Glucosyl-7-daidzein; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:107971 CH$LINK: INCHIKEY KYQZWONCHDNPDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000507; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid O-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043810.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043810.txt index 1cd4e21dc29..a348820ff53 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043810.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043810.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043810 -RECORD_TITLE: 4'-hydroxyisoflavone-7-O-glucoside, Daidzein-7-O-glucoside, Daidzoside, Cannabiscetin, Daidzin, Ddzi, 7,4'-Dihydroxyisoflavone 7-glucoside, Glucosyl-7-daidzein; LC-ESI-QQ; MS2 +RECORD_TITLE: 4'-hydroxyisoflavone-7-O-glucoside, Daidzein-7-O-glucoside, Daidzoside, Cannabiscetin, Daidzin, Ddzi, 7,4'-Dihydroxyisoflavone 7-glucoside, Glucosyl-7-daidzein; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:107971 CH$LINK: INCHIKEY KYQZWONCHDNPDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000507; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid O-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043811.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043811.txt index 304ed5b9024..a87401f9a8e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043811.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS043811.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS043811 -RECORD_TITLE: 4'-hydroxyisoflavone-7-O-glucoside, Daidzein-7-O-glucoside, Daidzoside, Cannabiscetin, Daidzin, Ddzi, 7,4'-Dihydroxyisoflavone 7-glucoside, Glucosyl-7-daidzein; LC-ESI-QQ; MS2 +RECORD_TITLE: 4'-hydroxyisoflavone-7-O-glucoside, Daidzein-7-O-glucoside, Daidzoside, Cannabiscetin, Daidzin, Ddzi, 7,4'-Dihydroxyisoflavone 7-glucoside, Glucosyl-7-daidzein; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:107971 CH$LINK: INCHIKEY KYQZWONCHDNPDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000507; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid O-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044001.txt index e0107890c61..d08ab539973 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044001 -RECORD_TITLE: Glycyrrhizin, glycyrrhizic Acid, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycyrrhizin, glycyrrhizic Acid, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:14982 CH$LINK: INCHIKEY LPLVUJXQOOQHMX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044002.txt index 34808e35c80..de3f86aef7f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044002 -RECORD_TITLE: Glycyrrhizin, glycyrrhizic Acid, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycyrrhizin, glycyrrhizic Acid, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:14982 CH$LINK: INCHIKEY LPLVUJXQOOQHMX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044003.txt index 111cfdd37b1..2e53be843a3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044003 -RECORD_TITLE: Glycyrrhizin, glycyrrhizic Acid, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycyrrhizin, glycyrrhizic Acid, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:14982 CH$LINK: INCHIKEY LPLVUJXQOOQHMX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044004.txt index c8a9218824d..e40ec843a59 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044004 -RECORD_TITLE: Glycyrrhizin, glycyrrhizic Acid, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycyrrhizin, glycyrrhizic Acid, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:14982 CH$LINK: INCHIKEY LPLVUJXQOOQHMX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044005.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044005.txt index e348af0a819..22d38502303 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044005.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044005 -RECORD_TITLE: Glycyrrhizin, glycyrrhizic Acid, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycyrrhizin, glycyrrhizic Acid, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:14982 CH$LINK: INCHIKEY LPLVUJXQOOQHMX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044006.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044006.txt index e6d484e8962..931a82827df 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044006.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044006.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044006 -RECORD_TITLE: Glycyrrhizin, glycyrrhizic Acid, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycyrrhizin, glycyrrhizic Acid, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:14982 CH$LINK: INCHIKEY LPLVUJXQOOQHMX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044007.txt index 96cdc722810..a91b8559ba9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044007 -RECORD_TITLE: Glycyrrhizin, glycyrrhizic Acid, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycyrrhizin, glycyrrhizic Acid, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:14982 CH$LINK: INCHIKEY LPLVUJXQOOQHMX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044008.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044008.txt index 08933572323..f077f7a6ceb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044008.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044008 -RECORD_TITLE: Glycyrrhizin, glycyrrhizic Acid, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycyrrhizin, glycyrrhizic Acid, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:14982 CH$LINK: INCHIKEY LPLVUJXQOOQHMX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044009.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044009.txt index 514159ccf58..37a52861441 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044009.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044009 -RECORD_TITLE: Glycyrrhizin, glycyrrhizic Acid, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycyrrhizin, glycyrrhizic Acid, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:14982 CH$LINK: INCHIKEY LPLVUJXQOOQHMX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044010.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044010.txt index 4128ba0fc84..e1b077a8676 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044010.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044010.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044010 -RECORD_TITLE: Glycyrrhizin, glycyrrhizic Acid, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycyrrhizin, glycyrrhizic Acid, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:14982 CH$LINK: INCHIKEY LPLVUJXQOOQHMX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044011.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044011.txt index c9b0dff0b08..85dc944c1be 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044011.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044011.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044011 -RECORD_TITLE: Glycyrrhizin, glycyrrhizic Acid, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycyrrhizin, glycyrrhizic Acid, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:14982 CH$LINK: INCHIKEY LPLVUJXQOOQHMX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044012.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044012.txt index 5ed932d9440..517e58c4bc7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044012.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044012.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044012 -RECORD_TITLE: Glycyrrhizin, glycyrrhizic Acid, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycyrrhizin, glycyrrhizic Acid, 3-O-(2-O-beta-D-Glucopyranuronosyl-alpha-D-glucopyranuronosyl)-18beta-glycyrrhetinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:14982 CH$LINK: INCHIKEY LPLVUJXQOOQHMX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002049; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Terpene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044101.txt index d7e34fa769a..525d0698668 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044101 -RECORD_TITLE: 8-(4-hydroxy-3-methoxybenzyl)carbamoyl-8-methyl-5-octane, 8-methyl-N-vanillyl-6-nonenamide, Capsaicin; LC-ESI-QQ; MS2 +RECORD_TITLE: 8-(4-hydroxy-3-methoxybenzyl)carbamoyl-8-methyl-5-octane, 8-methyl-N-vanillyl-6-nonenamide, Capsaicin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:1548943 CH$LINK: INCHIKEY YKPUWZUDDOIDPM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044102.txt index c70c2cafb34..c8338c065e6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044102 -RECORD_TITLE: 8-(4-hydroxy-3-methoxybenzyl)carbamoyl-8-methyl-5-octane, 8-methyl-N-vanillyl-6-nonenamide, Capsaicin; LC-ESI-QQ; MS2 +RECORD_TITLE: 8-(4-hydroxy-3-methoxybenzyl)carbamoyl-8-methyl-5-octane, 8-methyl-N-vanillyl-6-nonenamide, Capsaicin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:1548943 CH$LINK: INCHIKEY YKPUWZUDDOIDPM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044103.txt index e705e604548..0f12c763ed2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044103 -RECORD_TITLE: 8-(4-hydroxy-3-methoxybenzyl)carbamoyl-8-methyl-5-octane, 8-methyl-N-vanillyl-6-nonenamide, Capsaicin; LC-ESI-QQ; MS2 +RECORD_TITLE: 8-(4-hydroxy-3-methoxybenzyl)carbamoyl-8-methyl-5-octane, 8-methyl-N-vanillyl-6-nonenamide, Capsaicin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:1548943 CH$LINK: INCHIKEY YKPUWZUDDOIDPM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044104.txt index 9d68da01582..3bd3f44c4c0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044104 -RECORD_TITLE: 8-(4-hydroxy-3-methoxybenzyl)carbamoyl-8-methyl-5-octane, 8-methyl-N-vanillyl-6-nonenamide, Capsaicin; LC-ESI-QQ; MS2 +RECORD_TITLE: 8-(4-hydroxy-3-methoxybenzyl)carbamoyl-8-methyl-5-octane, 8-methyl-N-vanillyl-6-nonenamide, Capsaicin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:1548943 CH$LINK: INCHIKEY YKPUWZUDDOIDPM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044105.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044105.txt index 1304ba38094..f6c732c92a3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044105.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044105 -RECORD_TITLE: 8-(4-hydroxy-3-methoxybenzyl)carbamoyl-8-methyl-5-octane, 8-methyl-N-vanillyl-6-nonenamide, Capsaicin; LC-ESI-QQ; MS2 +RECORD_TITLE: 8-(4-hydroxy-3-methoxybenzyl)carbamoyl-8-methyl-5-octane, 8-methyl-N-vanillyl-6-nonenamide, Capsaicin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:1548943 CH$LINK: INCHIKEY YKPUWZUDDOIDPM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044106.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044106.txt index 842f5820986..456a8f2523f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044106.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044106 -RECORD_TITLE: 8-(4-hydroxy-3-methoxybenzyl)carbamoyl-8-methyl-5-octane, 8-methyl-N-vanillyl-6-nonenamide, Capsaicin; LC-ESI-QQ; MS2 +RECORD_TITLE: 8-(4-hydroxy-3-methoxybenzyl)carbamoyl-8-methyl-5-octane, 8-methyl-N-vanillyl-6-nonenamide, Capsaicin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:1548943 CH$LINK: INCHIKEY YKPUWZUDDOIDPM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044201.txt index 49e3c851513..45cd8e65430 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044201 -RECORD_TITLE: 8-Methyl-N-vanillylnonanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-nonanamide, Dihydrocapsacine, Dihydrocapsaicin; LC-ESI-QQ; MS2 +RECORD_TITLE: 8-Methyl-N-vanillylnonanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-nonanamide, Dihydrocapsacine, Dihydrocapsaicin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:107982 CH$LINK: INCHIKEY XJQPQKLURWNAAH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044202.txt index 430158c2f7c..7b60c3beee3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044202 -RECORD_TITLE: 8-Methyl-N-vanillylnonanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-nonanamide, Dihydrocapsacine, Dihydrocapsaicin; LC-ESI-QQ; MS2 +RECORD_TITLE: 8-Methyl-N-vanillylnonanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-nonanamide, Dihydrocapsacine, Dihydrocapsaicin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:107982 CH$LINK: INCHIKEY XJQPQKLURWNAAH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044203.txt index 3d07222c241..00e4589448b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044203 -RECORD_TITLE: 8-Methyl-N-vanillylnonanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-nonanamide, Dihydrocapsacine, Dihydrocapsaicin; LC-ESI-QQ; MS2 +RECORD_TITLE: 8-Methyl-N-vanillylnonanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-nonanamide, Dihydrocapsacine, Dihydrocapsaicin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:107982 CH$LINK: INCHIKEY XJQPQKLURWNAAH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044204.txt index 950d12b77df..970c2580e6f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044204 -RECORD_TITLE: 8-Methyl-N-vanillylnonanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-nonanamide, Dihydrocapsacine, Dihydrocapsaicin; LC-ESI-QQ; MS2 +RECORD_TITLE: 8-Methyl-N-vanillylnonanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-nonanamide, Dihydrocapsacine, Dihydrocapsaicin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:107982 CH$LINK: INCHIKEY XJQPQKLURWNAAH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044205.txt index 09872e0a9f9..32873d81fe9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044205 -RECORD_TITLE: 8-Methyl-N-vanillylnonanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-nonanamide, Dihydrocapsacine, Dihydrocapsaicin; LC-ESI-QQ; MS2 +RECORD_TITLE: 8-Methyl-N-vanillylnonanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-nonanamide, Dihydrocapsacine, Dihydrocapsaicin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:107982 CH$LINK: INCHIKEY XJQPQKLURWNAAH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044206.txt index 781ed2f446b..712e25da0f7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044206 -RECORD_TITLE: 8-Methyl-N-vanillylnonanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-nonanamide, Dihydrocapsacine, Dihydrocapsaicin; LC-ESI-QQ; MS2 +RECORD_TITLE: 8-Methyl-N-vanillylnonanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-nonanamide, Dihydrocapsacine, Dihydrocapsaicin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:107982 CH$LINK: INCHIKEY XJQPQKLURWNAAH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044601.txt index 0283dc878f0..6f868bfce51 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044601 -RECORD_TITLE: trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:689043 CH$LINK: INCHIKEY QAIPRVGONGVQAS-DUXPYHPUSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044602.txt index a4c9977ab62..9fa87dddb40 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044602 -RECORD_TITLE: trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:689043 CH$LINK: INCHIKEY QAIPRVGONGVQAS-DUXPYHPUSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044607.txt index 9abd881afcd..f8d9a2cd049 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044607 -RECORD_TITLE: trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:689043 CH$LINK: INCHIKEY QAIPRVGONGVQAS-DUXPYHPUSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044608.txt index 1f85364302d..cc97da424ba 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044608 -RECORD_TITLE: trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:689043 CH$LINK: INCHIKEY QAIPRVGONGVQAS-DUXPYHPUSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044609.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044609.txt index 2085ea253e8..3dcff6e0197 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044609.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044609.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044609 -RECORD_TITLE: trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-Caffeate, 3,4-Dihydroxybenzeneacrylic acid, Caffeic acid, 3,4-Dihydroxycinnamic acid, 3-(3,4-Dihydroxyphenyl)propenoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:689043 CH$LINK: INCHIKEY QAIPRVGONGVQAS-DUXPYHPUSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044701.txt index 345c8e51a97..d70c4fecd59 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044701 -RECORD_TITLE: trans-3-Phenylacrylic acid, trans-Cinnamic acid, trans-beta-Carboxystyrene, 3-Phenylpropenoic Acid, Zimtsaeure, trans-3-Benzenepropenoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-3-Phenylacrylic acid, trans-Cinnamic acid, trans-beta-Carboxystyrene, 3-Phenylpropenoic Acid, Zimtsaeure, trans-3-Benzenepropenoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:444539 CH$LINK: INCHIKEY WBYWAXJHAXSJNI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002504; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Cinnamic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044704.txt index 065048cfe8c..b9bf22e2ed8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044704 -RECORD_TITLE: trans-3-Phenylacrylic acid, trans-Cinnamic acid, trans-beta-Carboxystyrene, 3-Phenylpropenoic Acid, Zimtsaeure, trans-3-Benzenepropenoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-3-Phenylacrylic acid, trans-Cinnamic acid, trans-beta-Carboxystyrene, 3-Phenylpropenoic Acid, Zimtsaeure, trans-3-Benzenepropenoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:444539 CH$LINK: INCHIKEY WBYWAXJHAXSJNI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002504; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Cinnamic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044801.txt index 269e173e758..ab11892e0f2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS044801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS044801 -RECORD_TITLE: trans-Cinnamyl alcohol, Styryl alcohol, Zimtalcohol, Styrone, (E)-cinnamyl alcohol, cinnamic alcohol, 3-Phenyl-2-propenol, Styrylcarbinol, 3-Phenylallyl alcohol, Styryl carbinol, 3-Phenyl-2-propen-1-ol; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-Cinnamyl alcohol, Styryl alcohol, Zimtalcohol, Styrone, (E)-cinnamyl alcohol, cinnamic alcohol, 3-Phenyl-2-propenol, Styrylcarbinol, 3-Phenylallyl alcohol, Styryl carbinol, 3-Phenyl-2-propen-1-ol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5315892 CH$LINK: INCHIKEY OOCCDEMITAIZTP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002754; Organic compounds; Phenylpropanoids and polyketides; Cinnamyl alcohols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045101.txt index 41f0535dee0..526d32ac90c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045101 -RECORD_TITLE: trans-4-hydroxycinnamic acid, 4-Coumaric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-4-hydroxycinnamic acid, 4-Coumaric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:637542 CH$LINK: INCHIKEY NGSWKAQJJWESNS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045102.txt index d5987e56335..6847a837fd8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045102 -RECORD_TITLE: trans-4-hydroxycinnamic acid, 4-Coumaric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-4-hydroxycinnamic acid, 4-Coumaric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:637542 CH$LINK: INCHIKEY NGSWKAQJJWESNS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045104.txt index 71064fd646a..86725c6458f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045104 -RECORD_TITLE: trans-4-hydroxycinnamic acid, 4-Coumaric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-4-hydroxycinnamic acid, 4-Coumaric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:637542 CH$LINK: INCHIKEY NGSWKAQJJWESNS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045107.txt index 5ec487177a7..9710f442a5f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045107 -RECORD_TITLE: trans-4-hydroxycinnamic acid, 4-Coumaric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-4-hydroxycinnamic acid, 4-Coumaric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:637542 CH$LINK: INCHIKEY NGSWKAQJJWESNS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045108.txt index 9f5cc49e1da..50987f0942a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045108 -RECORD_TITLE: trans-4-hydroxycinnamic acid, 4-Coumaric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-4-hydroxycinnamic acid, 4-Coumaric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:637542 CH$LINK: INCHIKEY NGSWKAQJJWESNS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045109.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045109.txt index 19ea192a3e9..78040a9c594 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045109.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045109 -RECORD_TITLE: trans-4-hydroxycinnamic acid, 4-Coumaric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-4-hydroxycinnamic acid, 4-Coumaric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:637542 CH$LINK: INCHIKEY NGSWKAQJJWESNS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045201.txt index 804d7ad9b99..a6ded63ee3a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045201 -RECORD_TITLE: Rosemary acid, rosmarinic acid, Rosmarinate, (R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4- dihydroxyphenyl)lactic acid, 7-Hydroxy-PIPAT; LC-ESI-QQ; MS2 +RECORD_TITLE: Rosemary acid, rosmarinic acid, Rosmarinate, (R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4- dihydroxyphenyl)lactic acid, 7-Hydroxy-PIPAT; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:639655 CH$LINK: INCHIKEY DOUMFZQKYFQNTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045202.txt index 0f58c7c7074..67a4f2bfc86 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045202 -RECORD_TITLE: Rosemary acid, rosmarinic acid, Rosmarinate, (R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4- dihydroxyphenyl)lactic acid, 7-Hydroxy-PIPAT; LC-ESI-QQ; MS2 +RECORD_TITLE: Rosemary acid, rosmarinic acid, Rosmarinate, (R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4- dihydroxyphenyl)lactic acid, 7-Hydroxy-PIPAT; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:639655 CH$LINK: INCHIKEY DOUMFZQKYFQNTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045203.txt index dfb89829124..23c72a5a6b6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045203 -RECORD_TITLE: Rosemary acid, rosmarinic acid, Rosmarinate, (R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4- dihydroxyphenyl)lactic acid, 7-Hydroxy-PIPAT; LC-ESI-QQ; MS2 +RECORD_TITLE: Rosemary acid, rosmarinic acid, Rosmarinate, (R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4- dihydroxyphenyl)lactic acid, 7-Hydroxy-PIPAT; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:639655 CH$LINK: INCHIKEY DOUMFZQKYFQNTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045204.txt index fe8df113bac..1c0a3c45c4a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045204 -RECORD_TITLE: Rosemary acid, rosmarinic acid, Rosmarinate, (R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4- dihydroxyphenyl)lactic acid, 7-Hydroxy-PIPAT; LC-ESI-QQ; MS2 +RECORD_TITLE: Rosemary acid, rosmarinic acid, Rosmarinate, (R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4- dihydroxyphenyl)lactic acid, 7-Hydroxy-PIPAT; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:639655 CH$LINK: INCHIKEY DOUMFZQKYFQNTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045207.txt index e6b1f3b8cce..e2ebfd15f58 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045207 -RECORD_TITLE: Rosemary acid, rosmarinic acid, Rosmarinate, (R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4- dihydroxyphenyl)lactic acid, 7-Hydroxy-PIPAT; LC-ESI-QQ; MS2 +RECORD_TITLE: Rosemary acid, rosmarinic acid, Rosmarinate, (R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4- dihydroxyphenyl)lactic acid, 7-Hydroxy-PIPAT; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:639655 CH$LINK: INCHIKEY DOUMFZQKYFQNTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045208.txt index a60dad49cf9..f79f1ac64e0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045208 -RECORD_TITLE: Rosemary acid, rosmarinic acid, Rosmarinate, (R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4- dihydroxyphenyl)lactic acid, 7-Hydroxy-PIPAT; LC-ESI-QQ; MS2 +RECORD_TITLE: Rosemary acid, rosmarinic acid, Rosmarinate, (R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4- dihydroxyphenyl)lactic acid, 7-Hydroxy-PIPAT; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:639655 CH$LINK: INCHIKEY DOUMFZQKYFQNTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045209.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045209.txt index f6f2d359b4a..1769f55dbf3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045209.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045209 -RECORD_TITLE: Rosemary acid, rosmarinic acid, Rosmarinate, (R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4- dihydroxyphenyl)lactic acid, 7-Hydroxy-PIPAT; LC-ESI-QQ; MS2 +RECORD_TITLE: Rosemary acid, rosmarinic acid, Rosmarinate, (R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4- dihydroxyphenyl)lactic acid, 7-Hydroxy-PIPAT; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:639655 CH$LINK: INCHIKEY DOUMFZQKYFQNTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045210.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045210.txt index 1ed77ddcdfb..f1edd959812 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045210.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045210.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045210 -RECORD_TITLE: Rosemary acid, rosmarinic acid, Rosmarinate, (R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4- dihydroxyphenyl)lactic acid, 7-Hydroxy-PIPAT; LC-ESI-QQ; MS2 +RECORD_TITLE: Rosemary acid, rosmarinic acid, Rosmarinate, (R)-O-(3,4-Dihydroxycinnamoyl)-3-(3,4- dihydroxyphenyl)lactic acid, 7-Hydroxy-PIPAT; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:639655 CH$LINK: INCHIKEY DOUMFZQKYFQNTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045301.txt index e253f9228a0..55c4de102e0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045301 -RECORD_TITLE: 4-Hydroxy-3,5-dimethoxy-cinnamic acid, SA, Sinapate, Sinapic acid, Sin, 3,5-dimethoxy-4-hydroxycinnamic acid, Sinapinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Hydroxy-3,5-dimethoxy-cinnamic acid, SA, Sinapate, Sinapic acid, Sin, 3,5-dimethoxy-4-hydroxycinnamic acid, Sinapinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:637775 CH$LINK: INCHIKEY PCMORTLOPMLEFB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045302.txt index 7f91c9022d9..3a49e79a37f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045302 -RECORD_TITLE: 4-Hydroxy-3,5-dimethoxy-cinnamic acid, SA, Sinapate, Sinapic acid, Sin, 3,5-dimethoxy-4-hydroxycinnamic acid, Sinapinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Hydroxy-3,5-dimethoxy-cinnamic acid, SA, Sinapate, Sinapic acid, Sin, 3,5-dimethoxy-4-hydroxycinnamic acid, Sinapinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:637775 CH$LINK: INCHIKEY PCMORTLOPMLEFB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045307.txt index d39748b3389..70b2446ca2e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045307 -RECORD_TITLE: 4-Hydroxy-3,5-dimethoxy-cinnamic acid, SA, Sinapate, Sinapic acid, Sin, 3,5-dimethoxy-4-hydroxycinnamic acid, Sinapinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Hydroxy-3,5-dimethoxy-cinnamic acid, SA, Sinapate, Sinapic acid, Sin, 3,5-dimethoxy-4-hydroxycinnamic acid, Sinapinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:637775 CH$LINK: INCHIKEY PCMORTLOPMLEFB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045401.txt index 07534f23e3c..6d26500ac1e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045401 -RECORD_TITLE: Rutin; LC-ESI-QQ; MS2 +RECORD_TITLE: Rutin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -50,7 +50,7 @@ CH$LINK: PUBCHEM CID:5280805 CH$LINK: INCHIKEY IKGXIBQEEMLURG-NVPNHPEKSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045402.txt index 65c8985828a..b4b3c2b1335 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045402 -RECORD_TITLE: Rutin; LC-ESI-QQ; MS2 +RECORD_TITLE: Rutin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -50,7 +50,7 @@ CH$LINK: PUBCHEM CID:5280805 CH$LINK: INCHIKEY IKGXIBQEEMLURG-NVPNHPEKSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045403.txt index 6c72696331c..b6e02e227e1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045403 -RECORD_TITLE: Rutin; LC-ESI-QQ; MS2 +RECORD_TITLE: Rutin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -50,7 +50,7 @@ CH$LINK: PUBCHEM CID:5280805 CH$LINK: INCHIKEY IKGXIBQEEMLURG-NVPNHPEKSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045404.txt index 225aca4393e..5e91c5bb74f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045404 -RECORD_TITLE: Rutin; LC-ESI-QQ; MS2 +RECORD_TITLE: Rutin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -50,7 +50,7 @@ CH$LINK: PUBCHEM CID:5280805 CH$LINK: INCHIKEY IKGXIBQEEMLURG-NVPNHPEKSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045405.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045405.txt index 1027e67c20c..1838cd81cea 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045405.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045405 -RECORD_TITLE: Rutin; LC-ESI-QQ; MS2 +RECORD_TITLE: Rutin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -50,7 +50,7 @@ CH$LINK: PUBCHEM CID:5280805 CH$LINK: INCHIKEY IKGXIBQEEMLURG-NVPNHPEKSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045406.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045406.txt index 5409574fdec..af032dfaa0e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045406.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045406.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045406 -RECORD_TITLE: Rutin; LC-ESI-QQ; MS2 +RECORD_TITLE: Rutin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -50,7 +50,7 @@ CH$LINK: PUBCHEM CID:5280805 CH$LINK: INCHIKEY IKGXIBQEEMLURG-NVPNHPEKSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045407.txt index 6dfd44d9a1e..1c4732ab1d8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045407 -RECORD_TITLE: Rutin; LC-ESI-QQ; MS2 +RECORD_TITLE: Rutin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -50,7 +50,7 @@ CH$LINK: PUBCHEM CID:5280805 CH$LINK: INCHIKEY IKGXIBQEEMLURG-NVPNHPEKSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045408.txt index 5de424406e7..81ec7d376e3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045408 -RECORD_TITLE: Rutin; LC-ESI-QQ; MS2 +RECORD_TITLE: Rutin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -50,7 +50,7 @@ CH$LINK: PUBCHEM CID:5280805 CH$LINK: INCHIKEY IKGXIBQEEMLURG-NVPNHPEKSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045409.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045409.txt index f7ee51c36be..0bf76daafd7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045409.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045409 -RECORD_TITLE: Rutin; LC-ESI-QQ; MS2 +RECORD_TITLE: Rutin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -50,7 +50,7 @@ CH$LINK: PUBCHEM CID:5280805 CH$LINK: INCHIKEY IKGXIBQEEMLURG-NVPNHPEKSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045410.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045410.txt index 690c48db827..3ca76b49abc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045410.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045410.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045410 -RECORD_TITLE: Rutin; LC-ESI-QQ; MS2 +RECORD_TITLE: Rutin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -50,7 +50,7 @@ CH$LINK: PUBCHEM CID:5280805 CH$LINK: INCHIKEY IKGXIBQEEMLURG-NVPNHPEKSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045411.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045411.txt index 9eaa54ab575..864a0a5dcd9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045411.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045411.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045411 -RECORD_TITLE: Rutin; LC-ESI-QQ; MS2 +RECORD_TITLE: Rutin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -50,7 +50,7 @@ CH$LINK: PUBCHEM CID:5280805 CH$LINK: INCHIKEY IKGXIBQEEMLURG-NVPNHPEKSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045412.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045412.txt index 0e5db626de6..d020b496cdb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045412.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045412.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045412 -RECORD_TITLE: Rutin; LC-ESI-QQ; MS2 +RECORD_TITLE: Rutin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -50,7 +50,7 @@ CH$LINK: PUBCHEM CID:5280805 CH$LINK: INCHIKEY IKGXIBQEEMLURG-NVPNHPEKSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045501.txt index e2beba80958..2bae07f5db5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045501 -RECORD_TITLE: Cianidanol; LC-ESI-QQ; MS2 +RECORD_TITLE: Cianidanol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:9064 CH$LINK: INCHIKEY PFTAWBLQPZVEMU-DZGCQCFKSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045502.txt index eaeed56605f..23c7f6fbbbe 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045502 -RECORD_TITLE: Cianidanol; LC-ESI-QQ; MS2 +RECORD_TITLE: Cianidanol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:9064 CH$LINK: INCHIKEY PFTAWBLQPZVEMU-DZGCQCFKSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045503.txt index d78cb7c20b8..a903f5ba552 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045503 -RECORD_TITLE: Cianidanol; LC-ESI-QQ; MS2 +RECORD_TITLE: Cianidanol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:9064 CH$LINK: INCHIKEY PFTAWBLQPZVEMU-DZGCQCFKSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045504.txt index ae6b59f0df9..fe4dfa33ae9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045504 -RECORD_TITLE: Cianidanol; LC-ESI-QQ; MS2 +RECORD_TITLE: Cianidanol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:9064 CH$LINK: INCHIKEY PFTAWBLQPZVEMU-DZGCQCFKSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045507.txt index de49599ba92..1e38fcc1cb3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045507 -RECORD_TITLE: Cianidanol; LC-ESI-QQ; MS2 +RECORD_TITLE: Cianidanol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:9064 CH$LINK: INCHIKEY PFTAWBLQPZVEMU-DZGCQCFKSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045508.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045508.txt index 92d7a71f328..7a968aa33e0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045508.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045508 -RECORD_TITLE: Cianidanol; LC-ESI-QQ; MS2 +RECORD_TITLE: Cianidanol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:9064 CH$LINK: INCHIKEY PFTAWBLQPZVEMU-DZGCQCFKSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045601.txt index 1b43c2119a3..e48f4d077af 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045601 -RECORD_TITLE: (+)-Epicatechin; LC-ESI-QQ; MS2 +RECORD_TITLE: (+)-Epicatechin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:182232 CH$LINK: INCHIKEY PFTAWBLQPZVEMU-ZFWWWQNUSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045602.txt index 5357a6e99dd..c8cc733eeca 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045602 -RECORD_TITLE: (+)-Epicatechin; LC-ESI-QQ; MS2 +RECORD_TITLE: (+)-Epicatechin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:182232 CH$LINK: INCHIKEY PFTAWBLQPZVEMU-ZFWWWQNUSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045603.txt index 2633374f108..e868b0a5e6a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045603 -RECORD_TITLE: (+)-Epicatechin; LC-ESI-QQ; MS2 +RECORD_TITLE: (+)-Epicatechin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:182232 CH$LINK: INCHIKEY PFTAWBLQPZVEMU-ZFWWWQNUSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045604.txt index 8e591c88c8b..6955d386522 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045604 -RECORD_TITLE: (+)-Epicatechin; LC-ESI-QQ; MS2 +RECORD_TITLE: (+)-Epicatechin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:182232 CH$LINK: INCHIKEY PFTAWBLQPZVEMU-ZFWWWQNUSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045605.txt index de004c63122..33b151b413d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045605 -RECORD_TITLE: (+)-Epicatechin; LC-ESI-QQ; MS2 +RECORD_TITLE: (+)-Epicatechin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:182232 CH$LINK: INCHIKEY PFTAWBLQPZVEMU-ZFWWWQNUSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045607.txt index b373bb9528f..49916bf6653 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045607 -RECORD_TITLE: (+)-Epicatechin; LC-ESI-QQ; MS2 +RECORD_TITLE: (+)-Epicatechin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:182232 CH$LINK: INCHIKEY PFTAWBLQPZVEMU-ZFWWWQNUSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045608.txt index 4c4d989ef69..15ba2d17bba 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045608 -RECORD_TITLE: (+)-Epicatechin; LC-ESI-QQ; MS2 +RECORD_TITLE: (+)-Epicatechin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:182232 CH$LINK: INCHIKEY PFTAWBLQPZVEMU-ZFWWWQNUSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045701.txt index aa092ecc892..6230a5d753c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045701 -RECORD_TITLE: (-)-Epicatechin; LC-ESI-QQ; MS2 +RECORD_TITLE: (-)-Epicatechin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:72276 CH$LINK: INCHIKEY PFTAWBLQPZVEMU-UKRRQHHQSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045702.txt index a29b698a7af..ba3db115ce1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045702 -RECORD_TITLE: (-)-Epicatechin; LC-ESI-QQ; MS2 +RECORD_TITLE: (-)-Epicatechin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:72276 CH$LINK: INCHIKEY PFTAWBLQPZVEMU-UKRRQHHQSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045703.txt index 89e16d4fc6a..b3c0103d6c8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045703 -RECORD_TITLE: (-)-Epicatechin; LC-ESI-QQ; MS2 +RECORD_TITLE: (-)-Epicatechin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:72276 CH$LINK: INCHIKEY PFTAWBLQPZVEMU-UKRRQHHQSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045704.txt index 96bbbcbd710..b71679e6347 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045704 -RECORD_TITLE: (-)-Epicatechin; LC-ESI-QQ; MS2 +RECORD_TITLE: (-)-Epicatechin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:72276 CH$LINK: INCHIKEY PFTAWBLQPZVEMU-UKRRQHHQSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045801.txt index 1cbaaa55769..c759afa95de 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045801 -RECORD_TITLE: 4,8'-Bi((+)-epicatechin)), (-)-Epicatechin-(4-beta-8)-(-)-epicatechin, cis,cis'-4,8'-Bi(3,3',4',5,7-pentahydroxyflavane), Procyanidin B2; LC-ESI-QQ; MS2 +RECORD_TITLE: 4,8'-Bi((+)-epicatechin)), (-)-Epicatechin-(4-beta-8)-(-)-epicatechin, cis,cis'-4,8'-Bi(3,3',4',5,7-pentahydroxyflavane), Procyanidin B2; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:122738 CH$LINK: INCHIKEY XFZJEEAOWLFHDH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001586; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Biflavonoids and polyflavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045802.txt index 13ab0a8e0aa..5312a78dd5e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045802 -RECORD_TITLE: 4,8'-Bi((+)-epicatechin)), (-)-Epicatechin-(4-beta-8)-(-)-epicatechin, cis,cis'-4,8'-Bi(3,3',4',5,7-pentahydroxyflavane), Procyanidin B2; LC-ESI-QQ; MS2 +RECORD_TITLE: 4,8'-Bi((+)-epicatechin)), (-)-Epicatechin-(4-beta-8)-(-)-epicatechin, cis,cis'-4,8'-Bi(3,3',4',5,7-pentahydroxyflavane), Procyanidin B2; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:122738 CH$LINK: INCHIKEY XFZJEEAOWLFHDH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001586; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Biflavonoids and polyflavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045807.txt index aa4617938cc..788a369d997 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045807 -RECORD_TITLE: 4,8'-Bi((+)-epicatechin)), (-)-Epicatechin-(4-beta-8)-(-)-epicatechin, cis,cis'-4,8'-Bi(3,3',4',5,7-pentahydroxyflavane), Procyanidin B2; LC-ESI-QQ; MS2 +RECORD_TITLE: 4,8'-Bi((+)-epicatechin)), (-)-Epicatechin-(4-beta-8)-(-)-epicatechin, cis,cis'-4,8'-Bi(3,3',4',5,7-pentahydroxyflavane), Procyanidin B2; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:122738 CH$LINK: INCHIKEY XFZJEEAOWLFHDH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001586; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Biflavonoids and polyflavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045808.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045808.txt index 2dd7670b65e..5e19e01e2eb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045808.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045808 -RECORD_TITLE: 4,8'-Bi((+)-epicatechin)), (-)-Epicatechin-(4-beta-8)-(-)-epicatechin, cis,cis'-4,8'-Bi(3,3',4',5,7-pentahydroxyflavane), Procyanidin B2; LC-ESI-QQ; MS2 +RECORD_TITLE: 4,8'-Bi((+)-epicatechin)), (-)-Epicatechin-(4-beta-8)-(-)-epicatechin, cis,cis'-4,8'-Bi(3,3',4',5,7-pentahydroxyflavane), Procyanidin B2; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:122738 CH$LINK: INCHIKEY XFZJEEAOWLFHDH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001586; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Biflavonoids and polyflavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045810.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045810.txt index db310936725..d9cea2c69a8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045810.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045810.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045810 -RECORD_TITLE: 4,8'-Bi((+)-epicatechin)), (-)-Epicatechin-(4-beta-8)-(-)-epicatechin, cis,cis'-4,8'-Bi(3,3',4',5,7-pentahydroxyflavane), Procyanidin B2; LC-ESI-QQ; MS2 +RECORD_TITLE: 4,8'-Bi((+)-epicatechin)), (-)-Epicatechin-(4-beta-8)-(-)-epicatechin, cis,cis'-4,8'-Bi(3,3',4',5,7-pentahydroxyflavane), Procyanidin B2; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:122738 CH$LINK: INCHIKEY XFZJEEAOWLFHDH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001586; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Biflavonoids and polyflavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045901.txt index 567e63da481..88a4f2e1f4d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045901 -RECORD_TITLE: Procyanidin B1, cis,trans''-4,8''-Bi-(3,3',4',5,7-pentahydroxyflavane), (-)-Epicatechin-(4-beta-8)-(+)-catechin; LC-ESI-QQ; MS2 +RECORD_TITLE: Procyanidin B1, cis,trans''-4,8''-Bi-(3,3',4',5,7-pentahydroxyflavane), (-)-Epicatechin-(4-beta-8)-(+)-catechin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:11250133 CH$LINK: INCHIKEY XFZJEEAOWLFHDH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001586; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Biflavonoids and polyflavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045902.txt index ad9c6d41506..f3510e48c9f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045902 -RECORD_TITLE: Procyanidin B1, cis,trans''-4,8''-Bi-(3,3',4',5,7-pentahydroxyflavane), (-)-Epicatechin-(4-beta-8)-(+)-catechin; LC-ESI-QQ; MS2 +RECORD_TITLE: Procyanidin B1, cis,trans''-4,8''-Bi-(3,3',4',5,7-pentahydroxyflavane), (-)-Epicatechin-(4-beta-8)-(+)-catechin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:11250133 CH$LINK: INCHIKEY XFZJEEAOWLFHDH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001586; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Biflavonoids and polyflavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045905.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045905.txt index b8cb2cd0203..c25a46b436e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045905.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045905 -RECORD_TITLE: Procyanidin B1, cis,trans''-4,8''-Bi-(3,3',4',5,7-pentahydroxyflavane), (-)-Epicatechin-(4-beta-8)-(+)-catechin; LC-ESI-QQ; MS2 +RECORD_TITLE: Procyanidin B1, cis,trans''-4,8''-Bi-(3,3',4',5,7-pentahydroxyflavane), (-)-Epicatechin-(4-beta-8)-(+)-catechin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:11250133 CH$LINK: INCHIKEY XFZJEEAOWLFHDH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001586; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Biflavonoids and polyflavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045907.txt index 1cfd14a71b9..ccaa7cc2ed1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045907 -RECORD_TITLE: Procyanidin B1, cis,trans''-4,8''-Bi-(3,3',4',5,7-pentahydroxyflavane), (-)-Epicatechin-(4-beta-8)-(+)-catechin; LC-ESI-QQ; MS2 +RECORD_TITLE: Procyanidin B1, cis,trans''-4,8''-Bi-(3,3',4',5,7-pentahydroxyflavane), (-)-Epicatechin-(4-beta-8)-(+)-catechin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:11250133 CH$LINK: INCHIKEY XFZJEEAOWLFHDH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001586; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Biflavonoids and polyflavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045908.txt index f738faadbb4..8ba41685113 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS045908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS045908 -RECORD_TITLE: Procyanidin B1, cis,trans''-4,8''-Bi-(3,3',4',5,7-pentahydroxyflavane), (-)-Epicatechin-(4-beta-8)-(+)-catechin; LC-ESI-QQ; MS2 +RECORD_TITLE: Procyanidin B1, cis,trans''-4,8''-Bi-(3,3',4',5,7-pentahydroxyflavane), (-)-Epicatechin-(4-beta-8)-(+)-catechin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:11250133 CH$LINK: INCHIKEY XFZJEEAOWLFHDH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001586; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Biflavonoids and polyflavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046001.txt index 265d6fff404..e2367897124 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046001 -RECORD_TITLE: Kaempferol-3-O-alpha-L-rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-O-alpha-L-rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5316673 CH$LINK: INCHIKEY SOSLMHZOJATCCP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046002.txt index 18ac6c05df3..94d7287bf66 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046002 -RECORD_TITLE: Kaempferol-3-O-alpha-L-rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-O-alpha-L-rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5316673 CH$LINK: INCHIKEY SOSLMHZOJATCCP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046003.txt index eeb0bbe7288..2180e0af3a9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046003 -RECORD_TITLE: Kaempferol-3-O-alpha-L-rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-O-alpha-L-rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5316673 CH$LINK: INCHIKEY SOSLMHZOJATCCP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046004.txt index cafc7b76d09..9f2c94740b1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046004 -RECORD_TITLE: Kaempferol-3-O-alpha-L-rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-O-alpha-L-rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5316673 CH$LINK: INCHIKEY SOSLMHZOJATCCP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046005.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046005.txt index c32c1cedc3f..b2965973c69 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046005.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046005 -RECORD_TITLE: Kaempferol-3-O-alpha-L-rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-O-alpha-L-rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5316673 CH$LINK: INCHIKEY SOSLMHZOJATCCP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046006.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046006.txt index 992e5c855dd..5412fbf7d92 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046006.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046006.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046006 -RECORD_TITLE: Kaempferol-3-O-alpha-L-rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-O-alpha-L-rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5316673 CH$LINK: INCHIKEY SOSLMHZOJATCCP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046007.txt index edddf489837..bcec73ee880 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046007 -RECORD_TITLE: Kaempferol-3-O-alpha-L-rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-O-alpha-L-rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5316673 CH$LINK: INCHIKEY SOSLMHZOJATCCP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046008.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046008.txt index e65dff196c0..ab5e723c303 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046008.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046008 -RECORD_TITLE: Kaempferol-3-O-alpha-L-rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-O-alpha-L-rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5316673 CH$LINK: INCHIKEY SOSLMHZOJATCCP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046009.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046009.txt index 600295af3b2..9813e16edcf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046009.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046009 -RECORD_TITLE: Kaempferol-3-O-alpha-L-rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-O-alpha-L-rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5316673 CH$LINK: INCHIKEY SOSLMHZOJATCCP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046010.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046010.txt index e3e9996761d..34285964795 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046010.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046010.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046010 -RECORD_TITLE: Kaempferol-3-O-alpha-L-rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-O-alpha-L-rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5316673 CH$LINK: INCHIKEY SOSLMHZOJATCCP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046011.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046011.txt index 029bfd3297c..3bd17846f29 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046011.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046011.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046011 -RECORD_TITLE: Kaempferol-3-O-alpha-L-rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-O-alpha-L-rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5316673 CH$LINK: INCHIKEY SOSLMHZOJATCCP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046201.txt index b17ce2cdaf0..13b65773264 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046201 -RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3,7-O-bis-alpha-L-rhamnoside, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3,7-O-bis-alpha-L-rhamnoside, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046202.txt index b07c698005d..ba3fb273353 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046202 -RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3,7-O-bis-alpha-L-rhamnoside, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3,7-O-bis-alpha-L-rhamnoside, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046203.txt index d706ca57535..639e25dca6f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046203 -RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3,7-O-bis-alpha-L-rhamnoside, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3,7-O-bis-alpha-L-rhamnoside, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046204.txt index ac962e27662..95cd25282e8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046204 -RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3,7-O-bis-alpha-L-rhamnoside, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3,7-O-bis-alpha-L-rhamnoside, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046205.txt index 0fad5285fa5..14cb93ffa29 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046205 -RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3,7-O-bis-alpha-L-rhamnoside, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3,7-O-bis-alpha-L-rhamnoside, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046206.txt index de0199ac0d6..7df16f9d924 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046206 -RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3,7-O-bis-alpha-L-rhamnoside, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3,7-O-bis-alpha-L-rhamnoside, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046207.txt index ee86ccb9681..76c55d3bed1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046207 -RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3,7-O-bis-alpha-L-rhamnoside, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3,7-O-bis-alpha-L-rhamnoside, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046208.txt index 9105bbb2819..56ea0ad2238 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046208 -RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3,7-O-bis-alpha-L-rhamnoside, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3,7-O-bis-alpha-L-rhamnoside, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046209.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046209.txt index 84e4dcf2b36..29a528377ec 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046209.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046209 -RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3,7-O-bis-alpha-L-rhamnoside, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3,7-O-bis-alpha-L-rhamnoside, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046210.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046210.txt index 879daaab0a3..6208fd965b9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046210.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046210.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046210 -RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3,7-O-bis-alpha-L-rhamnoside, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3,7-O-bis-alpha-L-rhamnoside, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046211.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046211.txt index b35d3865c7a..529b5942425 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046211.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046211.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046211 -RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3,7-O-bis-alpha-L-rhamnoside, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3,7-O-bis-alpha-L-rhamnoside, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046212.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046212.txt index 91707a6e9c1..65cc446adc1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046212.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046212.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046212 -RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3,7-O-bis-alpha-L-rhamnoside, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3,7-O-bis-alpha-L-rhamnoside, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046501.txt index ef5b89cbc85..22aac67c84a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046501 -RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Quercetin-3-O-beta-D-galactoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Quercetin-3-O-beta-D-galactoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5281643 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046502.txt index 0ce89b57e03..8e95646d43b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046502 -RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Quercetin-3-O-beta-D-galactoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Quercetin-3-O-beta-D-galactoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5281643 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046503.txt index 74d82d5fb1a..5af8a5dca80 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046503 -RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Quercetin-3-O-beta-D-galactoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Quercetin-3-O-beta-D-galactoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5281643 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046504.txt index 135ed4d2d28..9a43d709184 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046504 -RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Quercetin-3-O-beta-D-galactoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Quercetin-3-O-beta-D-galactoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5281643 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046505.txt index df75114b277..61761fd2d18 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046505 -RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Quercetin-3-O-beta-D-galactoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Quercetin-3-O-beta-D-galactoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5281643 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046506.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046506.txt index e8c3da0ec8e..285fecf61d3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046506.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046506 -RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Quercetin-3-O-beta-D-galactoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Quercetin-3-O-beta-D-galactoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5281643 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046507.txt index 97a377ccc4a..51880f8b412 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046507 -RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Quercetin-3-O-beta-D-galactoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Quercetin-3-O-beta-D-galactoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5281643 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046508.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046508.txt index f7cae217e36..5c00118aeab 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046508.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046508 -RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Quercetin-3-O-beta-D-galactoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Quercetin-3-O-beta-D-galactoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5281643 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046509.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046509.txt index 393e2d29b32..ab07ab5aa45 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046509.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046509.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046509 -RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Quercetin-3-O-beta-D-galactoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Quercetin-3-O-beta-D-galactoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5281643 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046510.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046510.txt index 2074ab786da..ab0b5a0a01d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046510.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046510.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046510 -RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Quercetin-3-O-beta-D-galactoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Quercetin-3-O-beta-D-galactoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5281643 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046511.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046511.txt index 14ffbad6a2c..6e45fbaf454 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046511.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046511.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046511 -RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Quercetin-3-O-beta-D-galactoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Quercetin-3-O-beta-D-galactoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5281643 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046512.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046512.txt index 6532fe4c583..9c904482e0c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046512.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046512.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046512 -RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Quercetin-3-O-beta-D-galactoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin 3-beta-D-galactopyranoside, Hyperosid, Hyperoside, Quercetin-3-O-beta-D-galactoside, Hyperozide, 2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one, Jyperin, Quer-3-Gal, quercetin-3-beta-O-galactoside, Hyperin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5281643 CH$LINK: INCHIKEY OVSQVDMCBVZWGM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046607.txt index 517f2abed1f..2e440e309ef 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046607 -RECORD_TITLE: 3,4-Dihydroxyphenylacetate, Dopacetic acid, DOPAC, 3,4-dihydroxyphenylacetic acid, Homoprotocatechuic acid, 4-Carboxymethylpyrocatechol, 3,4-Dihydroxybenzeneacetic acid, Pyrocatechol-4-acetic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,4-Dihydroxyphenylacetate, Dopacetic acid, DOPAC, 3,4-dihydroxyphenylacetic acid, Homoprotocatechuic acid, 4-Carboxymethylpyrocatechol, 3,4-Dihydroxybenzeneacetic acid, Pyrocatechol-4-acetic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:547 CH$LINK: INCHIKEY CFFZDZCDUFSOFZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046608.txt index f688ab86535..e9bee06f77d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046608 -RECORD_TITLE: 3,4-Dihydroxyphenylacetate, Dopacetic acid, DOPAC, 3,4-dihydroxyphenylacetic acid, Homoprotocatechuic acid, 4-Carboxymethylpyrocatechol, 3,4-Dihydroxybenzeneacetic acid, Pyrocatechol-4-acetic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,4-Dihydroxyphenylacetate, Dopacetic acid, DOPAC, 3,4-dihydroxyphenylacetic acid, Homoprotocatechuic acid, 4-Carboxymethylpyrocatechol, 3,4-Dihydroxybenzeneacetic acid, Pyrocatechol-4-acetic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:547 CH$LINK: INCHIKEY CFFZDZCDUFSOFZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046801.txt index 1bfb172aa9c..a1c2dfc9553 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046801 -RECORD_TITLE: (S)-(+)-2-(anilinomethyl)pyrrolidine, (S)-(+)-N-(2-Pyrrolidinomethyl)aniline, (2S)-Phenylpyrrolidin-2-ylmethylamine; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-(+)-2-(anilinomethyl)pyrrolidine, (S)-(+)-N-(2-Pyrrolidinomethyl)aniline, (2S)-Phenylpyrrolidin-2-ylmethylamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6950385 CH$LINK: INCHIKEY MCHWKJRTMPIHRA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046802.txt index c8d5ff6b4eb..540a54f537c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046802 -RECORD_TITLE: (S)-(+)-2-(anilinomethyl)pyrrolidine, (S)-(+)-N-(2-Pyrrolidinomethyl)aniline, (2S)-Phenylpyrrolidin-2-ylmethylamine; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-(+)-2-(anilinomethyl)pyrrolidine, (S)-(+)-N-(2-Pyrrolidinomethyl)aniline, (2S)-Phenylpyrrolidin-2-ylmethylamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6950385 CH$LINK: INCHIKEY MCHWKJRTMPIHRA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046803.txt index e9f7995c8f2..525a2c9a8de 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046803 -RECORD_TITLE: (S)-(+)-2-(anilinomethyl)pyrrolidine, (S)-(+)-N-(2-Pyrrolidinomethyl)aniline, (2S)-Phenylpyrrolidin-2-ylmethylamine; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-(+)-2-(anilinomethyl)pyrrolidine, (S)-(+)-N-(2-Pyrrolidinomethyl)aniline, (2S)-Phenylpyrrolidin-2-ylmethylamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6950385 CH$LINK: INCHIKEY MCHWKJRTMPIHRA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046804.txt index eeb729ad0b7..979f079a625 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046804 -RECORD_TITLE: (S)-(+)-2-(anilinomethyl)pyrrolidine, (S)-(+)-N-(2-Pyrrolidinomethyl)aniline, (2S)-Phenylpyrrolidin-2-ylmethylamine; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-(+)-2-(anilinomethyl)pyrrolidine, (S)-(+)-N-(2-Pyrrolidinomethyl)aniline, (2S)-Phenylpyrrolidin-2-ylmethylamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6950385 CH$LINK: INCHIKEY MCHWKJRTMPIHRA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046805.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046805.txt index 9a76f3de81e..516be55828d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046805.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046805 -RECORD_TITLE: (S)-(+)-2-(anilinomethyl)pyrrolidine, (S)-(+)-N-(2-Pyrrolidinomethyl)aniline, (2S)-Phenylpyrrolidin-2-ylmethylamine; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-(+)-2-(anilinomethyl)pyrrolidine, (S)-(+)-N-(2-Pyrrolidinomethyl)aniline, (2S)-Phenylpyrrolidin-2-ylmethylamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6950385 CH$LINK: INCHIKEY MCHWKJRTMPIHRA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046806.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046806.txt index 440726056f1..14bb065484e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046806.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046806.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046806 -RECORD_TITLE: (S)-(+)-2-(anilinomethyl)pyrrolidine, (S)-(+)-N-(2-Pyrrolidinomethyl)aniline, (2S)-Phenylpyrrolidin-2-ylmethylamine; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-(+)-2-(anilinomethyl)pyrrolidine, (S)-(+)-N-(2-Pyrrolidinomethyl)aniline, (2S)-Phenylpyrrolidin-2-ylmethylamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6950385 CH$LINK: INCHIKEY MCHWKJRTMPIHRA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046901.txt index 9f33fb567ec..ae6edee1f61 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046901 -RECORD_TITLE: beta-Pyridyl Cyanide, Nicotinic acid nitrile, 3-Azabenzonitrile, 3-Pyridinecarbonitrile, 3-cyanopyridine, Nicotinonitrile, Pyridine-3-carbonitrile; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Pyridyl Cyanide, Nicotinic acid nitrile, 3-Azabenzonitrile, 3-Pyridinecarbonitrile, 3-cyanopyridine, Nicotinonitrile, Pyridine-3-carbonitrile; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:79 CH$LINK: INCHIKEY GZPHSAQLYPIAIN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003972; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; 3-pyridinecarbonitriles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046902.txt index b9a22935513..165df2b4ce6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046902 -RECORD_TITLE: beta-Pyridyl Cyanide, Nicotinic acid nitrile, 3-Azabenzonitrile, 3-Pyridinecarbonitrile, 3-cyanopyridine, Nicotinonitrile, Pyridine-3-carbonitrile; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Pyridyl Cyanide, Nicotinic acid nitrile, 3-Azabenzonitrile, 3-Pyridinecarbonitrile, 3-cyanopyridine, Nicotinonitrile, Pyridine-3-carbonitrile; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:79 CH$LINK: INCHIKEY GZPHSAQLYPIAIN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003972; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; 3-pyridinecarbonitriles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046903.txt index 5b12caf446b..a517e81c738 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS046903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS046903 -RECORD_TITLE: beta-Pyridyl Cyanide, Nicotinic acid nitrile, 3-Azabenzonitrile, 3-Pyridinecarbonitrile, 3-cyanopyridine, Nicotinonitrile, Pyridine-3-carbonitrile; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Pyridyl Cyanide, Nicotinic acid nitrile, 3-Azabenzonitrile, 3-Pyridinecarbonitrile, 3-cyanopyridine, Nicotinonitrile, Pyridine-3-carbonitrile; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:79 CH$LINK: INCHIKEY GZPHSAQLYPIAIN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003972; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; 3-pyridinecarbonitriles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047201.txt index 5f0f9a55367..9241f5d975b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS047201 -RECORD_TITLE: Dihydrocodehydrogenase I, beta-Diphosphopyridine nucleotide, Coenzyme I reduced, Cozymase, Reduced Form, Codehydrase I Reduced Form, beta-NADH, beta-Diphosphopyridine Nucleotide Reduced Form, beta-DPNH, NAD-reduced, beta-nicotinamide adenine Dl-nucleotide ,reduced dipotassium salt ; LC-ESI-QQ; MS2 +RECORD_TITLE: Dihydrocodehydrogenase I, beta-Diphosphopyridine nucleotide, Coenzyme I reduced, Cozymase, Reduced Form, Codehydrase I Reduced Form, beta-NADH, beta-Diphosphopyridine Nucleotide Reduced Form, beta-DPNH, NAD-reduced, beta-nicotinamide adenine Dl-nucleotide ,reduced dipotassium salt ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:439153 CH$LINK: INCHIKEY BOPGDPNILDQYTO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003468; Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047301.txt index 7231c05e961..1015594d998 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS047301 -RECORD_TITLE: 3-(1H-Imidazol-4-yl)-2-propenoic acid, 3-(4-Imidazolyl)acrylic acid, 4-Imidazoleacrylic acid, urocanic acid, Urocanate, Urocaninic acid, 3-Imidazol-4-ylacrylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-(1H-Imidazol-4-yl)-2-propenoic acid, 3-(4-Imidazolyl)acrylic acid, 4-Imidazoleacrylic acid, urocanic acid, Urocanate, Urocaninic acid, 3-Imidazol-4-ylacrylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:736715 CH$LINK: INCHIKEY LOIYMIARKYCTBW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047302.txt index 9c91d792205..c795550a92e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS047302 -RECORD_TITLE: 3-(1H-Imidazol-4-yl)-2-propenoic acid, 3-(4-Imidazolyl)acrylic acid, 4-Imidazoleacrylic acid, urocanic acid, Urocanate, Urocaninic acid, 3-Imidazol-4-ylacrylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-(1H-Imidazol-4-yl)-2-propenoic acid, 3-(4-Imidazolyl)acrylic acid, 4-Imidazoleacrylic acid, urocanic acid, Urocanate, Urocaninic acid, 3-Imidazol-4-ylacrylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:736715 CH$LINK: INCHIKEY LOIYMIARKYCTBW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047303.txt index c8b8fc10022..00152a668ad 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS047303 -RECORD_TITLE: 3-(1H-Imidazol-4-yl)-2-propenoic acid, 3-(4-Imidazolyl)acrylic acid, 4-Imidazoleacrylic acid, urocanic acid, Urocanate, Urocaninic acid, 3-Imidazol-4-ylacrylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-(1H-Imidazol-4-yl)-2-propenoic acid, 3-(4-Imidazolyl)acrylic acid, 4-Imidazoleacrylic acid, urocanic acid, Urocanate, Urocaninic acid, 3-Imidazol-4-ylacrylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:736715 CH$LINK: INCHIKEY LOIYMIARKYCTBW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047304.txt index 09e9af573dc..b2ae060593e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS047304 -RECORD_TITLE: 3-(1H-Imidazol-4-yl)-2-propenoic acid, 3-(4-Imidazolyl)acrylic acid, 4-Imidazoleacrylic acid, urocanic acid, Urocanate, Urocaninic acid, 3-Imidazol-4-ylacrylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-(1H-Imidazol-4-yl)-2-propenoic acid, 3-(4-Imidazolyl)acrylic acid, 4-Imidazoleacrylic acid, urocanic acid, Urocanate, Urocaninic acid, 3-Imidazol-4-ylacrylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:736715 CH$LINK: INCHIKEY LOIYMIARKYCTBW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047305.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047305.txt index a29294fcc6d..8b9214ec066 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047305.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS047305 -RECORD_TITLE: 3-(1H-Imidazol-4-yl)-2-propenoic acid, 3-(4-Imidazolyl)acrylic acid, 4-Imidazoleacrylic acid, urocanic acid, Urocanate, Urocaninic acid, 3-Imidazol-4-ylacrylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-(1H-Imidazol-4-yl)-2-propenoic acid, 3-(4-Imidazolyl)acrylic acid, 4-Imidazoleacrylic acid, urocanic acid, Urocanate, Urocaninic acid, 3-Imidazol-4-ylacrylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:736715 CH$LINK: INCHIKEY LOIYMIARKYCTBW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047307.txt index ca08ea3642c..33d0f8b34d8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS047307 -RECORD_TITLE: 3-(1H-Imidazol-4-yl)-2-propenoic acid, 3-(4-Imidazolyl)acrylic acid, 4-Imidazoleacrylic acid, urocanic acid, Urocanate, Urocaninic acid, 3-Imidazol-4-ylacrylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-(1H-Imidazol-4-yl)-2-propenoic acid, 3-(4-Imidazolyl)acrylic acid, 4-Imidazoleacrylic acid, urocanic acid, Urocanate, Urocaninic acid, 3-Imidazol-4-ylacrylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:736715 CH$LINK: INCHIKEY LOIYMIARKYCTBW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047401.txt index c59b958b1dc..cd5375c1b90 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS047401 -RECORD_TITLE: Neuraminic acid N-acetate, Lactaminic acid, 5-Acetamido-3,5-dideoxy-D-glycero-D-galactononulosonic acid, 5-Acetylamino-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic Acid, N-acetylneuraminic acid, NANA, N-Acetylneuraminate, NAN, Sialic acid, Aceneuramic Acid, Neu5Ac; LC-ESI-QQ; MS2 +RECORD_TITLE: Neuraminic acid N-acetate, Lactaminic acid, 5-Acetamido-3,5-dideoxy-D-glycero-D-galactononulosonic acid, 5-Acetylamino-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic Acid, N-acetylneuraminic acid, NANA, N-Acetylneuraminate, NAN, Sialic acid, Aceneuramic Acid, Neu5Ac; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047402.txt index b57f4dc0246..7a1ccffd41f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS047402 -RECORD_TITLE: Neuraminic acid N-acetate, Lactaminic acid, 5-Acetamido-3,5-dideoxy-D-glycero-D-galactononulosonic acid, 5-Acetylamino-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic Acid, N-acetylneuraminic acid, NANA, N-Acetylneuraminate, NAN, Sialic acid, Aceneuramic Acid, Neu5Ac; LC-ESI-QQ; MS2 +RECORD_TITLE: Neuraminic acid N-acetate, Lactaminic acid, 5-Acetamido-3,5-dideoxy-D-glycero-D-galactononulosonic acid, 5-Acetylamino-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic Acid, N-acetylneuraminic acid, NANA, N-Acetylneuraminate, NAN, Sialic acid, Aceneuramic Acid, Neu5Ac; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047407.txt index 1a864b34a10..98c759f572b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS047407 -RECORD_TITLE: Neuraminic acid N-acetate, Lactaminic acid, 5-Acetamido-3,5-dideoxy-D-glycero-D-galactononulosonic acid, 5-Acetylamino-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic Acid, N-acetylneuraminic acid, NANA, N-Acetylneuraminate, NAN, Sialic acid, Aceneuramic Acid, Neu5Ac; LC-ESI-QQ; MS2 +RECORD_TITLE: Neuraminic acid N-acetate, Lactaminic acid, 5-Acetamido-3,5-dideoxy-D-glycero-D-galactononulosonic acid, 5-Acetylamino-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic Acid, N-acetylneuraminic acid, NANA, N-Acetylneuraminate, NAN, Sialic acid, Aceneuramic Acid, Neu5Ac; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047408.txt index 14a3e9a7c88..287a515740a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS047408 -RECORD_TITLE: Neuraminic acid N-acetate, Lactaminic acid, 5-Acetamido-3,5-dideoxy-D-glycero-D-galactononulosonic acid, 5-Acetylamino-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic Acid, N-acetylneuraminic acid, NANA, N-Acetylneuraminate, NAN, Sialic acid, Aceneuramic Acid, Neu5Ac; LC-ESI-QQ; MS2 +RECORD_TITLE: Neuraminic acid N-acetate, Lactaminic acid, 5-Acetamido-3,5-dideoxy-D-glycero-D-galactononulosonic acid, 5-Acetylamino-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic Acid, N-acetylneuraminic acid, NANA, N-Acetylneuraminate, NAN, Sialic acid, Aceneuramic Acid, Neu5Ac; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047409.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047409.txt index cfecc053957..55e833f92f2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047409.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS047409 -RECORD_TITLE: Neuraminic acid N-acetate, Lactaminic acid, 5-Acetamido-3,5-dideoxy-D-glycero-D-galactononulosonic acid, 5-Acetylamino-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic Acid, N-acetylneuraminic acid, NANA, N-Acetylneuraminate, NAN, Sialic acid, Aceneuramic Acid, Neu5Ac; LC-ESI-QQ; MS2 +RECORD_TITLE: Neuraminic acid N-acetate, Lactaminic acid, 5-Acetamido-3,5-dideoxy-D-glycero-D-galactononulosonic acid, 5-Acetylamino-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic Acid, N-acetylneuraminic acid, NANA, N-Acetylneuraminate, NAN, Sialic acid, Aceneuramic Acid, Neu5Ac; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047410.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047410.txt index 3c4842e4405..0109f5bab0e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047410.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047410.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS047410 -RECORD_TITLE: Neuraminic acid N-acetate, Lactaminic acid, 5-Acetamido-3,5-dideoxy-D-glycero-D-galactononulosonic acid, 5-Acetylamino-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic Acid, N-acetylneuraminic acid, NANA, N-Acetylneuraminate, NAN, Sialic acid, Aceneuramic Acid, Neu5Ac; LC-ESI-QQ; MS2 +RECORD_TITLE: Neuraminic acid N-acetate, Lactaminic acid, 5-Acetamido-3,5-dideoxy-D-glycero-D-galactononulosonic acid, 5-Acetylamino-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic Acid, N-acetylneuraminic acid, NANA, N-Acetylneuraminate, NAN, Sialic acid, Aceneuramic Acid, Neu5Ac; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047411.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047411.txt index ba2567dc3fe..17d215add63 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047411.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047411.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS047411 -RECORD_TITLE: Neuraminic acid N-acetate, Lactaminic acid, 5-Acetamido-3,5-dideoxy-D-glycero-D-galactononulosonic acid, 5-Acetylamino-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic Acid, N-acetylneuraminic acid, NANA, N-Acetylneuraminate, NAN, Sialic acid, Aceneuramic Acid, Neu5Ac; LC-ESI-QQ; MS2 +RECORD_TITLE: Neuraminic acid N-acetate, Lactaminic acid, 5-Acetamido-3,5-dideoxy-D-glycero-D-galactononulosonic acid, 5-Acetylamino-3,5-dideoxy-D-glycero-D-galacto-2-nonulosonic Acid, N-acetylneuraminic acid, NANA, N-Acetylneuraminate, NAN, Sialic acid, Aceneuramic Acid, Neu5Ac; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:439197 CH$LINK: INCHIKEY SQVRNKJHWKZAKO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047601.txt index 974112b8e22..aa53a45e011 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS047601 -RECORD_TITLE: 2-Acetamido-2-deoxy-D-mannopyranose, ManNAc, N-Acetyl-D-mannosaminide, N-acetyl-D-mannosamine; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Acetamido-2-deoxy-D-mannopyranose, ManNAc, N-Acetyl-D-mannosaminide, N-acetyl-D-mannosamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439281 CH$LINK: INCHIKEY OVRNDRQMDRJTHS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047602.txt index 462ff38d05a..3ed4c747991 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS047602 -RECORD_TITLE: 2-Acetamido-2-deoxy-D-mannopyranose, ManNAc, N-Acetyl-D-mannosaminide, N-acetyl-D-mannosamine; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Acetamido-2-deoxy-D-mannopyranose, ManNAc, N-Acetyl-D-mannosaminide, N-acetyl-D-mannosamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439281 CH$LINK: INCHIKEY OVRNDRQMDRJTHS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047603.txt index ebd04284e63..aa1b0907baf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS047603 -RECORD_TITLE: 2-Acetamido-2-deoxy-D-mannopyranose, ManNAc, N-Acetyl-D-mannosaminide, N-acetyl-D-mannosamine; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Acetamido-2-deoxy-D-mannopyranose, ManNAc, N-Acetyl-D-mannosaminide, N-acetyl-D-mannosamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439281 CH$LINK: INCHIKEY OVRNDRQMDRJTHS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047607.txt index 6dc6194a216..0a8c044a372 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS047607 -RECORD_TITLE: 2-Acetamido-2-deoxy-D-mannopyranose, ManNAc, N-Acetyl-D-mannosaminide, N-acetyl-D-mannosamine; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Acetamido-2-deoxy-D-mannopyranose, ManNAc, N-Acetyl-D-mannosaminide, N-acetyl-D-mannosamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439281 CH$LINK: INCHIKEY OVRNDRQMDRJTHS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047701.txt index 15cbb48dc39..5748c36407f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS047701 -RECORD_TITLE: Ser(Ac), 3-acetyloxy-2-aminopropanoic acid, O-acetyl-L-serine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: Ser(Ac), 3-acetyloxy-2-aminopropanoic acid, O-acetyl-L-serine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:99478 CH$LINK: INCHIKEY VZXPDPZARILFQX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047702.txt index a1ad72e0e47..c36987daffd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS047702 -RECORD_TITLE: Ser(Ac), 3-acetyloxy-2-aminopropanoic acid, O-acetyl-L-serine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: Ser(Ac), 3-acetyloxy-2-aminopropanoic acid, O-acetyl-L-serine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:99478 CH$LINK: INCHIKEY VZXPDPZARILFQX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047703.txt index 2bcff82ccef..03144f57e27 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS047703 -RECORD_TITLE: Ser(Ac), 3-acetyloxy-2-aminopropanoic acid, O-acetyl-L-serine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: Ser(Ac), 3-acetyloxy-2-aminopropanoic acid, O-acetyl-L-serine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:99478 CH$LINK: INCHIKEY VZXPDPZARILFQX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047704.txt index 2b89ba93c8d..14a60f593f2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS047704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS047704 -RECORD_TITLE: Ser(Ac), 3-acetyloxy-2-aminopropanoic acid, O-acetyl-L-serine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: Ser(Ac), 3-acetyloxy-2-aminopropanoic acid, O-acetyl-L-serine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:99478 CH$LINK: INCHIKEY VZXPDPZARILFQX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048001.txt index 9012b7c1295..c89d85b1c0f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS048001 -RECORD_TITLE: dGMP, Deoxy-GMP, 5'-Deoxyguanylic acid, 2'-deoxyguanosine 5'-monophosphate sodium salt hydrate, vernine; LC-ESI-QQ; MS2 +RECORD_TITLE: dGMP, Deoxy-GMP, 5'-Deoxyguanylic acid, 2'-deoxyguanosine 5'-monophosphate sodium salt hydrate, vernine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:65059 CH$LINK: INCHIKEY LTFMZDNNPPEQNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048002.txt index 2154e96debe..ff53e4873f6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS048002 -RECORD_TITLE: dGMP, Deoxy-GMP, 5'-Deoxyguanylic acid, 2'-deoxyguanosine 5'-monophosphate sodium salt hydrate, vernine; LC-ESI-QQ; MS2 +RECORD_TITLE: dGMP, Deoxy-GMP, 5'-Deoxyguanylic acid, 2'-deoxyguanosine 5'-monophosphate sodium salt hydrate, vernine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:65059 CH$LINK: INCHIKEY LTFMZDNNPPEQNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048003.txt index 2d2aacfa779..7c69c85e8c7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS048003 -RECORD_TITLE: dGMP, Deoxy-GMP, 5'-Deoxyguanylic acid, 2'-deoxyguanosine 5'-monophosphate sodium salt hydrate, vernine; LC-ESI-QQ; MS2 +RECORD_TITLE: dGMP, Deoxy-GMP, 5'-Deoxyguanylic acid, 2'-deoxyguanosine 5'-monophosphate sodium salt hydrate, vernine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:65059 CH$LINK: INCHIKEY LTFMZDNNPPEQNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048004.txt index 145260cf9e0..75f57e8ea67 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS048004 -RECORD_TITLE: dGMP, Deoxy-GMP, 5'-Deoxyguanylic acid, 2'-deoxyguanosine 5'-monophosphate sodium salt hydrate, vernine; LC-ESI-QQ; MS2 +RECORD_TITLE: dGMP, Deoxy-GMP, 5'-Deoxyguanylic acid, 2'-deoxyguanosine 5'-monophosphate sodium salt hydrate, vernine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:65059 CH$LINK: INCHIKEY LTFMZDNNPPEQNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048005.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048005.txt index f0c8ad5ae03..46cf9d3409c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048005.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS048005 -RECORD_TITLE: dGMP, Deoxy-GMP, 5'-Deoxyguanylic acid, 2'-deoxyguanosine 5'-monophosphate sodium salt hydrate, vernine; LC-ESI-QQ; MS2 +RECORD_TITLE: dGMP, Deoxy-GMP, 5'-Deoxyguanylic acid, 2'-deoxyguanosine 5'-monophosphate sodium salt hydrate, vernine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:65059 CH$LINK: INCHIKEY LTFMZDNNPPEQNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048006.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048006.txt index 0f554c07f23..6d01236620d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048006.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048006.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS048006 -RECORD_TITLE: dGMP, Deoxy-GMP, 5'-Deoxyguanylic acid, 2'-deoxyguanosine 5'-monophosphate sodium salt hydrate, vernine; LC-ESI-QQ; MS2 +RECORD_TITLE: dGMP, Deoxy-GMP, 5'-Deoxyguanylic acid, 2'-deoxyguanosine 5'-monophosphate sodium salt hydrate, vernine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:65059 CH$LINK: INCHIKEY LTFMZDNNPPEQNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048007.txt index 58a3924c220..8757bdd0a8f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS048007 -RECORD_TITLE: dGMP, Deoxy-GMP, 5'-Deoxyguanylic acid, 2'-deoxyguanosine 5'-monophosphate sodium salt hydrate, vernine; LC-ESI-QQ; MS2 +RECORD_TITLE: dGMP, Deoxy-GMP, 5'-Deoxyguanylic acid, 2'-deoxyguanosine 5'-monophosphate sodium salt hydrate, vernine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:65059 CH$LINK: INCHIKEY LTFMZDNNPPEQNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048008.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048008.txt index d9600c89c5d..3bf69305c70 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048008.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS048008 -RECORD_TITLE: dGMP, Deoxy-GMP, 5'-Deoxyguanylic acid, 2'-deoxyguanosine 5'-monophosphate sodium salt hydrate, vernine; LC-ESI-QQ; MS2 +RECORD_TITLE: dGMP, Deoxy-GMP, 5'-Deoxyguanylic acid, 2'-deoxyguanosine 5'-monophosphate sodium salt hydrate, vernine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:65059 CH$LINK: INCHIKEY LTFMZDNNPPEQNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048501.txt index 8fb35ef5342..ed33b525449 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS048501 -RECORD_TITLE: 4-Methylumbelliferyl acetate, 7-Acetoxy-4-methylcoumarin, MU-Ac, Acetic acid-4-methylumbelliferyl ester, 7-Acetoxy-4-methylcoumarine, 4-Methyl-7-acetoxycoumarin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Methylumbelliferyl acetate, 7-Acetoxy-4-methylcoumarin, MU-Ac, Acetic acid-4-methylumbelliferyl ester, 7-Acetoxy-4-methylcoumarine, 4-Methyl-7-acetoxycoumarin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:366 CH$LINK: INCHIKEY HXVZGASCDAGAPS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000145; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048502.txt index ff0b10fa6c8..1afc36e059e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS048502 -RECORD_TITLE: 4-Methylumbelliferyl acetate, 7-Acetoxy-4-methylcoumarin, MU-Ac, Acetic acid-4-methylumbelliferyl ester, 7-Acetoxy-4-methylcoumarine, 4-Methyl-7-acetoxycoumarin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Methylumbelliferyl acetate, 7-Acetoxy-4-methylcoumarin, MU-Ac, Acetic acid-4-methylumbelliferyl ester, 7-Acetoxy-4-methylcoumarine, 4-Methyl-7-acetoxycoumarin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:366 CH$LINK: INCHIKEY HXVZGASCDAGAPS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000145; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048503.txt index 0b971322b51..30e625c407e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS048503 -RECORD_TITLE: 4-Methylumbelliferyl acetate, 7-Acetoxy-4-methylcoumarin, MU-Ac, Acetic acid-4-methylumbelliferyl ester, 7-Acetoxy-4-methylcoumarine, 4-Methyl-7-acetoxycoumarin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Methylumbelliferyl acetate, 7-Acetoxy-4-methylcoumarin, MU-Ac, Acetic acid-4-methylumbelliferyl ester, 7-Acetoxy-4-methylcoumarine, 4-Methyl-7-acetoxycoumarin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:366 CH$LINK: INCHIKEY HXVZGASCDAGAPS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000145; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048504.txt index 67de89080ab..3e0dd9047d0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS048504 -RECORD_TITLE: 4-Methylumbelliferyl acetate, 7-Acetoxy-4-methylcoumarin, MU-Ac, Acetic acid-4-methylumbelliferyl ester, 7-Acetoxy-4-methylcoumarine, 4-Methyl-7-acetoxycoumarin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Methylumbelliferyl acetate, 7-Acetoxy-4-methylcoumarin, MU-Ac, Acetic acid-4-methylumbelliferyl ester, 7-Acetoxy-4-methylcoumarine, 4-Methyl-7-acetoxycoumarin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:366 CH$LINK: INCHIKEY HXVZGASCDAGAPS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000145; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048601.txt index f17ebe04247..a9d42978f2a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS048601 -RECORD_TITLE: alpha-D-Mannopyranosyl phosphate, alpha-Man-1P, alpha-D-(+)-mannose-1-phosphate sodium salt hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-Mannopyranosyl phosphate, alpha-Man-1P, alpha-D-(+)-mannose-1-phosphate sodium salt hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439279 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048602.txt index c738b83f906..0338fe8bc74 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS048602 -RECORD_TITLE: alpha-D-Mannopyranosyl phosphate, alpha-Man-1P, alpha-D-(+)-mannose-1-phosphate sodium salt hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-Mannopyranosyl phosphate, alpha-Man-1P, alpha-D-(+)-mannose-1-phosphate sodium salt hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439279 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048607.txt index d1ebc353226..310cbd9b18a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS048607 -RECORD_TITLE: alpha-D-Mannopyranosyl phosphate, alpha-Man-1P, alpha-D-(+)-mannose-1-phosphate sodium salt hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-Mannopyranosyl phosphate, alpha-Man-1P, alpha-D-(+)-mannose-1-phosphate sodium salt hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439279 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048608.txt index b5c8eef297b..382c2d1982e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS048608 -RECORD_TITLE: alpha-D-Mannopyranosyl phosphate, alpha-Man-1P, alpha-D-(+)-mannose-1-phosphate sodium salt hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-Mannopyranosyl phosphate, alpha-Man-1P, alpha-D-(+)-mannose-1-phosphate sodium salt hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439279 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048610.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048610.txt index 0213e64722e..2295328b61a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048610.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048610.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS048610 -RECORD_TITLE: alpha-D-Mannopyranosyl phosphate, alpha-Man-1P, alpha-D-(+)-mannose-1-phosphate sodium salt hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-Mannopyranosyl phosphate, alpha-Man-1P, alpha-D-(+)-mannose-1-phosphate sodium salt hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439279 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048801.txt index a0cb9e3440a..5c22b6c2d67 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS048801 -RECORD_TITLE: Oxobutanedioic acid, Oxalacetic acid, Hydroxybutenedioic acid, Oxaloacetate, 2-Oxosuccinic acid, Oxaloacetic acid, keto-Oxaloacetate, Ketosuccinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Oxobutanedioic acid, Oxalacetic acid, Hydroxybutenedioic acid, Oxaloacetate, 2-Oxosuccinic acid, Oxaloacetic acid, keto-Oxaloacetate, Ketosuccinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:970 CH$LINK: INCHIKEY KHPXUQMNIQBQEV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048802.txt index fad7f8e556a..3811bdc5bdf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS048802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS048802 -RECORD_TITLE: Oxobutanedioic acid, Oxalacetic acid, Hydroxybutenedioic acid, Oxaloacetate, 2-Oxosuccinic acid, Oxaloacetic acid, keto-Oxaloacetate, Ketosuccinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Oxobutanedioic acid, Oxalacetic acid, Hydroxybutenedioic acid, Oxaloacetate, 2-Oxosuccinic acid, Oxaloacetic acid, keto-Oxaloacetate, Ketosuccinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:970 CH$LINK: INCHIKEY KHPXUQMNIQBQEV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049101.txt index f010faf2637..4b157fc3322 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS049101 -RECORD_TITLE: Pidopidon, Pyridoxal-5P, PLP, Pyridoxal-5'-phosphate hydrate , Codecarboxylase, 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde, Hairoxal, Pyridoxal 5-phosphate, Pyromijin; LC-ESI-QQ; MS2 +RECORD_TITLE: Pidopidon, Pyridoxal-5P, PLP, Pyridoxal-5'-phosphate hydrate , Codecarboxylase, 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde, Hairoxal, Pyridoxal 5-phosphate, Pyromijin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:1051 CH$LINK: INCHIKEY NGVDGCNFYWLIFO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049102.txt index c85619eb64d..366acf6aab9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS049102 -RECORD_TITLE: Pidopidon, Pyridoxal-5P, PLP, Pyridoxal-5'-phosphate hydrate , Codecarboxylase, 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde, Hairoxal, Pyridoxal 5-phosphate, Pyromijin; LC-ESI-QQ; MS2 +RECORD_TITLE: Pidopidon, Pyridoxal-5P, PLP, Pyridoxal-5'-phosphate hydrate , Codecarboxylase, 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde, Hairoxal, Pyridoxal 5-phosphate, Pyromijin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:1051 CH$LINK: INCHIKEY NGVDGCNFYWLIFO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049103.txt index 02860d6023f..f59fade3199 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS049103 -RECORD_TITLE: Pidopidon, Pyridoxal-5P, PLP, Pyridoxal-5'-phosphate hydrate , Codecarboxylase, 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde, Hairoxal, Pyridoxal 5-phosphate, Pyromijin; LC-ESI-QQ; MS2 +RECORD_TITLE: Pidopidon, Pyridoxal-5P, PLP, Pyridoxal-5'-phosphate hydrate , Codecarboxylase, 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde, Hairoxal, Pyridoxal 5-phosphate, Pyromijin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:1051 CH$LINK: INCHIKEY NGVDGCNFYWLIFO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049107.txt index 64d313a74b4..f5e1099e5a8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS049107 -RECORD_TITLE: Pidopidon, Pyridoxal-5P, PLP, Pyridoxal-5'-phosphate hydrate , Codecarboxylase, 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde, Hairoxal, Pyridoxal 5-phosphate, Pyromijin; LC-ESI-QQ; MS2 +RECORD_TITLE: Pidopidon, Pyridoxal-5P, PLP, Pyridoxal-5'-phosphate hydrate , Codecarboxylase, 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde, Hairoxal, Pyridoxal 5-phosphate, Pyromijin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:1051 CH$LINK: INCHIKEY NGVDGCNFYWLIFO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049108.txt index 076009b2f56..b23b05004b7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS049108 -RECORD_TITLE: Pidopidon, Pyridoxal-5P, PLP, Pyridoxal-5'-phosphate hydrate , Codecarboxylase, 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde, Hairoxal, Pyridoxal 5-phosphate, Pyromijin; LC-ESI-QQ; MS2 +RECORD_TITLE: Pidopidon, Pyridoxal-5P, PLP, Pyridoxal-5'-phosphate hydrate , Codecarboxylase, 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde, Hairoxal, Pyridoxal 5-phosphate, Pyromijin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:1051 CH$LINK: INCHIKEY NGVDGCNFYWLIFO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049201.txt index 13580a159d1..673ac4e3fc9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS049201 -RECORD_TITLE: Pyridoxal hydrochrolide, Vitamin B6, Pyridoxaldehyde, PL-HCl, PL, Hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde, 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Pyridoxal hydrochrolide, Vitamin B6, Pyridoxaldehyde, PL-HCl, PL, Hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde, 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:1050 CH$LINK: INCHIKEY RADKZDMFGJYCBB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049202.txt index 460b6ba7180..0e8cbf42d06 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS049202 -RECORD_TITLE: Pyridoxal hydrochrolide, Vitamin B6, Pyridoxaldehyde, PL-HCl, PL, Hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde, 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Pyridoxal hydrochrolide, Vitamin B6, Pyridoxaldehyde, PL-HCl, PL, Hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde, 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:1050 CH$LINK: INCHIKEY RADKZDMFGJYCBB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049203.txt index 5f34cdc892e..266d90131a2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS049203 -RECORD_TITLE: Pyridoxal hydrochrolide, Vitamin B6, Pyridoxaldehyde, PL-HCl, PL, Hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde, 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Pyridoxal hydrochrolide, Vitamin B6, Pyridoxaldehyde, PL-HCl, PL, Hydroxy-5-hydroxymethyl-2-methylisonicotinaldehyde, 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxaldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:1050 CH$LINK: INCHIKEY RADKZDMFGJYCBB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049401.txt index e375cbd3e23..9ff26ecd525 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS049401 -RECORD_TITLE: Methyl octadecanoate, Stearic acid methyl ester, methyl stearate; LC-ESI-QQ; MS2 +RECORD_TITLE: Methyl octadecanoate, Stearic acid methyl ester, methyl stearate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:8201 CH$LINK: INCHIKEY HPEUJPJOZXNMSJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000324; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acid esters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049402.txt index c9c811f97ac..9d3bc3b0602 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS049402 -RECORD_TITLE: Methyl octadecanoate, Stearic acid methyl ester, methyl stearate; LC-ESI-QQ; MS2 +RECORD_TITLE: Methyl octadecanoate, Stearic acid methyl ester, methyl stearate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:8201 CH$LINK: INCHIKEY HPEUJPJOZXNMSJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000324; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acid esters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049701.txt index 04c0a723456..4bb22484b4f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS049701 -RECORD_TITLE: Dimethylnitromethane, 2-nitropropane, Isonitropropane, 2-NP, Nitroisopropane; LC-ESI-QQ; MS2 +RECORD_TITLE: Dimethylnitromethane, 2-nitropropane, Isonitropropane, 2-NP, Nitroisopropane; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:398 CH$LINK: INCHIKEY FGLBSLMDCBOPQK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001152; Organic compounds; Organic 1,3-dipolar compounds; Allyl-type 1,3-dipolar organic compounds; Organic nitro compounds AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049802.txt index e07367f2faa..de6c12e39fe 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS049802 -RECORD_TITLE: 3,3-Dimethylacrylaldehyde, 3-methyl-2-butenal, Prenal, 3,3-Dimethylacrolein, 3-Methylcrotonaldehyde, Senecialdehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,3-Dimethylacrylaldehyde, 3-methyl-2-butenal, Prenal, 3,3-Dimethylacrolein, 3-Methylcrotonaldehyde, Senecialdehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:61020 CH$LINK: INCHIKEY SEPQTYODOKLVSB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049901.txt index 003d2418151..0b98ea6dba7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS049901 -RECORD_TITLE: Acetylputrescine, N-(4-aminobutyl)acetamide, N-acetyl putrescine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: Acetylputrescine, N-(4-aminobutyl)acetamide, N-acetyl putrescine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:122356 CH$LINK: INCHIKEY KLZGKIDSEJWEDW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002484; Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives; Carboximidic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049902.txt index fcfee7b5a26..a72753a008d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS049902 -RECORD_TITLE: Acetylputrescine, N-(4-aminobutyl)acetamide, N-acetyl putrescine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: Acetylputrescine, N-(4-aminobutyl)acetamide, N-acetyl putrescine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:122356 CH$LINK: INCHIKEY KLZGKIDSEJWEDW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002484; Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives; Carboximidic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049903.txt index 3de0718b2df..56ded77c666 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS049903 -RECORD_TITLE: Acetylputrescine, N-(4-aminobutyl)acetamide, N-acetyl putrescine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: Acetylputrescine, N-(4-aminobutyl)acetamide, N-acetyl putrescine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:122356 CH$LINK: INCHIKEY KLZGKIDSEJWEDW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002484; Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives; Carboximidic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049904.txt index e6231c83b72..0ba3acd6688 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS049904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS049904 -RECORD_TITLE: Acetylputrescine, N-(4-aminobutyl)acetamide, N-acetyl putrescine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: Acetylputrescine, N-(4-aminobutyl)acetamide, N-acetyl putrescine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:122356 CH$LINK: INCHIKEY KLZGKIDSEJWEDW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002484; Organic compounds; Organic acids and derivatives; Carboximidic acids and derivatives; Carboximidic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050201.txt index 3595c519b40..41af97e55d0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS050201 -RECORD_TITLE: N6-(L-1,3-dicarboxylpropyl)-L-lysine, L-saccharopine, epsilon-N-(L-glutar-2-yl)-L-lysine; LC-ESI-QQ; MS2 +RECORD_TITLE: N6-(L-1,3-dicarboxylpropyl)-L-lysine, L-saccharopine, epsilon-N-(L-glutar-2-yl)-L-lysine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:160556 CH$LINK: INCHIKEY ZDGJAHTZVHVLOT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050202.txt index a8238f7c7a2..de9b0136a9b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS050202 -RECORD_TITLE: N6-(L-1,3-dicarboxylpropyl)-L-lysine, L-saccharopine, epsilon-N-(L-glutar-2-yl)-L-lysine; LC-ESI-QQ; MS2 +RECORD_TITLE: N6-(L-1,3-dicarboxylpropyl)-L-lysine, L-saccharopine, epsilon-N-(L-glutar-2-yl)-L-lysine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:160556 CH$LINK: INCHIKEY ZDGJAHTZVHVLOT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050203.txt index 39bea77c3eb..bb5f9e3db79 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS050203 -RECORD_TITLE: N6-(L-1,3-dicarboxylpropyl)-L-lysine, L-saccharopine, epsilon-N-(L-glutar-2-yl)-L-lysine; LC-ESI-QQ; MS2 +RECORD_TITLE: N6-(L-1,3-dicarboxylpropyl)-L-lysine, L-saccharopine, epsilon-N-(L-glutar-2-yl)-L-lysine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:160556 CH$LINK: INCHIKEY ZDGJAHTZVHVLOT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050204.txt index 256a76ec8d0..b1c1ff38676 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS050204 -RECORD_TITLE: N6-(L-1,3-dicarboxylpropyl)-L-lysine, L-saccharopine, epsilon-N-(L-glutar-2-yl)-L-lysine; LC-ESI-QQ; MS2 +RECORD_TITLE: N6-(L-1,3-dicarboxylpropyl)-L-lysine, L-saccharopine, epsilon-N-(L-glutar-2-yl)-L-lysine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:160556 CH$LINK: INCHIKEY ZDGJAHTZVHVLOT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050205.txt index 75fcc67047e..84fc69b6d57 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS050205 -RECORD_TITLE: N6-(L-1,3-dicarboxylpropyl)-L-lysine, L-saccharopine, epsilon-N-(L-glutar-2-yl)-L-lysine; LC-ESI-QQ; MS2 +RECORD_TITLE: N6-(L-1,3-dicarboxylpropyl)-L-lysine, L-saccharopine, epsilon-N-(L-glutar-2-yl)-L-lysine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:160556 CH$LINK: INCHIKEY ZDGJAHTZVHVLOT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050206.txt index ccd27f9a184..d8cb3dd9c85 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS050206 -RECORD_TITLE: N6-(L-1,3-dicarboxylpropyl)-L-lysine, L-saccharopine, epsilon-N-(L-glutar-2-yl)-L-lysine; LC-ESI-QQ; MS2 +RECORD_TITLE: N6-(L-1,3-dicarboxylpropyl)-L-lysine, L-saccharopine, epsilon-N-(L-glutar-2-yl)-L-lysine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:160556 CH$LINK: INCHIKEY ZDGJAHTZVHVLOT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050207.txt index 60a14499631..0470e111ec6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS050207 -RECORD_TITLE: N6-(L-1,3-dicarboxylpropyl)-L-lysine, L-saccharopine, epsilon-N-(L-glutar-2-yl)-L-lysine; LC-ESI-QQ; MS2 +RECORD_TITLE: N6-(L-1,3-dicarboxylpropyl)-L-lysine, L-saccharopine, epsilon-N-(L-glutar-2-yl)-L-lysine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:160556 CH$LINK: INCHIKEY ZDGJAHTZVHVLOT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050807.txt index daba4a404e0..1b6ebe6bed2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS050807 -RECORD_TITLE: 4-(Methylthio)butylglucosinolate, Glucoerucin, 4MTB, 4-methylthiobutyl glucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-(Methylthio)butylglucosinolate, Glucoerucin, 4MTB, 4-methylthiobutyl glucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548895 CH$LINK: INCHIKEY GKUMMDFLKGFCKH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050808.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050808.txt index f8edca66463..ff9d9166240 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050808.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS050808 -RECORD_TITLE: 4-(Methylthio)butylglucosinolate, Glucoerucin, 4MTB, 4-methylthiobutyl glucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-(Methylthio)butylglucosinolate, Glucoerucin, 4MTB, 4-methylthiobutyl glucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548895 CH$LINK: INCHIKEY GKUMMDFLKGFCKH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050809.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050809.txt index dc409be17d5..f50e746ac01 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050809.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050809.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS050809 -RECORD_TITLE: 4-(Methylthio)butylglucosinolate, Glucoerucin, 4MTB, 4-methylthiobutyl glucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-(Methylthio)butylglucosinolate, Glucoerucin, 4MTB, 4-methylthiobutyl glucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548895 CH$LINK: INCHIKEY GKUMMDFLKGFCKH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050810.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050810.txt index cbc22b3d9e6..5c96ecca79e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050810.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050810.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS050810 -RECORD_TITLE: 4-(Methylthio)butylglucosinolate, Glucoerucin, 4MTB, 4-methylthiobutyl glucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-(Methylthio)butylglucosinolate, Glucoerucin, 4MTB, 4-methylthiobutyl glucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548895 CH$LINK: INCHIKEY GKUMMDFLKGFCKH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050811.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050811.txt index 65b1d99f1a4..30b769b43da 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050811.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050811.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS050811 -RECORD_TITLE: 4-(Methylthio)butylglucosinolate, Glucoerucin, 4MTB, 4-methylthiobutyl glucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-(Methylthio)butylglucosinolate, Glucoerucin, 4MTB, 4-methylthiobutyl glucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548895 CH$LINK: INCHIKEY GKUMMDFLKGFCKH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050812.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050812.txt index c6697dfd572..0921f953554 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050812.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050812.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS050812 -RECORD_TITLE: 4-(Methylthio)butylglucosinolate, Glucoerucin, 4MTB, 4-methylthiobutyl glucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-(Methylthio)butylglucosinolate, Glucoerucin, 4MTB, 4-methylthiobutyl glucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548895 CH$LINK: INCHIKEY GKUMMDFLKGFCKH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050901.txt index 5e81d97d0a2..d5b694a08f1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS050901 -RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548634 CH$LINK: INCHIKEY GMMLNKINDDUDCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050902.txt index 712a5f62ccf..a4dd147e8f2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS050902 -RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548634 CH$LINK: INCHIKEY GMMLNKINDDUDCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050903.txt index 6b2a9d1536b..7b411722089 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS050903 -RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548634 CH$LINK: INCHIKEY GMMLNKINDDUDCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050905.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050905.txt index 8073f7b6da3..8c393e410f0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050905.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS050905 -RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548634 CH$LINK: INCHIKEY GMMLNKINDDUDCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050907.txt index 2fa68cbad45..9908dceae17 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS050907 -RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548634 CH$LINK: INCHIKEY GMMLNKINDDUDCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050908.txt index e4908d39cf0..93807304122 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS050908 -RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548634 CH$LINK: INCHIKEY GMMLNKINDDUDCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050909.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050909.txt index 35673b50e5c..030b4c009e3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050909.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS050909 -RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548634 CH$LINK: INCHIKEY GMMLNKINDDUDCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050911.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050911.txt index d43d558b811..15f6d09a23e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050911.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050911.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS050911 -RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548634 CH$LINK: INCHIKEY GMMLNKINDDUDCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050912.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050912.txt index 940c875306f..245bcf84c95 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050912.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS050912.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS050912 -RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548634 CH$LINK: INCHIKEY GMMLNKINDDUDCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS051001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS051001.txt index cc0bd6318ef..b2a937b4d6e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS051001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS051001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS051001 -RECORD_TITLE: Gluconapin, But-3-enylglucosinolate, Butenyl glucosinolate, 3-butenylglucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: Gluconapin, But-3-enylglucosinolate, Butenyl glucosinolate, 3-butenylglucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548620 CH$LINK: INCHIKEY PLYQBXHVYUJNQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS051107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS051107.txt index 0be119533a3..6eb44e4f7a0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS051107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS051107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS051107 -RECORD_TITLE: Epiporogoitrin, R-2-hydroxy-3-butenyl glucosinolate, Progoitrin, Glucorapiferin, (2R)-2-Hydroxybut-3-enylglucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: Epiporogoitrin, R-2-hydroxy-3-butenyl glucosinolate, Progoitrin, Glucorapiferin, (2R)-2-Hydroxybut-3-enylglucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:9576240 CH$LINK: INCHIKEY MYHSVHWQEVDFQT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS051108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS051108.txt index 00552d7cd4f..7f2d26a2ef4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS051108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS051108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS051108 -RECORD_TITLE: Epiporogoitrin, R-2-hydroxy-3-butenyl glucosinolate, Progoitrin, Glucorapiferin, (2R)-2-Hydroxybut-3-enylglucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: Epiporogoitrin, R-2-hydroxy-3-butenyl glucosinolate, Progoitrin, Glucorapiferin, (2R)-2-Hydroxybut-3-enylglucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:9576240 CH$LINK: INCHIKEY MYHSVHWQEVDFQT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS051112.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS051112.txt index 83e220cd488..3b78ad49d7b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS051112.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS051112.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS051112 -RECORD_TITLE: Epiporogoitrin, R-2-hydroxy-3-butenyl glucosinolate, Progoitrin, Glucorapiferin, (2R)-2-Hydroxybut-3-enylglucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: Epiporogoitrin, R-2-hydroxy-3-butenyl glucosinolate, Progoitrin, Glucorapiferin, (2R)-2-Hydroxybut-3-enylglucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:9576240 CH$LINK: INCHIKEY MYHSVHWQEVDFQT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052001.txt index 205dff80335..687ce01c836 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS052001 -RECORD_TITLE: 1,2-dipalmitoylphosphatidylglycerol , (16:0/16:0)PG, LHG, DPPG, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-glycerol, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,2-dipalmitoylphosphatidylglycerol , (16:0/16:0)PG, LHG, DPPG, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-glycerol, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:9547104 CH$LINK: INCHIKEY BIABMEZBCHDPBV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002216; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoglycerols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052002.txt index 5fbda98dbb6..1a05925b4e2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS052002 -RECORD_TITLE: 1,2-dipalmitoylphosphatidylglycerol , (16:0/16:0)PG, LHG, DPPG, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-glycerol, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,2-dipalmitoylphosphatidylglycerol , (16:0/16:0)PG, LHG, DPPG, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-glycerol, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:9547104 CH$LINK: INCHIKEY BIABMEZBCHDPBV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002216; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoglycerols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052003.txt index 42af4ff929d..6bea2c4702d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS052003 -RECORD_TITLE: 1,2-dipalmitoylphosphatidylglycerol , (16:0/16:0)PG, LHG, DPPG, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-glycerol, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,2-dipalmitoylphosphatidylglycerol , (16:0/16:0)PG, LHG, DPPG, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-glycerol, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:9547104 CH$LINK: INCHIKEY BIABMEZBCHDPBV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002216; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoglycerols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052004.txt index 3ed402630d0..0b72c899eec 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS052004 -RECORD_TITLE: 1,2-dipalmitoylphosphatidylglycerol , (16:0/16:0)PG, LHG, DPPG, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-glycerol, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,2-dipalmitoylphosphatidylglycerol , (16:0/16:0)PG, LHG, DPPG, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-glycerol, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:9547104 CH$LINK: INCHIKEY BIABMEZBCHDPBV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002216; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoglycerols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052007.txt index 4bc71e3be71..49a790952b6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS052007 -RECORD_TITLE: 1,2-dipalmitoylphosphatidylglycerol , (16:0/16:0)PG, LHG, DPPG, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-glycerol, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,2-dipalmitoylphosphatidylglycerol , (16:0/16:0)PG, LHG, DPPG, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-glycerol, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:9547104 CH$LINK: INCHIKEY BIABMEZBCHDPBV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002216; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoglycerols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052008.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052008.txt index 528b9ae6dbf..9f0e5ea1111 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052008.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS052008 -RECORD_TITLE: 1,2-dipalmitoylphosphatidylglycerol , (16:0/16:0)PG, LHG, DPPG, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-glycerol, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,2-dipalmitoylphosphatidylglycerol , (16:0/16:0)PG, LHG, DPPG, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-glycerol, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:9547104 CH$LINK: INCHIKEY BIABMEZBCHDPBV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002216; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoglycerols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052009.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052009.txt index 768ef762c1b..15b3599430b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052009.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS052009 -RECORD_TITLE: 1,2-dipalmitoylphosphatidylglycerol , (16:0/16:0)PG, LHG, DPPG, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-glycerol, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,2-dipalmitoylphosphatidylglycerol , (16:0/16:0)PG, LHG, DPPG, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-glycerol, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:9547104 CH$LINK: INCHIKEY BIABMEZBCHDPBV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002216; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoglycerols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052010.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052010.txt index 0c3557904fd..586a9ce3c1e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052010.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052010.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS052010 -RECORD_TITLE: 1,2-dipalmitoylphosphatidylglycerol , (16:0/16:0)PG, LHG, DPPG, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-glycerol, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,2-dipalmitoylphosphatidylglycerol , (16:0/16:0)PG, LHG, DPPG, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-glycerol, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:9547104 CH$LINK: INCHIKEY BIABMEZBCHDPBV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002216; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoglycerols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052011.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052011.txt index 7bc5f87c4ac..0a2a212f2a8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052011.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052011.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS052011 -RECORD_TITLE: 1,2-dipalmitoylphosphatidylglycerol , (16:0/16:0)PG, LHG, DPPG, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-glycerol, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,2-dipalmitoylphosphatidylglycerol , (16:0/16:0)PG, LHG, DPPG, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-glycerol, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:9547104 CH$LINK: INCHIKEY BIABMEZBCHDPBV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002216; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoglycerols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052012.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052012.txt index d71d6e5742d..8949081e725 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052012.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS052012.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS052012 -RECORD_TITLE: 1,2-dipalmitoylphosphatidylglycerol , (16:0/16:0)PG, LHG, DPPG, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-glycerol, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,2-dipalmitoylphosphatidylglycerol , (16:0/16:0)PG, LHG, DPPG, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-glycerol, 1,2-Dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:9547104 CH$LINK: INCHIKEY BIABMEZBCHDPBV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002216; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoglycerols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053107.txt index e832afb03e0..f658061e5d9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS053107 -RECORD_TITLE: 2d-Glc, 2-Deoxy-D-arabinohexose, 2-Deoxyhexose, 2-Deoxy-D-arabino-hexose, 2-Deoxy-D-glucose; LC-ESI-QQ; MS2 +RECORD_TITLE: 2d-Glc, 2-Deoxy-D-arabinohexose, 2-Deoxyhexose, 2-Deoxy-D-arabino-hexose, 2-Deoxy-D-glucose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439268 CH$LINK: INCHIKEY PMMURAAUARKVCB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053201.txt index b518a18c260..7501fe2447f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS053201 -RECORD_TITLE: 2-Deoxy-D-arabinose, Thyminose, 2-Deoxy-D-erythropentose, 2d-Rib, 2-Deoxy-D-ribose; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Deoxy-D-arabinose, Thyminose, 2-Deoxy-D-erythropentose, 2d-Rib, 2-Deoxy-D-ribose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439576 CH$LINK: INCHIKEY PDWIQYODPROSQH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053401.txt index 4483aa38169..8c9c2b00420 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS053401 -RECORD_TITLE: D-(+)-Arabitol, D-Arabinol, D-Arabinitol, D-arabinitol, D-Lyxitol; LC-ESI-QQ; MS2 +RECORD_TITLE: D-(+)-Arabitol, D-Arabinol, D-Arabinitol, D-arabinitol, D-Lyxitol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:94154 CH$LINK: INCHIKEY HEBKCHPVOIAQTA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053402.txt index e916691febd..c322c42d94a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS053402 -RECORD_TITLE: D-(+)-Arabitol, D-Arabinol, D-Arabinitol, D-arabinitol, D-Lyxitol; LC-ESI-QQ; MS2 +RECORD_TITLE: D-(+)-Arabitol, D-Arabinol, D-Arabinitol, D-arabinitol, D-Lyxitol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:94154 CH$LINK: INCHIKEY HEBKCHPVOIAQTA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053407.txt index ff104b1cf30..95116aeea9f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS053407 -RECORD_TITLE: D-(+)-Arabitol, D-Arabinol, D-Arabinitol, D-arabinitol, D-Lyxitol; LC-ESI-QQ; MS2 +RECORD_TITLE: D-(+)-Arabitol, D-Arabinol, D-Arabinitol, D-arabinitol, D-Lyxitol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:94154 CH$LINK: INCHIKEY HEBKCHPVOIAQTA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053501.txt index bd6dcf0e15d..86169b1eefd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS053501 -RECORD_TITLE: Cellose , Glc(beta1-4)Glc, 4-O-beta-D-Glucopyranosyl-D-glucose, D-(+)-Cellobiose; LC-ESI-QQ; MS2 +RECORD_TITLE: Cellose , Glc(beta1-4)Glc, 4-O-beta-D-Glucopyranosyl-D-glucose, D-(+)-Cellobiose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439178 CH$LINK: INCHIKEY GUBGYTABKSRVRQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053601.txt index 18af59c5bbf..3acd481fea9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS053601 -RECORD_TITLE: Glc(beta1-4)Glc(beta1-4)Glc, D-(+)-Cellotriose, O-beta-D-Glucopyranosyl-(1-4)-O-beta-D-Glucopyranosyl-(1-4)-D-Glucose; LC-ESI-QQ; MS2 +RECORD_TITLE: Glc(beta1-4)Glc(beta1-4)Glc, D-(+)-Cellotriose, O-beta-D-Glucopyranosyl-(1-4)-O-beta-D-Glucopyranosyl-(1-4)-D-Glucose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:440950 CH$LINK: INCHIKEY FYGDTMLNYKFZSV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053602.txt index e05c2b0e23f..4bb7bdc1b87 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS053602 -RECORD_TITLE: Glc(beta1-4)Glc(beta1-4)Glc, D-(+)-Cellotriose, O-beta-D-Glucopyranosyl-(1-4)-O-beta-D-Glucopyranosyl-(1-4)-D-Glucose; LC-ESI-QQ; MS2 +RECORD_TITLE: Glc(beta1-4)Glc(beta1-4)Glc, D-(+)-Cellotriose, O-beta-D-Glucopyranosyl-(1-4)-O-beta-D-Glucopyranosyl-(1-4)-D-Glucose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:440950 CH$LINK: INCHIKEY FYGDTMLNYKFZSV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053603.txt index 28d10e76631..f2f4318ab21 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS053603 -RECORD_TITLE: Glc(beta1-4)Glc(beta1-4)Glc, D-(+)-Cellotriose, O-beta-D-Glucopyranosyl-(1-4)-O-beta-D-Glucopyranosyl-(1-4)-D-Glucose; LC-ESI-QQ; MS2 +RECORD_TITLE: Glc(beta1-4)Glc(beta1-4)Glc, D-(+)-Cellotriose, O-beta-D-Glucopyranosyl-(1-4)-O-beta-D-Glucopyranosyl-(1-4)-D-Glucose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:440950 CH$LINK: INCHIKEY FYGDTMLNYKFZSV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053605.txt index a7097154062..e9fd2f54988 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS053605 -RECORD_TITLE: Glc(beta1-4)Glc(beta1-4)Glc, D-(+)-Cellotriose, O-beta-D-Glucopyranosyl-(1-4)-O-beta-D-Glucopyranosyl-(1-4)-D-Glucose; LC-ESI-QQ; MS2 +RECORD_TITLE: Glc(beta1-4)Glc(beta1-4)Glc, D-(+)-Cellotriose, O-beta-D-Glucopyranosyl-(1-4)-O-beta-D-Glucopyranosyl-(1-4)-D-Glucose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:440950 CH$LINK: INCHIKEY FYGDTMLNYKFZSV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053606.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053606.txt index 24ec302a9d1..c289707312e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053606.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053606.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS053606 -RECORD_TITLE: Glc(beta1-4)Glc(beta1-4)Glc, D-(+)-Cellotriose, O-beta-D-Glucopyranosyl-(1-4)-O-beta-D-Glucopyranosyl-(1-4)-D-Glucose; LC-ESI-QQ; MS2 +RECORD_TITLE: Glc(beta1-4)Glc(beta1-4)Glc, D-(+)-Cellotriose, O-beta-D-Glucopyranosyl-(1-4)-O-beta-D-Glucopyranosyl-(1-4)-D-Glucose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:440950 CH$LINK: INCHIKEY FYGDTMLNYKFZSV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053807.txt index 8da092dcb48..413a589c2a8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS053807 -RECORD_TITLE: D-xylo-Hexulose, Sor, D-(+)-Sorbose; LC-ESI-QQ; MS2 +RECORD_TITLE: D-xylo-Hexulose, Sor, D-(+)-Sorbose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439304 CH$LINK: INCHIKEY LKDRXBCSQODPBY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053903.txt index 9bb019c4f06..2d173132058 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS053903 -RECORD_TITLE: Glc(alpha1-3)Fru, 3-O-alpha-D-Glucopyranosyl-D-fructose, D(+)-Turanose, D-(+)-Turanose; LC-ESI-QQ; MS2 +RECORD_TITLE: Glc(alpha1-3)Fru, 3-O-alpha-D-Glucopyranosyl-D-fructose, D(+)-Turanose, D-(+)-Turanose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:16220012 CH$LINK: INCHIKEY SEWFWJUQVJHATO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053905.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053905.txt index f98c8d8497f..7bc73bf1b52 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053905.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS053905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS053905 -RECORD_TITLE: Glc(alpha1-3)Fru, 3-O-alpha-D-Glucopyranosyl-D-fructose, D(+)-Turanose, D-(+)-Turanose; LC-ESI-QQ; MS2 +RECORD_TITLE: Glc(alpha1-3)Fru, 3-O-alpha-D-Glucopyranosyl-D-fructose, D(+)-Turanose, D-(+)-Turanose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:16220012 CH$LINK: INCHIKEY SEWFWJUQVJHATO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054101.txt index 20950356542..f20219f9d93 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS054101 -RECORD_TITLE: 2,3,4-Trihydroxybutanal, (2R,3R)-(-)-Erythrose, D-(-)-Erythrose; LC-ESI-QQ; MS2 +RECORD_TITLE: 2,3,4-Trihydroxybutanal, (2R,3R)-(-)-Erythrose, D-(-)-Erythrose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439574 CH$LINK: INCHIKEY FMAORJIQYMIRHF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054301.txt index 7447182aaca..9824225e9fd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS054301 -RECORD_TITLE: Cystosol, D-Sorbit, D-1,2,3,4,5,6-Hexanehexol, Diakarmon, Sorbol, Esasorb, D-Glucitol, D-Sorbitol, D-Sorbol, Glucarine; LC-ESI-QQ; MS2 +RECORD_TITLE: Cystosol, D-Sorbit, D-1,2,3,4,5,6-Hexanehexol, Diakarmon, Sorbol, Esasorb, D-Glucitol, D-Sorbitol, D-Sorbol, Glucarine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5780 CH$LINK: INCHIKEY FBPFZTCFMRRESA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054305.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054305.txt index 1627a87850c..89915aeebca 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054305.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS054305 -RECORD_TITLE: Cystosol, D-Sorbit, D-1,2,3,4,5,6-Hexanehexol, Diakarmon, Sorbol, Esasorb, D-Glucitol, D-Sorbitol, D-Sorbol, Glucarine; LC-ESI-QQ; MS2 +RECORD_TITLE: Cystosol, D-Sorbit, D-1,2,3,4,5,6-Hexanehexol, Diakarmon, Sorbol, Esasorb, D-Glucitol, D-Sorbitol, D-Sorbol, Glucarine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5780 CH$LINK: INCHIKEY FBPFZTCFMRRESA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054307.txt index 4d5032038e5..36996f3c2ad 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS054307 -RECORD_TITLE: Cystosol, D-Sorbit, D-1,2,3,4,5,6-Hexanehexol, Diakarmon, Sorbol, Esasorb, D-Glucitol, D-Sorbitol, D-Sorbol, Glucarine; LC-ESI-QQ; MS2 +RECORD_TITLE: Cystosol, D-Sorbit, D-1,2,3,4,5,6-Hexanehexol, Diakarmon, Sorbol, Esasorb, D-Glucitol, D-Sorbitol, D-Sorbol, Glucarine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5780 CH$LINK: INCHIKEY FBPFZTCFMRRESA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054401.txt index 6de3da534ca..da4dbff9ca5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS054401 -RECORD_TITLE: Galactitol, Melampyrin, 1,2,3,4,5,6-Hexanehexol, Melampyrum, Dulcitol, Melampyrite, Dulcite, Dulcin, Galactit, Dulcose, Euonymit; LC-ESI-QQ; MS2 +RECORD_TITLE: Galactitol, Melampyrin, 1,2,3,4,5,6-Hexanehexol, Melampyrum, Dulcitol, Melampyrite, Dulcite, Dulcin, Galactit, Dulcose, Euonymit; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:11850 CH$LINK: INCHIKEY FBPFZTCFMRRESA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054407.txt index 79bffbc39b9..66ee04180b7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS054407 -RECORD_TITLE: Galactitol, Melampyrin, 1,2,3,4,5,6-Hexanehexol, Melampyrum, Dulcitol, Melampyrite, Dulcite, Dulcin, Galactit, Dulcose, Euonymit; LC-ESI-QQ; MS2 +RECORD_TITLE: Galactitol, Melampyrin, 1,2,3,4,5,6-Hexanehexol, Melampyrum, Dulcitol, Melampyrite, Dulcite, Dulcin, Galactit, Dulcose, Euonymit; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:11850 CH$LINK: INCHIKEY FBPFZTCFMRRESA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054501.txt index 600c089755b..b6266a8789d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS054501 -RECORD_TITLE: alpha-1,6-Glucobiose, Isomaltose, 6-O-alpha-D-Glucopyranosyl-D-glucose, Glc(alpha1-6)Glc, Brachiose; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-1,6-Glucobiose, Isomaltose, 6-O-alpha-D-Glucopyranosyl-D-glucose, Glc(alpha1-6)Glc, Brachiose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439193 CH$LINK: INCHIKEY DLRVVLDZNNYCBX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054607.txt index cfa09831cf5..224718a9f2e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS054607 -RECORD_TITLE: 4-O-beta-D-Galactopyranosyl-D-fructose, Lactulosa, Cephulac, Isolactose, Lactulose, 4-O-beta-D-Galactopyranosyl-D-fructofuranose, Chronulac, Gal(beta1-4)Fru, Laevolac, Bifiteral; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-O-beta-D-Galactopyranosyl-D-fructose, Lactulosa, Cephulac, Isolactose, Lactulose, 4-O-beta-D-Galactopyranosyl-D-fructofuranose, Chronulac, Gal(beta1-4)Fru, Laevolac, Bifiteral; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:11333 CH$LINK: INCHIKEY JCQLYHFGKNRPGE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054608.txt index d5248848859..705cec2b87f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS054608 -RECORD_TITLE: 4-O-beta-D-Galactopyranosyl-D-fructose, Lactulosa, Cephulac, Isolactose, Lactulose, 4-O-beta-D-Galactopyranosyl-D-fructofuranose, Chronulac, Gal(beta1-4)Fru, Laevolac, Bifiteral; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-O-beta-D-Galactopyranosyl-D-fructose, Lactulosa, Cephulac, Isolactose, Lactulose, 4-O-beta-D-Galactopyranosyl-D-fructofuranose, Chronulac, Gal(beta1-4)Fru, Laevolac, Bifiteral; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:11333 CH$LINK: INCHIKEY JCQLYHFGKNRPGE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054701.txt index 2c0585f7282..2eca7eada6e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS054701 -RECORD_TITLE: Malbit, Amalti Syrup, 4-O-alpha-Glucopyranosyl-D-glucitol, Maltit, Maltisorb, 4-O-alpha-Glucopyranosyl-D-sorbitol, Maltitol, D-4-O-alpha-D-Glucopyranosylglucitol; LC-ESI-QQ; MS2 +RECORD_TITLE: Malbit, Amalti Syrup, 4-O-alpha-Glucopyranosyl-D-glucitol, Maltit, Maltisorb, 4-O-alpha-Glucopyranosyl-D-sorbitol, Maltitol, D-4-O-alpha-D-Glucopyranosylglucitol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:493591 CH$LINK: INCHIKEY VQHSOMBJVWLPSR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001766; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054702.txt index a2a430d5d49..27770c42585 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS054702 -RECORD_TITLE: Malbit, Amalti Syrup, 4-O-alpha-Glucopyranosyl-D-glucitol, Maltit, Maltisorb, 4-O-alpha-Glucopyranosyl-D-sorbitol, Maltitol, D-4-O-alpha-D-Glucopyranosylglucitol; LC-ESI-QQ; MS2 +RECORD_TITLE: Malbit, Amalti Syrup, 4-O-alpha-Glucopyranosyl-D-glucitol, Maltit, Maltisorb, 4-O-alpha-Glucopyranosyl-D-sorbitol, Maltitol, D-4-O-alpha-D-Glucopyranosylglucitol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:493591 CH$LINK: INCHIKEY VQHSOMBJVWLPSR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001766; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054707.txt index d4d89778c8a..838a6d5355d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS054707 -RECORD_TITLE: Malbit, Amalti Syrup, 4-O-alpha-Glucopyranosyl-D-glucitol, Maltit, Maltisorb, 4-O-alpha-Glucopyranosyl-D-sorbitol, Maltitol, D-4-O-alpha-D-Glucopyranosylglucitol; LC-ESI-QQ; MS2 +RECORD_TITLE: Malbit, Amalti Syrup, 4-O-alpha-Glucopyranosyl-D-glucitol, Maltit, Maltisorb, 4-O-alpha-Glucopyranosyl-D-sorbitol, Maltitol, D-4-O-alpha-D-Glucopyranosylglucitol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:493591 CH$LINK: INCHIKEY VQHSOMBJVWLPSR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001766; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054709.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054709.txt index aa50a2b2a99..d2c945d5458 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054709.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054709.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS054709 -RECORD_TITLE: Malbit, Amalti Syrup, 4-O-alpha-Glucopyranosyl-D-glucitol, Maltit, Maltisorb, 4-O-alpha-Glucopyranosyl-D-sorbitol, Maltitol, D-4-O-alpha-D-Glucopyranosylglucitol; LC-ESI-QQ; MS2 +RECORD_TITLE: Malbit, Amalti Syrup, 4-O-alpha-Glucopyranosyl-D-glucitol, Maltit, Maltisorb, 4-O-alpha-Glucopyranosyl-D-sorbitol, Maltitol, D-4-O-alpha-D-Glucopyranosylglucitol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:493591 CH$LINK: INCHIKEY VQHSOMBJVWLPSR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001766; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054710.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054710.txt index 825d3a42651..74bf07ddd7c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054710.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054710.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS054710 -RECORD_TITLE: Malbit, Amalti Syrup, 4-O-alpha-Glucopyranosyl-D-glucitol, Maltit, Maltisorb, 4-O-alpha-Glucopyranosyl-D-sorbitol, Maltitol, D-4-O-alpha-D-Glucopyranosylglucitol; LC-ESI-QQ; MS2 +RECORD_TITLE: Malbit, Amalti Syrup, 4-O-alpha-Glucopyranosyl-D-glucitol, Maltit, Maltisorb, 4-O-alpha-Glucopyranosyl-D-sorbitol, Maltitol, D-4-O-alpha-D-Glucopyranosylglucitol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:493591 CH$LINK: INCHIKEY VQHSOMBJVWLPSR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001766; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054801.txt index 12ee9b1e92f..6aeba2613a2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS054801 -RECORD_TITLE: (Glc(alpha1-4)Glc(alpha1-4)Glc), Triomaltose, Amylotriose, O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose, alpha-1,4-Glucotriose, Maltotriose; LC-ESI-QQ; MS2 +RECORD_TITLE: (Glc(alpha1-4)Glc(alpha1-4)Glc), Triomaltose, Amylotriose, O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose, alpha-1,4-Glucotriose, Maltotriose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439586 CH$LINK: INCHIKEY FYGDTMLNYKFZSV-DZOUCCHMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054802.txt index 80be44ad99b..41fc5e2b57b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS054802 -RECORD_TITLE: (Glc(alpha1-4)Glc(alpha1-4)Glc), Triomaltose, Amylotriose, O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose, alpha-1,4-Glucotriose, Maltotriose; LC-ESI-QQ; MS2 +RECORD_TITLE: (Glc(alpha1-4)Glc(alpha1-4)Glc), Triomaltose, Amylotriose, O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose, alpha-1,4-Glucotriose, Maltotriose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439586 CH$LINK: INCHIKEY FYGDTMLNYKFZSV-DZOUCCHMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054803.txt index 0696611ce6f..5e5b0dbc9b5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS054803 -RECORD_TITLE: (Glc(alpha1-4)Glc(alpha1-4)Glc), Triomaltose, Amylotriose, O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose, alpha-1,4-Glucotriose, Maltotriose; LC-ESI-QQ; MS2 +RECORD_TITLE: (Glc(alpha1-4)Glc(alpha1-4)Glc), Triomaltose, Amylotriose, O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose, alpha-1,4-Glucotriose, Maltotriose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439586 CH$LINK: INCHIKEY FYGDTMLNYKFZSV-DZOUCCHMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054804.txt index cc97c5df99b..e9eec323704 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS054804 -RECORD_TITLE: (Glc(alpha1-4)Glc(alpha1-4)Glc), Triomaltose, Amylotriose, O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose, alpha-1,4-Glucotriose, Maltotriose; LC-ESI-QQ; MS2 +RECORD_TITLE: (Glc(alpha1-4)Glc(alpha1-4)Glc), Triomaltose, Amylotriose, O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose, alpha-1,4-Glucotriose, Maltotriose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439586 CH$LINK: INCHIKEY FYGDTMLNYKFZSV-DZOUCCHMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054805.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054805.txt index ae5f2c53149..43726170c57 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054805.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS054805 -RECORD_TITLE: (Glc(alpha1-4)Glc(alpha1-4)Glc), Triomaltose, Amylotriose, O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose, alpha-1,4-Glucotriose, Maltotriose; LC-ESI-QQ; MS2 +RECORD_TITLE: (Glc(alpha1-4)Glc(alpha1-4)Glc), Triomaltose, Amylotriose, O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose, alpha-1,4-Glucotriose, Maltotriose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439586 CH$LINK: INCHIKEY FYGDTMLNYKFZSV-DZOUCCHMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054807.txt index 5194e5dbca2..b6c36827d5d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS054807 -RECORD_TITLE: (Glc(alpha1-4)Glc(alpha1-4)Glc), Triomaltose, Amylotriose, O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose, alpha-1,4-Glucotriose, Maltotriose; LC-ESI-QQ; MS2 +RECORD_TITLE: (Glc(alpha1-4)Glc(alpha1-4)Glc), Triomaltose, Amylotriose, O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose, alpha-1,4-Glucotriose, Maltotriose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439586 CH$LINK: INCHIKEY FYGDTMLNYKFZSV-DZOUCCHMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054808.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054808.txt index 8d61d68a34a..42fb1197a1d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054808.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS054808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS054808 -RECORD_TITLE: (Glc(alpha1-4)Glc(alpha1-4)Glc), Triomaltose, Amylotriose, O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose, alpha-1,4-Glucotriose, Maltotriose; LC-ESI-QQ; MS2 +RECORD_TITLE: (Glc(alpha1-4)Glc(alpha1-4)Glc), Triomaltose, Amylotriose, O-alpha-D-glucopyranosyl-O-alpha-D-glucopyranosyl-D-glucose, alpha-1,4-Glucotriose, Maltotriose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439586 CH$LINK: INCHIKEY FYGDTMLNYKFZSV-DZOUCCHMSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS055001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS055001.txt index 000cf13f934..a12741c0902 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS055001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS055001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS055001 -RECORD_TITLE: Xylitol, Xylosic alcohol, Newtol, Wood sugar alcohol, Xylite, Xylisorb, Kylit, Eutrit, Xyliton; LC-ESI-QQ; MS2 +RECORD_TITLE: Xylitol, Xylosic alcohol, Newtol, Wood sugar alcohol, Xylite, Xylisorb, Kylit, Eutrit, Xyliton; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:6912 CH$LINK: INCHIKEY HEBKCHPVOIAQTA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS055007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS055007.txt index 80428884085..f3a17e05a84 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS055007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS055007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS055007 -RECORD_TITLE: Xylitol, Xylosic alcohol, Newtol, Wood sugar alcohol, Xylite, Xylisorb, Kylit, Eutrit, Xyliton; LC-ESI-QQ; MS2 +RECORD_TITLE: Xylitol, Xylosic alcohol, Newtol, Wood sugar alcohol, Xylite, Xylisorb, Kylit, Eutrit, Xyliton; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:6912 CH$LINK: INCHIKEY HEBKCHPVOIAQTA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS055104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS055104.txt index 487594767d9..03762e8590d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS055104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS055104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS055104 -RECORD_TITLE: Xylobiose, 4-O-beta-D-xylopyranosyl-D-Xylose; LC-ESI-QQ; MS2 +RECORD_TITLE: Xylobiose, 4-O-beta-D-xylopyranosyl-D-Xylose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:439538 CH$LINK: INCHIKEY LGQKSQQRKHFMLI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS055907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS055907.txt index ec8450123a3..54e1fd47298 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS055907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS055907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS055907 -RECORD_TITLE: 2,5-Dihydroxyphenylacetate, 2,5-Dihydroxyphenylacetic acid, Homogentisate, 2,5-Dihydroxybenzeneacetic acid, 2,5-DHPOP, Alcapton, Homogentisinic acid, Homogentisic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 2,5-Dihydroxyphenylacetate, 2,5-Dihydroxyphenylacetic acid, Homogentisate, 2,5-Dihydroxybenzeneacetic acid, 2,5-DHPOP, Alcapton, Homogentisinic acid, Homogentisic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:780 CH$LINK: INCHIKEY IGMNYECMUMZDDF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000418; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS055908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS055908.txt index 33d08f8f89e..4de1a206bff 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS055908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS055908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS055908 -RECORD_TITLE: 2,5-Dihydroxyphenylacetate, 2,5-Dihydroxyphenylacetic acid, Homogentisate, 2,5-Dihydroxybenzeneacetic acid, 2,5-DHPOP, Alcapton, Homogentisinic acid, Homogentisic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 2,5-Dihydroxyphenylacetate, 2,5-Dihydroxyphenylacetic acid, Homogentisate, 2,5-Dihydroxybenzeneacetic acid, 2,5-DHPOP, Alcapton, Homogentisinic acid, Homogentisic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:780 CH$LINK: INCHIKEY IGMNYECMUMZDDF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000418; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS056001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS056001.txt index 9eee49da9b3..fd97b342a8b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS056001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS056001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS056001 -RECORD_TITLE: Propanedione, Pyruvic aldehyde, 2-Oxopropanal, Pyruvaldehyde, Propanolone, 2-Oxopropionaldehyde, Acetylformaldehyde, alpha-Ketopropionaldehyde, Methylglyoxal solution ; LC-ESI-QQ; MS2 +RECORD_TITLE: Propanedione, Pyruvic aldehyde, 2-Oxopropanal, Pyruvaldehyde, Propanolone, 2-Oxopropionaldehyde, Acetylformaldehyde, alpha-Ketopropionaldehyde, Methylglyoxal solution ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:880 CH$LINK: INCHIKEY AIJULSRZWUXGPQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS056601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS056601.txt index 6d47e9a9a27..2a4abe7dced 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS056601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS056601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS056601 -RECORD_TITLE: cis-9-Hexadecenoic acid, Palmitolinoleic acid, Palmitoleic acid, Palmitoleate; LC-ESI-QQ; MS2 +RECORD_TITLE: cis-9-Hexadecenoic acid, Palmitolinoleic acid, Palmitoleic acid, Palmitoleate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:445638 CH$LINK: INCHIKEY SECPZKHBENQXJG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS056602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS056602.txt index 8b9338eba73..5cacf2ecdfc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS056602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS056602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS056602 -RECORD_TITLE: cis-9-Hexadecenoic acid, Palmitolinoleic acid, Palmitoleic acid, Palmitoleate; LC-ESI-QQ; MS2 +RECORD_TITLE: cis-9-Hexadecenoic acid, Palmitolinoleic acid, Palmitoleic acid, Palmitoleate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:445638 CH$LINK: INCHIKEY SECPZKHBENQXJG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057203.txt index 0e627ca56c8..eacf9b8c3a5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS057203 -RECORD_TITLE: Glutaryl coenzyme A Litium salt, 4-carboxybutanoyl-CoA, glutaryl-CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: Glutaryl coenzyme A Litium salt, 4-carboxybutanoyl-CoA, glutaryl-CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439252 CH$LINK: INCHIKEY SYKWLIJQEHRDNH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003327; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acyl thioesters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057301.txt index efadef7e9d9..258912526c8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS057301 -RECORD_TITLE: 3-Hydroxyanthranilate, 3-Oxyanthranilic acid, 3-Hydroxyanthranilic acid, 2-Amino-3-hydroxybenzoic acid, 3-Ohaa; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Hydroxyanthranilate, 3-Oxyanthranilic acid, 3-Hydroxyanthranilic acid, 2-Amino-3-hydroxybenzoic acid, 3-Ohaa; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:86 CH$LINK: INCHIKEY WJXSWCUQABXPFS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057302.txt index a76b06b66fe..7c2709c197c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS057302 -RECORD_TITLE: 3-Hydroxyanthranilate, 3-Oxyanthranilic acid, 3-Hydroxyanthranilic acid, 2-Amino-3-hydroxybenzoic acid, 3-Ohaa; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Hydroxyanthranilate, 3-Oxyanthranilic acid, 3-Hydroxyanthranilic acid, 2-Amino-3-hydroxybenzoic acid, 3-Ohaa; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:86 CH$LINK: INCHIKEY WJXSWCUQABXPFS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057303.txt index 125365ae402..e6ff447b66a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS057303 -RECORD_TITLE: 3-Hydroxyanthranilate, 3-Oxyanthranilic acid, 3-Hydroxyanthranilic acid, 2-Amino-3-hydroxybenzoic acid, 3-Ohaa; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Hydroxyanthranilate, 3-Oxyanthranilic acid, 3-Hydroxyanthranilic acid, 2-Amino-3-hydroxybenzoic acid, 3-Ohaa; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:86 CH$LINK: INCHIKEY WJXSWCUQABXPFS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057304.txt index f9d646af8ae..3ea4c6c5fa5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS057304 -RECORD_TITLE: 3-Hydroxyanthranilate, 3-Oxyanthranilic acid, 3-Hydroxyanthranilic acid, 2-Amino-3-hydroxybenzoic acid, 3-Ohaa; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Hydroxyanthranilate, 3-Oxyanthranilic acid, 3-Hydroxyanthranilic acid, 2-Amino-3-hydroxybenzoic acid, 3-Ohaa; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:86 CH$LINK: INCHIKEY WJXSWCUQABXPFS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057305.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057305.txt index a580817db0f..f07954e1240 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057305.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS057305 -RECORD_TITLE: 3-Hydroxyanthranilate, 3-Oxyanthranilic acid, 3-Hydroxyanthranilic acid, 2-Amino-3-hydroxybenzoic acid, 3-Ohaa; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Hydroxyanthranilate, 3-Oxyanthranilic acid, 3-Hydroxyanthranilic acid, 2-Amino-3-hydroxybenzoic acid, 3-Ohaa; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:86 CH$LINK: INCHIKEY WJXSWCUQABXPFS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057306.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057306.txt index b9c18e6b1c1..54d89bfe9cd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057306.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057306.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS057306 -RECORD_TITLE: 3-Hydroxyanthranilate, 3-Oxyanthranilic acid, 3-Hydroxyanthranilic acid, 2-Amino-3-hydroxybenzoic acid, 3-Ohaa; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Hydroxyanthranilate, 3-Oxyanthranilic acid, 3-Hydroxyanthranilic acid, 2-Amino-3-hydroxybenzoic acid, 3-Ohaa; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:86 CH$LINK: INCHIKEY WJXSWCUQABXPFS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057401.txt index 4133c7ec68d..f5ab78b61b2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS057401 -RECORD_TITLE: (1R,2R)-3-Oxo-2-(2Z)-2-pentenylcyclopentanacetic Acid, (+-)-Jasmonic acid, JA, Jasmonate; LC-ESI-QQ; MS2 +RECORD_TITLE: (1R,2R)-3-Oxo-2-(2Z)-2-pentenylcyclopentanacetic Acid, (+-)-Jasmonic acid, JA, Jasmonate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5281166 CH$LINK: INCHIKEY ZNJFBWYDHIGLCU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000504; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057407.txt index 4ab4e96c965..798b6fbb3d7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS057407 -RECORD_TITLE: (1R,2R)-3-Oxo-2-(2Z)-2-pentenylcyclopentanacetic Acid, (+-)-Jasmonic acid, JA, Jasmonate; LC-ESI-QQ; MS2 +RECORD_TITLE: (1R,2R)-3-Oxo-2-(2Z)-2-pentenylcyclopentanacetic Acid, (+-)-Jasmonic acid, JA, Jasmonate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5281166 CH$LINK: INCHIKEY ZNJFBWYDHIGLCU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000504; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057408.txt index a995038cdd9..1a47258ad29 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS057408 -RECORD_TITLE: (1R,2R)-3-Oxo-2-(2Z)-2-pentenylcyclopentanacetic Acid, (+-)-Jasmonic acid, JA, Jasmonate; LC-ESI-QQ; MS2 +RECORD_TITLE: (1R,2R)-3-Oxo-2-(2Z)-2-pentenylcyclopentanacetic Acid, (+-)-Jasmonic acid, JA, Jasmonate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5281166 CH$LINK: INCHIKEY ZNJFBWYDHIGLCU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000504; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057409.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057409.txt index 3e3f9a1ca5c..2c98dae4045 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057409.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS057409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS057409 -RECORD_TITLE: (1R,2R)-3-Oxo-2-(2Z)-2-pentenylcyclopentanacetic Acid, (+-)-Jasmonic acid, JA, Jasmonate; LC-ESI-QQ; MS2 +RECORD_TITLE: (1R,2R)-3-Oxo-2-(2Z)-2-pentenylcyclopentanacetic Acid, (+-)-Jasmonic acid, JA, Jasmonate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5281166 CH$LINK: INCHIKEY ZNJFBWYDHIGLCU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000504; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058401.txt index 0a19908ccdc..d3d324eff7b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS058401 -RECORD_TITLE: Abscisic acid, Abscisate, (S)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-(2Z,4E)-pentadienoic acid, ABA, Dormin; LC-ESI-QQ; MS2 +RECORD_TITLE: Abscisic acid, Abscisate, (S)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-(2Z,4E)-pentadienoic acid, ABA, Dormin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5280896 CH$LINK: INCHIKEY JLIDBLDQVAYHNE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001550; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058407.txt index 8d83a7f8707..cb690fa451b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS058407 -RECORD_TITLE: Abscisic acid, Abscisate, (S)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-(2Z,4E)-pentadienoic acid, ABA, Dormin; LC-ESI-QQ; MS2 +RECORD_TITLE: Abscisic acid, Abscisate, (S)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-(2Z,4E)-pentadienoic acid, ABA, Dormin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5280896 CH$LINK: INCHIKEY JLIDBLDQVAYHNE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001550; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058408.txt index 30d3a11e0b9..73ef51c7c55 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS058408 -RECORD_TITLE: Abscisic acid, Abscisate, (S)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-(2Z,4E)-pentadienoic acid, ABA, Dormin; LC-ESI-QQ; MS2 +RECORD_TITLE: Abscisic acid, Abscisate, (S)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-(2Z,4E)-pentadienoic acid, ABA, Dormin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5280896 CH$LINK: INCHIKEY JLIDBLDQVAYHNE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001550; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058409.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058409.txt index d54730f3f19..395dae0a28d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058409.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS058409 -RECORD_TITLE: Abscisic acid, Abscisate, (S)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-(2Z,4E)-pentadienoic acid, ABA, Dormin; LC-ESI-QQ; MS2 +RECORD_TITLE: Abscisic acid, Abscisate, (S)-5-(1-Hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-(2Z,4E)-pentadienoic acid, ABA, Dormin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5280896 CH$LINK: INCHIKEY JLIDBLDQVAYHNE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001550; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058507.txt index 6b0df8906df..9127b16eb14 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS058507 -RECORD_TITLE: D-Gluco-hexonic acid, Glucose Acid, 2,3,4,5,6-Pentahydroxycaproic acid, Sodium D-gluconate, Glonsen, D-Gluconic acid sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Gluco-hexonic acid, Glucose Acid, 2,3,4,5,6-Pentahydroxycaproic acid, Sodium D-gluconate, Glonsen, D-Gluconic acid sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:10690 CH$LINK: INCHIKEY RGHNJXZEOKUKBD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000299; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Medium-chain hydroxy acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058901.txt index 024d77f433c..809e319b936 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS058901 -RECORD_TITLE: DL-Glyceraldehyde 3-phosphate solution, Glyceraldehyde-3P; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-Glyceraldehyde 3-phosphate solution, Glyceraldehyde-3P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:729 CH$LINK: INCHIKEY LXJXRIRHZLFYRP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058902.txt index 6c4a2a600a0..dcc4b887d7d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS058902 -RECORD_TITLE: DL-Glyceraldehyde 3-phosphate solution, Glyceraldehyde-3P; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-Glyceraldehyde 3-phosphate solution, Glyceraldehyde-3P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:729 CH$LINK: INCHIKEY LXJXRIRHZLFYRP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058903.txt index 494f76b4fbc..b76509b1612 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS058903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS058903 -RECORD_TITLE: DL-Glyceraldehyde 3-phosphate solution, Glyceraldehyde-3P; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-Glyceraldehyde 3-phosphate solution, Glyceraldehyde-3P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:729 CH$LINK: INCHIKEY LXJXRIRHZLFYRP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060307.txt index 20ed3e42602..54435822d9e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS060307 -RECORD_TITLE: UDP-beta-L-rhamnose, UDP-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: UDP-beta-L-rhamnose, UDP-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:23724469 CH$LINK: INCHIKEY DRDCJEIZVLVWNC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060308.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060308.txt index e1017af40bc..ae3d681ca55 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060308.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060308.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS060308 -RECORD_TITLE: UDP-beta-L-rhamnose, UDP-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: UDP-beta-L-rhamnose, UDP-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:23724469 CH$LINK: INCHIKEY DRDCJEIZVLVWNC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060407.txt index 6d98d46767a..b6d7382a3c1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS060407 -RECORD_TITLE: UDP-Xly, UDP-xylose; LC-ESI-QQ; MS2 +RECORD_TITLE: UDP-Xly, UDP-xylose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:23724459 CH$LINK: INCHIKEY DQQDLYVHOTZLOR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060408.txt index fcd261d9831..60db7d1a931 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS060408 -RECORD_TITLE: UDP-Xly, UDP-xylose; LC-ESI-QQ; MS2 +RECORD_TITLE: UDP-Xly, UDP-xylose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:23724459 CH$LINK: INCHIKEY DQQDLYVHOTZLOR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060409.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060409.txt index 9d4d9eff567..33881821a17 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060409.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS060409 -RECORD_TITLE: UDP-Xly, UDP-xylose; LC-ESI-QQ; MS2 +RECORD_TITLE: UDP-Xly, UDP-xylose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:23724459 CH$LINK: INCHIKEY DQQDLYVHOTZLOR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060410.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060410.txt index 172be43a7d0..8573d9e7f9e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060410.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060410.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS060410 -RECORD_TITLE: UDP-Xly, UDP-xylose; LC-ESI-QQ; MS2 +RECORD_TITLE: UDP-Xly, UDP-xylose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:23724459 CH$LINK: INCHIKEY DQQDLYVHOTZLOR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060501.txt index 0e1dc72edb5..793d579ca7f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS060501 -RECORD_TITLE: L-beta-homoglutamine-HCl, (S)-3-Aminoadipic acid 6-amide hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: L-beta-homoglutamine-HCl, (S)-3-Aminoadipic acid 6-amide hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:2761809 CH$LINK: INCHIKEY IDNSGZOFDGAHTI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060503.txt index 4258a88a97e..2753d7b275d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS060503 -RECORD_TITLE: L-beta-homoglutamine-HCl, (S)-3-Aminoadipic acid 6-amide hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: L-beta-homoglutamine-HCl, (S)-3-Aminoadipic acid 6-amide hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:2761809 CH$LINK: INCHIKEY IDNSGZOFDGAHTI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060506.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060506.txt index f8c04032334..9480579f002 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060506.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS060506 -RECORD_TITLE: L-beta-homoglutamine-HCl, (S)-3-Aminoadipic acid 6-amide hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: L-beta-homoglutamine-HCl, (S)-3-Aminoadipic acid 6-amide hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:2761809 CH$LINK: INCHIKEY IDNSGZOFDGAHTI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060507.txt index 7656adf36bb..ec2e01088d0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS060507 -RECORD_TITLE: L-beta-homoglutamine-HCl, (S)-3-Aminoadipic acid 6-amide hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: L-beta-homoglutamine-HCl, (S)-3-Aminoadipic acid 6-amide hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:2761809 CH$LINK: INCHIKEY IDNSGZOFDGAHTI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060701.txt index b9ec7ded063..e7ad80f8d84 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS060701 -RECORD_TITLE: L-beta-homoleucine-HCl, (S)-3-Amino-5-methylhexanoic acid hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: L-beta-homoleucine-HCl, (S)-3-Amino-5-methylhexanoic acid hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:2761525 CH$LINK: INCHIKEY MLYMSIKVLAPCAK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060702.txt index b2c24b8e1d0..479a39b7cce 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS060702 -RECORD_TITLE: L-beta-homoleucine-HCl, (S)-3-Amino-5-methylhexanoic acid hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: L-beta-homoleucine-HCl, (S)-3-Amino-5-methylhexanoic acid hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:2761525 CH$LINK: INCHIKEY MLYMSIKVLAPCAK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060703.txt index 6bc3a44e85e..91c6cd09396 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS060703 -RECORD_TITLE: L-beta-homoleucine-HCl, (S)-3-Amino-5-methylhexanoic acid hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: L-beta-homoleucine-HCl, (S)-3-Amino-5-methylhexanoic acid hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:2761525 CH$LINK: INCHIKEY MLYMSIKVLAPCAK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060704.txt index c8ee80f89d0..ca2cdc7b0f1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS060704 -RECORD_TITLE: L-beta-homoleucine-HCl, (S)-3-Amino-5-methylhexanoic acid hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: L-beta-homoleucine-HCl, (S)-3-Amino-5-methylhexanoic acid hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:2761525 CH$LINK: INCHIKEY MLYMSIKVLAPCAK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060801.txt index f08831cc988..75789206f2a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS060801 -RECORD_TITLE: L-beta-homolysine-2HCl, (3S)-3,7-diaminoheptanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-beta-homolysine-2HCl, (3S)-3,7-diaminoheptanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:2761529 CH$LINK: INCHIKEY PJDINCOFOROBQW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060802.txt index 15a21516d73..93649e912ea 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS060802 -RECORD_TITLE: L-beta-homolysine-2HCl, (3S)-3,7-diaminoheptanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-beta-homolysine-2HCl, (3S)-3,7-diaminoheptanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:2761529 CH$LINK: INCHIKEY PJDINCOFOROBQW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060803.txt index bcd7204a4e6..dfc7b431797 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS060803 -RECORD_TITLE: L-beta-homolysine-2HCl, (3S)-3,7-diaminoheptanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-beta-homolysine-2HCl, (3S)-3,7-diaminoheptanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:2761529 CH$LINK: INCHIKEY PJDINCOFOROBQW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060804.txt index d8364c5cac9..29a489f29fb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS060804 -RECORD_TITLE: L-beta-homolysine-2HCl, (3S)-3,7-diaminoheptanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-beta-homolysine-2HCl, (3S)-3,7-diaminoheptanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:2761529 CH$LINK: INCHIKEY PJDINCOFOROBQW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060901.txt index 439947ce788..b742c124c84 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS060901 -RECORD_TITLE: R-3-Amino-5-(methylthio)pentanoic acid hydrochloride, L-beta-homomethionine-HCl; LC-ESI-QQ; MS2 +RECORD_TITLE: R-3-Amino-5-(methylthio)pentanoic acid hydrochloride, L-beta-homomethionine-HCl; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5706673 CH$LINK: INCHIKEY QWVNCDVONVDGDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060902.txt index 037666fd73e..ca7bd03ff90 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS060902 -RECORD_TITLE: R-3-Amino-5-(methylthio)pentanoic acid hydrochloride, L-beta-homomethionine-HCl; LC-ESI-QQ; MS2 +RECORD_TITLE: R-3-Amino-5-(methylthio)pentanoic acid hydrochloride, L-beta-homomethionine-HCl; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5706673 CH$LINK: INCHIKEY QWVNCDVONVDGDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060903.txt index 6aab0262816..b99c4c517e9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS060903 -RECORD_TITLE: R-3-Amino-5-(methylthio)pentanoic acid hydrochloride, L-beta-homomethionine-HCl; LC-ESI-QQ; MS2 +RECORD_TITLE: R-3-Amino-5-(methylthio)pentanoic acid hydrochloride, L-beta-homomethionine-HCl; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5706673 CH$LINK: INCHIKEY QWVNCDVONVDGDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060904.txt index 6f1e60bb959..763eaa48c13 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS060904 -RECORD_TITLE: R-3-Amino-5-(methylthio)pentanoic acid hydrochloride, L-beta-homomethionine-HCl; LC-ESI-QQ; MS2 +RECORD_TITLE: R-3-Amino-5-(methylthio)pentanoic acid hydrochloride, L-beta-homomethionine-HCl; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5706673 CH$LINK: INCHIKEY QWVNCDVONVDGDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060905.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060905.txt index 75fab3b82cf..a88cf81252f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060905.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS060905 -RECORD_TITLE: R-3-Amino-5-(methylthio)pentanoic acid hydrochloride, L-beta-homomethionine-HCl; LC-ESI-QQ; MS2 +RECORD_TITLE: R-3-Amino-5-(methylthio)pentanoic acid hydrochloride, L-beta-homomethionine-HCl; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5706673 CH$LINK: INCHIKEY QWVNCDVONVDGDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060906.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060906.txt index 0448b20971a..4e0d72212d1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060906.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS060906.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS060906 -RECORD_TITLE: R-3-Amino-5-(methylthio)pentanoic acid hydrochloride, L-beta-homomethionine-HCl; LC-ESI-QQ; MS2 +RECORD_TITLE: R-3-Amino-5-(methylthio)pentanoic acid hydrochloride, L-beta-homomethionine-HCl; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5706673 CH$LINK: INCHIKEY QWVNCDVONVDGDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061201.txt index cdb453a7fcc..03d4e9eef93 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS061201 -RECORD_TITLE: (S)-2-(2-Pyrrolidinyl)acetic acid hydrochloride, L-beta-homoproline-HCl; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-2-(2-Pyrrolidinyl)acetic acid hydrochloride, L-beta-homoproline-HCl; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:2761541 CH$LINK: INCHIKEY ADSALMJPJUKESW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000218; Organic compounds; Organoheterocyclic compounds; Pyrrolidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061202.txt index d6ddf750001..9fdfc781c43 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS061202 -RECORD_TITLE: (S)-2-(2-Pyrrolidinyl)acetic acid hydrochloride, L-beta-homoproline-HCl; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-2-(2-Pyrrolidinyl)acetic acid hydrochloride, L-beta-homoproline-HCl; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:2761541 CH$LINK: INCHIKEY ADSALMJPJUKESW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000218; Organic compounds; Organoheterocyclic compounds; Pyrrolidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061203.txt index 98f453949c9..d5531029160 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS061203 -RECORD_TITLE: (S)-2-(2-Pyrrolidinyl)acetic acid hydrochloride, L-beta-homoproline-HCl; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-2-(2-Pyrrolidinyl)acetic acid hydrochloride, L-beta-homoproline-HCl; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:2761541 CH$LINK: INCHIKEY ADSALMJPJUKESW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000218; Organic compounds; Organoheterocyclic compounds; Pyrrolidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061204.txt index 17a1452972f..8212838c962 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS061204 -RECORD_TITLE: (S)-2-(2-Pyrrolidinyl)acetic acid hydrochloride, L-beta-homoproline-HCl; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-2-(2-Pyrrolidinyl)acetic acid hydrochloride, L-beta-homoproline-HCl; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:2761541 CH$LINK: INCHIKEY ADSALMJPJUKESW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000218; Organic compounds; Organoheterocyclic compounds; Pyrrolidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061205.txt index d90c17048f0..187d37dea33 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS061205 -RECORD_TITLE: (S)-2-(2-Pyrrolidinyl)acetic acid hydrochloride, L-beta-homoproline-HCl; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-2-(2-Pyrrolidinyl)acetic acid hydrochloride, L-beta-homoproline-HCl; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:2761541 CH$LINK: INCHIKEY ADSALMJPJUKESW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000218; Organic compounds; Organoheterocyclic compounds; Pyrrolidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061206.txt index f1a5d21b258..c5f7f6c7b13 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS061206 -RECORD_TITLE: (S)-2-(2-Pyrrolidinyl)acetic acid hydrochloride, L-beta-homoproline-HCl; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-2-(2-Pyrrolidinyl)acetic acid hydrochloride, L-beta-homoproline-HCl; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:2761541 CH$LINK: INCHIKEY ADSALMJPJUKESW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000218; Organic compounds; Organoheterocyclic compounds; Pyrrolidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061301.txt index a35eb56a952..c164077bdb5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS061301 -RECORD_TITLE: L-beta-homoserine, (R)-3-Amino-4-hydroxybutyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-beta-homoserine, (R)-3-Amino-4-hydroxybutyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:1502076 CH$LINK: INCHIKEY BUZICZZQJDLXJN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061302.txt index 18a46f649d5..5664dcb5335 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS061302 -RECORD_TITLE: L-beta-homoserine, (R)-3-Amino-4-hydroxybutyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-beta-homoserine, (R)-3-Amino-4-hydroxybutyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:1502076 CH$LINK: INCHIKEY BUZICZZQJDLXJN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061303.txt index 62d60746241..8fdf7372fd6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS061303 -RECORD_TITLE: L-beta-homoserine, (R)-3-Amino-4-hydroxybutyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-beta-homoserine, (R)-3-Amino-4-hydroxybutyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:1502076 CH$LINK: INCHIKEY BUZICZZQJDLXJN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061304.txt index a79c3316ab3..f89d3c723e7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS061304 -RECORD_TITLE: L-beta-homoserine, (R)-3-Amino-4-hydroxybutyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-beta-homoserine, (R)-3-Amino-4-hydroxybutyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:1502076 CH$LINK: INCHIKEY BUZICZZQJDLXJN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061501.txt index 122f9cdd80d..a7d9dc8593e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS061501 -RECORD_TITLE: L-beta-homotryptophan-HCl, (S)-3-Amino-4-(3-indolyl)butyric acid hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: L-beta-homotryptophan-HCl, (S)-3-Amino-4-(3-indolyl)butyric acid hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:2761550 CH$LINK: INCHIKEY DUVVFMLAHWNDJD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061502.txt index ec09fb163c7..1fc648882bf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS061502 -RECORD_TITLE: L-beta-homotryptophan-HCl, (S)-3-Amino-4-(3-indolyl)butyric acid hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: L-beta-homotryptophan-HCl, (S)-3-Amino-4-(3-indolyl)butyric acid hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:2761550 CH$LINK: INCHIKEY DUVVFMLAHWNDJD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061503.txt index 7e1d8ef176d..7ad695304fe 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS061503 -RECORD_TITLE: L-beta-homotryptophan-HCl, (S)-3-Amino-4-(3-indolyl)butyric acid hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: L-beta-homotryptophan-HCl, (S)-3-Amino-4-(3-indolyl)butyric acid hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:2761550 CH$LINK: INCHIKEY DUVVFMLAHWNDJD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061504.txt index a6f985fe48f..66c4715efca 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS061504 -RECORD_TITLE: L-beta-homotryptophan-HCl, (S)-3-Amino-4-(3-indolyl)butyric acid hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: L-beta-homotryptophan-HCl, (S)-3-Amino-4-(3-indolyl)butyric acid hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:2761550 CH$LINK: INCHIKEY DUVVFMLAHWNDJD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061601.txt index 29748bc653c..8cba2775094 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS061601 -RECORD_TITLE: (S)-3-Amino-4-(4-hydroxyphenyl)butyric acid hydrochloride, L-beta-homotyrosine-HCl; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-3-Amino-4-(4-hydroxyphenyl)butyric acid hydrochloride, L-beta-homotyrosine-HCl; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:2761554 CH$LINK: INCHIKEY VUNPIAMEJXBAFP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061602.txt index 08bc0c03747..2c24d349d1e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS061602 -RECORD_TITLE: (S)-3-Amino-4-(4-hydroxyphenyl)butyric acid hydrochloride, L-beta-homotyrosine-HCl; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-3-Amino-4-(4-hydroxyphenyl)butyric acid hydrochloride, L-beta-homotyrosine-HCl; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:2761554 CH$LINK: INCHIKEY VUNPIAMEJXBAFP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061603.txt index c531f354afd..e51d2d51cb8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS061603 -RECORD_TITLE: (S)-3-Amino-4-(4-hydroxyphenyl)butyric acid hydrochloride, L-beta-homotyrosine-HCl; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-3-Amino-4-(4-hydroxyphenyl)butyric acid hydrochloride, L-beta-homotyrosine-HCl; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:2761554 CH$LINK: INCHIKEY VUNPIAMEJXBAFP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061604.txt index 0d2ba2644e2..3ce226a305d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS061604 -RECORD_TITLE: (S)-3-Amino-4-(4-hydroxyphenyl)butyric acid hydrochloride, L-beta-homotyrosine-HCl; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-3-Amino-4-(4-hydroxyphenyl)butyric acid hydrochloride, L-beta-homotyrosine-HCl; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:2761554 CH$LINK: INCHIKEY VUNPIAMEJXBAFP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061701.txt index f018e5af28e..88a5b42e2aa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS061701 -RECORD_TITLE: (R)-3-Amino-4-methylvaleric acid, L-beta-Leucine hydrochloride, (R)-3-Amino-4-methylpentanoic acid hydrochloride, L-beta-homovaline-HCl; LC-ESI-QQ; MS2 +RECORD_TITLE: (R)-3-Amino-4-methylvaleric acid, L-beta-Leucine hydrochloride, (R)-3-Amino-4-methylpentanoic acid hydrochloride, L-beta-homovaline-HCl; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:2761558 CH$LINK: INCHIKEY GLUJNGJDHCTUJY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061702.txt index b77f2a355c9..6f946132645 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS061702 -RECORD_TITLE: (R)-3-Amino-4-methylvaleric acid, L-beta-Leucine hydrochloride, (R)-3-Amino-4-methylpentanoic acid hydrochloride, L-beta-homovaline-HCl; LC-ESI-QQ; MS2 +RECORD_TITLE: (R)-3-Amino-4-methylvaleric acid, L-beta-Leucine hydrochloride, (R)-3-Amino-4-methylpentanoic acid hydrochloride, L-beta-homovaline-HCl; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:2761558 CH$LINK: INCHIKEY GLUJNGJDHCTUJY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061703.txt index 4a28d7728db..6d2b4dd512b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS061703 -RECORD_TITLE: (R)-3-Amino-4-methylvaleric acid, L-beta-Leucine hydrochloride, (R)-3-Amino-4-methylpentanoic acid hydrochloride, L-beta-homovaline-HCl; LC-ESI-QQ; MS2 +RECORD_TITLE: (R)-3-Amino-4-methylvaleric acid, L-beta-Leucine hydrochloride, (R)-3-Amino-4-methylpentanoic acid hydrochloride, L-beta-homovaline-HCl; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:2761558 CH$LINK: INCHIKEY GLUJNGJDHCTUJY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061801.txt index 67bbd4334a6..d9647e23838 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS061801 -RECORD_TITLE: (3R,4R)-3-Amino-4-hydroxypentanoic acid, L-beta-homothreonine; LC-ESI-QQ; MS2 +RECORD_TITLE: (3R,4R)-3-Amino-4-hydroxypentanoic acid, L-beta-homothreonine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5706676 CH$LINK: INCHIKEY NIVRJEWVLMOZNV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061802.txt index d281a7c4d9b..d9d145f5a72 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS061802 -RECORD_TITLE: (3R,4R)-3-Amino-4-hydroxypentanoic acid, L-beta-homothreonine; LC-ESI-QQ; MS2 +RECORD_TITLE: (3R,4R)-3-Amino-4-hydroxypentanoic acid, L-beta-homothreonine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5706676 CH$LINK: INCHIKEY NIVRJEWVLMOZNV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061803.txt index 260bcd6471e..8b7d4cc5c52 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS061803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS061803 -RECORD_TITLE: (3R,4R)-3-Amino-4-hydroxypentanoic acid, L-beta-homothreonine; LC-ESI-QQ; MS2 +RECORD_TITLE: (3R,4R)-3-Amino-4-hydroxypentanoic acid, L-beta-homothreonine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5706676 CH$LINK: INCHIKEY NIVRJEWVLMOZNV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062001.txt index 2c59e9f2867..46764826fff 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS062001 -RECORD_TITLE: Pidopidon, Pyridoxal-5P, PLP, Codecarboxylase, 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde, Hairoxal, Pyridoxal 5-phosphate, Pyromijin, Pyridoxal-5'-phosphate monohydrate ; LC-ESI-QQ; MS2 +RECORD_TITLE: Pidopidon, Pyridoxal-5P, PLP, Codecarboxylase, 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde, Hairoxal, Pyridoxal 5-phosphate, Pyromijin, Pyridoxal-5'-phosphate monohydrate ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:1051 CH$LINK: INCHIKEY NGVDGCNFYWLIFO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062002.txt index e681c3356cb..0006c4183ac 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS062002 -RECORD_TITLE: Pidopidon, Pyridoxal-5P, PLP, Codecarboxylase, 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde, Hairoxal, Pyridoxal 5-phosphate, Pyromijin, Pyridoxal-5'-phosphate monohydrate ; LC-ESI-QQ; MS2 +RECORD_TITLE: Pidopidon, Pyridoxal-5P, PLP, Codecarboxylase, 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde, Hairoxal, Pyridoxal 5-phosphate, Pyromijin, Pyridoxal-5'-phosphate monohydrate ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:1051 CH$LINK: INCHIKEY NGVDGCNFYWLIFO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062003.txt index 18f251ef144..27718e39712 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS062003 -RECORD_TITLE: Pidopidon, Pyridoxal-5P, PLP, Codecarboxylase, 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde, Hairoxal, Pyridoxal 5-phosphate, Pyromijin, Pyridoxal-5'-phosphate monohydrate ; LC-ESI-QQ; MS2 +RECORD_TITLE: Pidopidon, Pyridoxal-5P, PLP, Codecarboxylase, 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde, Hairoxal, Pyridoxal 5-phosphate, Pyromijin, Pyridoxal-5'-phosphate monohydrate ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:1051 CH$LINK: INCHIKEY NGVDGCNFYWLIFO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062010.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062010.txt index 298aeb77d62..c139322c89f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062010.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062010.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS062010 -RECORD_TITLE: Pidopidon, Pyridoxal-5P, PLP, Codecarboxylase, 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde, Hairoxal, Pyridoxal 5-phosphate, Pyromijin, Pyridoxal-5'-phosphate monohydrate ; LC-ESI-QQ; MS2 +RECORD_TITLE: Pidopidon, Pyridoxal-5P, PLP, Codecarboxylase, 3-Hydroxy-2-methyl-5-((phosphonooxy)methyl)-4-pyridinecarboxaldehyde, Hairoxal, Pyridoxal 5-phosphate, Pyromijin, Pyridoxal-5'-phosphate monohydrate ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:1051 CH$LINK: INCHIKEY NGVDGCNFYWLIFO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002212; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridine carboxaldehydes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062101.txt index ad6232135db..5c1834f7d08 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS062101 -RECORD_TITLE: Phosphoenolpyruvic Acid Trisodium Salt monohydrate, 2-phosphonatoacrylate, Phosphoenolpyruvic acid, PEP, Phosphoenolpyruvate, 2-Phosphonooxyprop-2-enoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Phosphoenolpyruvic Acid Trisodium Salt monohydrate, 2-phosphonatoacrylate, Phosphoenolpyruvic acid, PEP, Phosphoenolpyruvate, 2-Phosphonooxyprop-2-enoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:1005 CH$LINK: INCHIKEY DTBNBXWJWCWCIK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062104.txt index 99e05f9a9b2..db25b5c71ac 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS062104 -RECORD_TITLE: Phosphoenolpyruvic Acid Trisodium Salt monohydrate, 2-phosphonatoacrylate, Phosphoenolpyruvic acid, PEP, Phosphoenolpyruvate, 2-Phosphonooxyprop-2-enoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Phosphoenolpyruvic Acid Trisodium Salt monohydrate, 2-phosphonatoacrylate, Phosphoenolpyruvic acid, PEP, Phosphoenolpyruvate, 2-Phosphonooxyprop-2-enoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:1005 CH$LINK: INCHIKEY DTBNBXWJWCWCIK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062301.txt index 56096ab1365..e9f8ca6bf6e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS062301 -RECORD_TITLE: 2-Oxobutyrate, Propionylformic acid, 3-Methylpyruvic acid, alpha-ketobutyrate, 2-Oxobutanoic acid, 2-Oxobutyric Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Oxobutyrate, Propionylformic acid, 3-Methylpyruvic acid, alpha-ketobutyrate, 2-Oxobutanoic acid, 2-Oxobutyric Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:58 CH$LINK: INCHIKEY TYEYBOSBBBHJIV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062302.txt index 24a56ccfa4f..2f65fbfb740 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS062302 -RECORD_TITLE: 2-Oxobutyrate, Propionylformic acid, 3-Methylpyruvic acid, alpha-ketobutyrate, 2-Oxobutanoic acid, 2-Oxobutyric Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Oxobutyrate, Propionylformic acid, 3-Methylpyruvic acid, alpha-ketobutyrate, 2-Oxobutanoic acid, 2-Oxobutyric Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:58 CH$LINK: INCHIKEY TYEYBOSBBBHJIV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062501.txt index 42f78d29269..0111dc0e854 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS062501 -RECORD_TITLE: 4-Oxobutanoic acid, Succinaldehydic acid, Succinic semialdehyde monomer, 4-Oxobutyric acid, Succinic Semialdehyde solution , 4-Oxobutanoate, Succinate semialdehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Oxobutanoic acid, Succinaldehydic acid, Succinic semialdehyde monomer, 4-Oxobutyric acid, Succinic Semialdehyde solution , 4-Oxobutanoate, Succinate semialdehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:1112 CH$LINK: INCHIKEY UIUJIQZEACWQSV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062506.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062506.txt index c6b26bd8095..28605a96834 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062506.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS062506 -RECORD_TITLE: 4-Oxobutanoic acid, Succinaldehydic acid, Succinic semialdehyde monomer, 4-Oxobutyric acid, Succinic Semialdehyde solution , 4-Oxobutanoate, Succinate semialdehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Oxobutanoic acid, Succinaldehydic acid, Succinic semialdehyde monomer, 4-Oxobutyric acid, Succinic Semialdehyde solution , 4-Oxobutanoate, Succinate semialdehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:1112 CH$LINK: INCHIKEY UIUJIQZEACWQSV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062701.txt index ee836909cc8..fd5e5ab6dac 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS062701 -RECORD_TITLE: DL-6,8-Epidithiooctanamide, DL-Thioctamide, 1,2-Dithiolane-3-valeramide, DL-alpha-Lipoamide, DL-6,8-Thioctic acid amide; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-6,8-Epidithiooctanamide, DL-Thioctamide, 1,2-Dithiolane-3-valeramide, DL-alpha-Lipoamide, DL-6,8-Thioctic acid amide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:863 CH$LINK: INCHIKEY FCCDDURTIIUXBY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001154; Organic compounds; Organoheterocyclic compounds; Dithiolanes; Lipoamides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062702.txt index a7be64ebf2e..cd435d540e8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS062702 -RECORD_TITLE: DL-6,8-Epidithiooctanamide, DL-Thioctamide, 1,2-Dithiolane-3-valeramide, DL-alpha-Lipoamide, DL-6,8-Thioctic acid amide; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-6,8-Epidithiooctanamide, DL-Thioctamide, 1,2-Dithiolane-3-valeramide, DL-alpha-Lipoamide, DL-6,8-Thioctic acid amide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:863 CH$LINK: INCHIKEY FCCDDURTIIUXBY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001154; Organic compounds; Organoheterocyclic compounds; Dithiolanes; Lipoamides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062801.txt index e3156ed6f4a..b6b8b9eb909 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS062801 -RECORD_TITLE: L-Homoserine, HoSer, (S)-2-Amino-4-hydroxybutyric acid, Hse, 2-Amino-4-hydroxybutanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Homoserine, HoSer, (S)-2-Amino-4-hydroxybutyric acid, Hse, 2-Amino-4-hydroxybutanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:12647 CH$LINK: INCHIKEY UKAUYVFTDYCKQA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062802.txt index d3aa66ae454..57accae749f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS062802 -RECORD_TITLE: L-Homoserine, HoSer, (S)-2-Amino-4-hydroxybutyric acid, Hse, 2-Amino-4-hydroxybutanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Homoserine, HoSer, (S)-2-Amino-4-hydroxybutyric acid, Hse, 2-Amino-4-hydroxybutanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:12647 CH$LINK: INCHIKEY UKAUYVFTDYCKQA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062803.txt index 344daef1b02..f570f278401 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS062803 -RECORD_TITLE: L-Homoserine, HoSer, (S)-2-Amino-4-hydroxybutyric acid, Hse, 2-Amino-4-hydroxybutanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Homoserine, HoSer, (S)-2-Amino-4-hydroxybutyric acid, Hse, 2-Amino-4-hydroxybutanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:12647 CH$LINK: INCHIKEY UKAUYVFTDYCKQA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062907.txt index 5070d8e3afc..e79466b8cfc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS062907 -RECORD_TITLE: Kinic acid, Quinate, hexahydro-1,3,4,5-tetrahydroxybenzoic acid, (1R,3R,4R,5R)-(-)-Quinic acid, Chinic acid, 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid, D-(-)-Quinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Kinic acid, Quinate, hexahydro-1,3,4,5-tetrahydroxybenzoic acid, (1R,3R,4R,5R)-(-)-Quinic acid, Chinic acid, 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid, D-(-)-Quinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:6508 CH$LINK: INCHIKEY AAWZDTNXLSGCEK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062908.txt index 50e222b337f..81020788b15 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS062908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS062908 -RECORD_TITLE: Kinic acid, Quinate, hexahydro-1,3,4,5-tetrahydroxybenzoic acid, (1R,3R,4R,5R)-(-)-Quinic acid, Chinic acid, 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid, D-(-)-Quinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Kinic acid, Quinate, hexahydro-1,3,4,5-tetrahydroxybenzoic acid, (1R,3R,4R,5R)-(-)-Quinic acid, Chinic acid, 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid, D-(-)-Quinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:6508 CH$LINK: INCHIKEY AAWZDTNXLSGCEK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063007.txt index e47fb63213e..625c8894132 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063007 -RECORD_TITLE: L-Dihydroorotate, L-Hydroorotic acid, (S)-4,5-Dihydroorotic Acid, 2,6-Dioxohexahydro-4-pyrimidinecarboxylic acid, Dihydro-L-orotic Acid ; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Dihydroorotate, L-Hydroorotic acid, (S)-4,5-Dihydroorotic Acid, 2,6-Dioxohexahydro-4-pyrimidinecarboxylic acid, Dihydro-L-orotic Acid ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439216 CH$LINK: INCHIKEY UFIVEPVSAGBUSI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063101.txt index 3ebdcf2988c..170d37d2503 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063101 -RECORD_TITLE: Metadiazine, Pyrimidine, Miazine, 1,3-Diazabenzene, 1,3-Diazine; LC-ESI-QQ; MS2 +RECORD_TITLE: Metadiazine, Pyrimidine, Miazine, 1,3-Diazabenzene, 1,3-Diazine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:9260 CH$LINK: INCHIKEY CZPWVGJYEJSRLH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063102.txt index 30890813376..6a6b52c42e7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063102 -RECORD_TITLE: Metadiazine, Pyrimidine, Miazine, 1,3-Diazabenzene, 1,3-Diazine; LC-ESI-QQ; MS2 +RECORD_TITLE: Metadiazine, Pyrimidine, Miazine, 1,3-Diazabenzene, 1,3-Diazine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:9260 CH$LINK: INCHIKEY CZPWVGJYEJSRLH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063201.txt index 6a304811b5a..8effb4c04f6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063201 -RECORD_TITLE: 1,4-Dioxy-benzol, 1,4-Cyclohexadienedione, Quinone, Chinone, 1,4-Dioxybenzene, p-Benzoquinone, 1,4-Benzoquinone; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,4-Dioxy-benzol, 1,4-Cyclohexadienedione, Quinone, Chinone, 1,4-Dioxybenzene, p-Benzoquinone, 1,4-Benzoquinone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:4650 CH$LINK: INCHIKEY AZQWKYJCGOJGHM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063301.txt index d7f1aec9333..ef6b2e1fd8d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063301 -RECORD_TITLE: dURD, dU, Deoxyribose uracil, (+)-2'-Deoxyuridine, 1-(2-Deoxy-beta-D-ribofuranosyl)uracil, Uracil deoxyriboside; LC-ESI-QQ; MS2 +RECORD_TITLE: dURD, dU, Deoxyribose uracil, (+)-2'-Deoxyuridine, 1-(2-Deoxy-beta-D-ribofuranosyl)uracil, Uracil deoxyriboside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:13712 CH$LINK: INCHIKEY MXHRCPNRJAMMIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063302.txt index 2ec1765b6ad..1cccb9edc05 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063302 -RECORD_TITLE: dURD, dU, Deoxyribose uracil, (+)-2'-Deoxyuridine, 1-(2-Deoxy-beta-D-ribofuranosyl)uracil, Uracil deoxyriboside; LC-ESI-QQ; MS2 +RECORD_TITLE: dURD, dU, Deoxyribose uracil, (+)-2'-Deoxyuridine, 1-(2-Deoxy-beta-D-ribofuranosyl)uracil, Uracil deoxyriboside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:13712 CH$LINK: INCHIKEY MXHRCPNRJAMMIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063303.txt index 0ac52b752e8..b1a23fb1bef 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063303 -RECORD_TITLE: dURD, dU, Deoxyribose uracil, (+)-2'-Deoxyuridine, 1-(2-Deoxy-beta-D-ribofuranosyl)uracil, Uracil deoxyriboside; LC-ESI-QQ; MS2 +RECORD_TITLE: dURD, dU, Deoxyribose uracil, (+)-2'-Deoxyuridine, 1-(2-Deoxy-beta-D-ribofuranosyl)uracil, Uracil deoxyriboside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:13712 CH$LINK: INCHIKEY MXHRCPNRJAMMIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063307.txt index ff6817f37e2..781199542e9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063307 -RECORD_TITLE: dURD, dU, Deoxyribose uracil, (+)-2'-Deoxyuridine, 1-(2-Deoxy-beta-D-ribofuranosyl)uracil, Uracil deoxyriboside; LC-ESI-QQ; MS2 +RECORD_TITLE: dURD, dU, Deoxyribose uracil, (+)-2'-Deoxyuridine, 1-(2-Deoxy-beta-D-ribofuranosyl)uracil, Uracil deoxyriboside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:13712 CH$LINK: INCHIKEY MXHRCPNRJAMMIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002180; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleosides; Pyrimidine 2'-deoxyribonucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063501.txt index 88f51bf089c..130e9325aec 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063501 -RECORD_TITLE: Tropan-3-one, Tropinone, 3-Tropanone, Tropionone, 8-Methyl-8-azabicyclo(3,2,1)octan-3-one; LC-ESI-QQ; MS2 +RECORD_TITLE: Tropan-3-one, Tropinone, 3-Tropanone, Tropionone, 8-Methyl-8-azabicyclo(3,2,1)octan-3-one; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:79038 CH$LINK: INCHIKEY QQXLDOJGLXJCSE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000492; Organic compounds; Alkaloids and derivatives; Tropane alkaloids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063502.txt index fdf2e68f5e3..ff966b1edb0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063502 -RECORD_TITLE: Tropan-3-one, Tropinone, 3-Tropanone, Tropionone, 8-Methyl-8-azabicyclo(3,2,1)octan-3-one; LC-ESI-QQ; MS2 +RECORD_TITLE: Tropan-3-one, Tropinone, 3-Tropanone, Tropionone, 8-Methyl-8-azabicyclo(3,2,1)octan-3-one; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:79038 CH$LINK: INCHIKEY QQXLDOJGLXJCSE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000492; Organic compounds; Alkaloids and derivatives; Tropane alkaloids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063503.txt index fb0ad8db33a..6f1779ed0f6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063503 -RECORD_TITLE: Tropan-3-one, Tropinone, 3-Tropanone, Tropionone, 8-Methyl-8-azabicyclo(3,2,1)octan-3-one; LC-ESI-QQ; MS2 +RECORD_TITLE: Tropan-3-one, Tropinone, 3-Tropanone, Tropionone, 8-Methyl-8-azabicyclo(3,2,1)octan-3-one; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:79038 CH$LINK: INCHIKEY QQXLDOJGLXJCSE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000492; Organic compounds; Alkaloids and derivatives; Tropane alkaloids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063504.txt index 76a9f79e2ad..a22ddf35ec8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063504 -RECORD_TITLE: Tropan-3-one, Tropinone, 3-Tropanone, Tropionone, 8-Methyl-8-azabicyclo(3,2,1)octan-3-one; LC-ESI-QQ; MS2 +RECORD_TITLE: Tropan-3-one, Tropinone, 3-Tropanone, Tropionone, 8-Methyl-8-azabicyclo(3,2,1)octan-3-one; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:79038 CH$LINK: INCHIKEY QQXLDOJGLXJCSE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000492; Organic compounds; Alkaloids and derivatives; Tropane alkaloids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063505.txt index e4c169e9932..653636f9480 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063505 -RECORD_TITLE: Tropan-3-one, Tropinone, 3-Tropanone, Tropionone, 8-Methyl-8-azabicyclo(3,2,1)octan-3-one; LC-ESI-QQ; MS2 +RECORD_TITLE: Tropan-3-one, Tropinone, 3-Tropanone, Tropionone, 8-Methyl-8-azabicyclo(3,2,1)octan-3-one; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:79038 CH$LINK: INCHIKEY QQXLDOJGLXJCSE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000492; Organic compounds; Alkaloids and derivatives; Tropane alkaloids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063506.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063506.txt index be18fafcf9d..6b59fe2802c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063506.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063506 -RECORD_TITLE: Tropan-3-one, Tropinone, 3-Tropanone, Tropionone, 8-Methyl-8-azabicyclo(3,2,1)octan-3-one; LC-ESI-QQ; MS2 +RECORD_TITLE: Tropan-3-one, Tropinone, 3-Tropanone, Tropionone, 8-Methyl-8-azabicyclo(3,2,1)octan-3-one; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:79038 CH$LINK: INCHIKEY QQXLDOJGLXJCSE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000492; Organic compounds; Alkaloids and derivatives; Tropane alkaloids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063601.txt index a345a69c452..bb8f76786a5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063601 -RECORD_TITLE: Chlorogenate, Caffetannic Acid, Chlorogenic acid Hemihydrate, Helianthic Acid, Caffeylquinic Acid, trans-5-O-Caffeoyl-D-quinate, Heriguard; LC-ESI-QQ; MS2 +RECORD_TITLE: Chlorogenate, Caffetannic Acid, Chlorogenic acid Hemihydrate, Helianthic Acid, Caffeylquinic Acid, trans-5-O-Caffeoyl-D-quinate, Heriguard; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:1794427 CH$LINK: INCHIKEY CWVRJTMFETXNAD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063602.txt index 56d28e540fc..2b655bfff62 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063602 -RECORD_TITLE: Chlorogenate, Caffetannic Acid, Chlorogenic acid Hemihydrate, Helianthic Acid, Caffeylquinic Acid, trans-5-O-Caffeoyl-D-quinate, Heriguard; LC-ESI-QQ; MS2 +RECORD_TITLE: Chlorogenate, Caffetannic Acid, Chlorogenic acid Hemihydrate, Helianthic Acid, Caffeylquinic Acid, trans-5-O-Caffeoyl-D-quinate, Heriguard; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:1794427 CH$LINK: INCHIKEY CWVRJTMFETXNAD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063603.txt index d6c6f48eeb2..b5dd9042000 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063603 -RECORD_TITLE: Chlorogenate, Caffetannic Acid, Chlorogenic acid Hemihydrate, Helianthic Acid, Caffeylquinic Acid, trans-5-O-Caffeoyl-D-quinate, Heriguard; LC-ESI-QQ; MS2 +RECORD_TITLE: Chlorogenate, Caffetannic Acid, Chlorogenic acid Hemihydrate, Helianthic Acid, Caffeylquinic Acid, trans-5-O-Caffeoyl-D-quinate, Heriguard; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:1794427 CH$LINK: INCHIKEY CWVRJTMFETXNAD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063604.txt index 6ee30669788..57cfb357e2e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063604 -RECORD_TITLE: Chlorogenate, Caffetannic Acid, Chlorogenic acid Hemihydrate, Helianthic Acid, Caffeylquinic Acid, trans-5-O-Caffeoyl-D-quinate, Heriguard; LC-ESI-QQ; MS2 +RECORD_TITLE: Chlorogenate, Caffetannic Acid, Chlorogenic acid Hemihydrate, Helianthic Acid, Caffeylquinic Acid, trans-5-O-Caffeoyl-D-quinate, Heriguard; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:1794427 CH$LINK: INCHIKEY CWVRJTMFETXNAD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063605.txt index 63bb73716ad..6d20594c60d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063605 -RECORD_TITLE: Chlorogenate, Caffetannic Acid, Chlorogenic acid Hemihydrate, Helianthic Acid, Caffeylquinic Acid, trans-5-O-Caffeoyl-D-quinate, Heriguard; LC-ESI-QQ; MS2 +RECORD_TITLE: Chlorogenate, Caffetannic Acid, Chlorogenic acid Hemihydrate, Helianthic Acid, Caffeylquinic Acid, trans-5-O-Caffeoyl-D-quinate, Heriguard; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:1794427 CH$LINK: INCHIKEY CWVRJTMFETXNAD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063607.txt index 526cccdb9b8..4452b6cde4b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063607 -RECORD_TITLE: Chlorogenate, Caffetannic Acid, Chlorogenic acid Hemihydrate, Helianthic Acid, Caffeylquinic Acid, trans-5-O-Caffeoyl-D-quinate, Heriguard; LC-ESI-QQ; MS2 +RECORD_TITLE: Chlorogenate, Caffetannic Acid, Chlorogenic acid Hemihydrate, Helianthic Acid, Caffeylquinic Acid, trans-5-O-Caffeoyl-D-quinate, Heriguard; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:1794427 CH$LINK: INCHIKEY CWVRJTMFETXNAD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063608.txt index aa7d3b8bc4e..5d7f3130660 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063608 -RECORD_TITLE: Chlorogenate, Caffetannic Acid, Chlorogenic acid Hemihydrate, Helianthic Acid, Caffeylquinic Acid, trans-5-O-Caffeoyl-D-quinate, Heriguard; LC-ESI-QQ; MS2 +RECORD_TITLE: Chlorogenate, Caffetannic Acid, Chlorogenic acid Hemihydrate, Helianthic Acid, Caffeylquinic Acid, trans-5-O-Caffeoyl-D-quinate, Heriguard; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:1794427 CH$LINK: INCHIKEY CWVRJTMFETXNAD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063609.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063609.txt index e1cc08d8c45..e6a6ef911a8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063609.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063609.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063609 -RECORD_TITLE: Chlorogenate, Caffetannic Acid, Chlorogenic acid Hemihydrate, Helianthic Acid, Caffeylquinic Acid, trans-5-O-Caffeoyl-D-quinate, Heriguard; LC-ESI-QQ; MS2 +RECORD_TITLE: Chlorogenate, Caffetannic Acid, Chlorogenic acid Hemihydrate, Helianthic Acid, Caffeylquinic Acid, trans-5-O-Caffeoyl-D-quinate, Heriguard; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:1794427 CH$LINK: INCHIKEY CWVRJTMFETXNAD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063610.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063610.txt index 8a0d22a2b0a..f70e06b24ab 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063610.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063610.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063610 -RECORD_TITLE: Chlorogenate, Caffetannic Acid, Chlorogenic acid Hemihydrate, Helianthic Acid, Caffeylquinic Acid, trans-5-O-Caffeoyl-D-quinate, Heriguard; LC-ESI-QQ; MS2 +RECORD_TITLE: Chlorogenate, Caffetannic Acid, Chlorogenic acid Hemihydrate, Helianthic Acid, Caffeylquinic Acid, trans-5-O-Caffeoyl-D-quinate, Heriguard; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:1794427 CH$LINK: INCHIKEY CWVRJTMFETXNAD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063611.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063611.txt index 80bed92c4d2..63a5fa32729 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063611.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063611.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063611 -RECORD_TITLE: Chlorogenate, Caffetannic Acid, Chlorogenic acid Hemihydrate, Helianthic Acid, Caffeylquinic Acid, trans-5-O-Caffeoyl-D-quinate, Heriguard; LC-ESI-QQ; MS2 +RECORD_TITLE: Chlorogenate, Caffetannic Acid, Chlorogenic acid Hemihydrate, Helianthic Acid, Caffeylquinic Acid, trans-5-O-Caffeoyl-D-quinate, Heriguard; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:1794427 CH$LINK: INCHIKEY CWVRJTMFETXNAD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000129; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Alcohols and polyols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063701.txt index 9e53f28f6cc..5df19e72590 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063701 -RECORD_TITLE: D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5, Sodium pantothenate; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5, Sodium pantothenate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6613 CH$LINK: INCHIKEY GHOKWGTUZJEAQD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063702.txt index a9b7036948f..61d3edfceb7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063702 -RECORD_TITLE: D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5, Sodium pantothenate; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5, Sodium pantothenate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6613 CH$LINK: INCHIKEY GHOKWGTUZJEAQD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063703.txt index 0eb058b55cc..56c9490fac7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063703 -RECORD_TITLE: D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5, Sodium pantothenate; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5, Sodium pantothenate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6613 CH$LINK: INCHIKEY GHOKWGTUZJEAQD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063707.txt index 5fd66d72598..f057ac57e37 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063707 -RECORD_TITLE: D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5, Sodium pantothenate; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5, Sodium pantothenate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6613 CH$LINK: INCHIKEY GHOKWGTUZJEAQD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063708.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063708.txt index 98648e6bda0..056f4407959 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063708.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063708 -RECORD_TITLE: D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5, Sodium pantothenate; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5, Sodium pantothenate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6613 CH$LINK: INCHIKEY GHOKWGTUZJEAQD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063801.txt index 25dc55cb0a3..2ce6207fc14 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063801 -RECORD_TITLE: L-Aad, L-Homoglutamic acid, L-2-Aminoadipic Acid , L-2-Aminohexanedioate, L-alpha-Aminoadipic Acid, L-Ho-Glu, (S)-2-Aminohexanedioic acid, L-2-Aminoadipate; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Aad, L-Homoglutamic acid, L-2-Aminoadipic Acid , L-2-Aminohexanedioate, L-alpha-Aminoadipic Acid, L-Ho-Glu, (S)-2-Aminohexanedioic acid, L-2-Aminoadipate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:92136 CH$LINK: INCHIKEY OYIFNHCXNCRBQI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063802.txt index 5f91aa5a130..69eb3433c07 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063802 -RECORD_TITLE: L-Aad, L-Homoglutamic acid, L-2-Aminoadipic Acid , L-2-Aminohexanedioate, L-alpha-Aminoadipic Acid, L-Ho-Glu, (S)-2-Aminohexanedioic acid, L-2-Aminoadipate; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Aad, L-Homoglutamic acid, L-2-Aminoadipic Acid , L-2-Aminohexanedioate, L-alpha-Aminoadipic Acid, L-Ho-Glu, (S)-2-Aminohexanedioic acid, L-2-Aminoadipate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:92136 CH$LINK: INCHIKEY OYIFNHCXNCRBQI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063901.txt index f23f26dfa3b..3a10afade6c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063901 -RECORD_TITLE: 6-Hydroxynicotinate, ,6-Dihydro-6-oxo-3-pyridinecarboxylic acid, 2-Hydroxy-5-pyridinecarboxylic acid, 6-Hydroxypyridine-3-carboxylic acid, 6-Hydroxynicotinic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-Hydroxynicotinate, ,6-Dihydro-6-oxo-3-pyridinecarboxylic acid, 2-Hydroxy-5-pyridinecarboxylic acid, 6-Hydroxypyridine-3-carboxylic acid, 6-Hydroxynicotinic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:72924 CH$LINK: INCHIKEY BLHCMGRVFXRYRN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063902.txt index 063cb8cf63e..2fe3b083551 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063902 -RECORD_TITLE: 6-Hydroxynicotinate, ,6-Dihydro-6-oxo-3-pyridinecarboxylic acid, 2-Hydroxy-5-pyridinecarboxylic acid, 6-Hydroxypyridine-3-carboxylic acid, 6-Hydroxynicotinic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-Hydroxynicotinate, ,6-Dihydro-6-oxo-3-pyridinecarboxylic acid, 2-Hydroxy-5-pyridinecarboxylic acid, 6-Hydroxypyridine-3-carboxylic acid, 6-Hydroxynicotinic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:72924 CH$LINK: INCHIKEY BLHCMGRVFXRYRN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063903.txt index b59ae67a276..2995685b91a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063903 -RECORD_TITLE: 6-Hydroxynicotinate, ,6-Dihydro-6-oxo-3-pyridinecarboxylic acid, 2-Hydroxy-5-pyridinecarboxylic acid, 6-Hydroxypyridine-3-carboxylic acid, 6-Hydroxynicotinic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-Hydroxynicotinate, ,6-Dihydro-6-oxo-3-pyridinecarboxylic acid, 2-Hydroxy-5-pyridinecarboxylic acid, 6-Hydroxypyridine-3-carboxylic acid, 6-Hydroxynicotinic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:72924 CH$LINK: INCHIKEY BLHCMGRVFXRYRN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063907.txt index d8a8586350f..b661f085b0e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS063907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS063907 -RECORD_TITLE: 6-Hydroxynicotinate, ,6-Dihydro-6-oxo-3-pyridinecarboxylic acid, 2-Hydroxy-5-pyridinecarboxylic acid, 6-Hydroxypyridine-3-carboxylic acid, 6-Hydroxynicotinic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-Hydroxynicotinate, ,6-Dihydro-6-oxo-3-pyridinecarboxylic acid, 2-Hydroxy-5-pyridinecarboxylic acid, 6-Hydroxypyridine-3-carboxylic acid, 6-Hydroxynicotinic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:72924 CH$LINK: INCHIKEY BLHCMGRVFXRYRN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064001.txt index 17bd66c2654..6663893677e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS064001 -RECORD_TITLE: O-Succinylhomoserine, O-Succinyl-L-homoserine, (2S)-2-amino-4-(3-carboxypropanoyloxy)butanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: O-Succinylhomoserine, O-Succinyl-L-homoserine, (2S)-2-amino-4-(3-carboxypropanoyloxy)butanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439406 CH$LINK: INCHIKEY GNISQJGXJIDKDJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064002.txt index 66f80599c15..478a6eeced0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS064002 -RECORD_TITLE: O-Succinylhomoserine, O-Succinyl-L-homoserine, (2S)-2-amino-4-(3-carboxypropanoyloxy)butanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: O-Succinylhomoserine, O-Succinyl-L-homoserine, (2S)-2-amino-4-(3-carboxypropanoyloxy)butanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439406 CH$LINK: INCHIKEY GNISQJGXJIDKDJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064003.txt index 071cd1c65f3..3d2192e1cc5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS064003 -RECORD_TITLE: O-Succinylhomoserine, O-Succinyl-L-homoserine, (2S)-2-amino-4-(3-carboxypropanoyloxy)butanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: O-Succinylhomoserine, O-Succinyl-L-homoserine, (2S)-2-amino-4-(3-carboxypropanoyloxy)butanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439406 CH$LINK: INCHIKEY GNISQJGXJIDKDJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064004.txt index 5c5dfb38f95..b4ef7522caf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS064004 -RECORD_TITLE: O-Succinylhomoserine, O-Succinyl-L-homoserine, (2S)-2-amino-4-(3-carboxypropanoyloxy)butanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: O-Succinylhomoserine, O-Succinyl-L-homoserine, (2S)-2-amino-4-(3-carboxypropanoyloxy)butanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439406 CH$LINK: INCHIKEY GNISQJGXJIDKDJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064101.txt index c27b806c000..2dc98adcffe 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS064101 -RECORD_TITLE: Phytol,mixture of isomers, 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; LC-ESI-QQ; MS2 +RECORD_TITLE: Phytol,mixture of isomers, 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5280435 CH$LINK: INCHIKEY BOTWFXYSPFMFNR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064102.txt index bd0b3da4c9b..bdbd9d5ce59 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS064102 -RECORD_TITLE: Phytol,mixture of isomers, 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; LC-ESI-QQ; MS2 +RECORD_TITLE: Phytol,mixture of isomers, 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5280435 CH$LINK: INCHIKEY BOTWFXYSPFMFNR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064103.txt index 96cdb0b6632..ffe692367cc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS064103 -RECORD_TITLE: Phytol,mixture of isomers, 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; LC-ESI-QQ; MS2 +RECORD_TITLE: Phytol,mixture of isomers, 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5280435 CH$LINK: INCHIKEY BOTWFXYSPFMFNR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064104.txt index 0c8d45e42b9..afff316a346 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS064104 -RECORD_TITLE: Phytol,mixture of isomers, 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; LC-ESI-QQ; MS2 +RECORD_TITLE: Phytol,mixture of isomers, 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5280435 CH$LINK: INCHIKEY BOTWFXYSPFMFNR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064105.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064105.txt index aac4539508e..0b4ba4c675a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064105.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS064105 -RECORD_TITLE: Phytol,mixture of isomers, 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; LC-ESI-QQ; MS2 +RECORD_TITLE: Phytol,mixture of isomers, 3,7,11,15-Tetramethyl-2-hexadecen-1-ol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5280435 CH$LINK: INCHIKEY BOTWFXYSPFMFNR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064407.txt index 3d4450b075b..390993c28a7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS064407 -RECORD_TITLE: Kri-Gibb, Ceku-Gib, Gibberellic acid, Gibberelin A3, GA3, gibberamine, Gibrescol, Berelex; LC-ESI-QQ; MS2 +RECORD_TITLE: Kri-Gibb, Ceku-Gib, Gibberellic acid, Gibberelin A3, GA3, gibberamine, Gibrescol, Berelex; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:439551 CH$LINK: INCHIKEY IXORZMNAPKEEDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064408.txt index 2865d38d637..a2a40bb6f5f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS064408 -RECORD_TITLE: Kri-Gibb, Ceku-Gib, Gibberellic acid, Gibberelin A3, GA3, gibberamine, Gibrescol, Berelex; LC-ESI-QQ; MS2 +RECORD_TITLE: Kri-Gibb, Ceku-Gib, Gibberellic acid, Gibberelin A3, GA3, gibberamine, Gibrescol, Berelex; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:439551 CH$LINK: INCHIKEY IXORZMNAPKEEDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064409.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064409.txt index 79f7205144f..4cafdfd074f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064409.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS064409 -RECORD_TITLE: Kri-Gibb, Ceku-Gib, Gibberellic acid, Gibberelin A3, GA3, gibberamine, Gibrescol, Berelex; LC-ESI-QQ; MS2 +RECORD_TITLE: Kri-Gibb, Ceku-Gib, Gibberellic acid, Gibberelin A3, GA3, gibberamine, Gibrescol, Berelex; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:439551 CH$LINK: INCHIKEY IXORZMNAPKEEDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064410.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064410.txt index a6c970f24d4..788251c10b0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064410.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064410.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS064410 -RECORD_TITLE: Kri-Gibb, Ceku-Gib, Gibberellic acid, Gibberelin A3, GA3, gibberamine, Gibrescol, Berelex; LC-ESI-QQ; MS2 +RECORD_TITLE: Kri-Gibb, Ceku-Gib, Gibberellic acid, Gibberelin A3, GA3, gibberamine, Gibrescol, Berelex; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:439551 CH$LINK: INCHIKEY IXORZMNAPKEEDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064411.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064411.txt index adf7af93755..60b7b1e43e3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064411.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064411.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS064411 -RECORD_TITLE: Kri-Gibb, Ceku-Gib, Gibberellic acid, Gibberelin A3, GA3, gibberamine, Gibrescol, Berelex; LC-ESI-QQ; MS2 +RECORD_TITLE: Kri-Gibb, Ceku-Gib, Gibberellic acid, Gibberelin A3, GA3, gibberamine, Gibrescol, Berelex; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:439551 CH$LINK: INCHIKEY IXORZMNAPKEEDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064412.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064412.txt index 191722c4621..f52bf8d9a30 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064412.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064412.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS064412 -RECORD_TITLE: Kri-Gibb, Ceku-Gib, Gibberellic acid, Gibberelin A3, GA3, gibberamine, Gibrescol, Berelex; LC-ESI-QQ; MS2 +RECORD_TITLE: Kri-Gibb, Ceku-Gib, Gibberellic acid, Gibberelin A3, GA3, gibberamine, Gibrescol, Berelex; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:439551 CH$LINK: INCHIKEY IXORZMNAPKEEDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064601.txt index f31546bc914..d968a750109 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS064601 -RECORD_TITLE: cis,cis-Muconate, cis,cis-Muconic acid, cis,cis-Hexadienedioate, cis,cis-2,4-Hexadienedioic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: cis,cis-Muconate, cis,cis-Muconic acid, cis,cis-Hexadienedioate, cis,cis-2,4-Hexadienedioic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5280518 CH$LINK: INCHIKEY TXXHDPDFNKHHGW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064602.txt index bf44218f036..70c3dd30b3d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS064602 -RECORD_TITLE: cis,cis-Muconate, cis,cis-Muconic acid, cis,cis-Hexadienedioate, cis,cis-2,4-Hexadienedioic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: cis,cis-Muconate, cis,cis-Muconic acid, cis,cis-Hexadienedioate, cis,cis-2,4-Hexadienedioic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5280518 CH$LINK: INCHIKEY TXXHDPDFNKHHGW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064603.txt index bf09d37250b..50d2ddfc574 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS064603 -RECORD_TITLE: cis,cis-Muconate, cis,cis-Muconic acid, cis,cis-Hexadienedioate, cis,cis-2,4-Hexadienedioic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: cis,cis-Muconate, cis,cis-Muconic acid, cis,cis-Hexadienedioate, cis,cis-2,4-Hexadienedioic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5280518 CH$LINK: INCHIKEY TXXHDPDFNKHHGW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064607.txt index ee1f0fa0928..e6fe052985d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS064607 -RECORD_TITLE: cis,cis-Muconate, cis,cis-Muconic acid, cis,cis-Hexadienedioate, cis,cis-2,4-Hexadienedioic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: cis,cis-Muconate, cis,cis-Muconic acid, cis,cis-Hexadienedioate, cis,cis-2,4-Hexadienedioic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5280518 CH$LINK: INCHIKEY TXXHDPDFNKHHGW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064707.txt index 567fb66a6ff..f96b8de51d1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS064707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS064707 -RECORD_TITLE: Pimelate, Heptanedioic acid, Dicarboxylic Acid C7, 1,5-Pentanedicarboxylic acid, Pimelic acid, Dimelic acid, Pileric acid, 6-Carboxyhexanoate, Heptane Diacid; LC-ESI-QQ; MS2 +RECORD_TITLE: Pimelate, Heptanedioic acid, Dicarboxylic Acid C7, 1,5-Pentanedicarboxylic acid, Pimelic acid, Dimelic acid, Pileric acid, 6-Carboxyhexanoate, Heptane Diacid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:385 CH$LINK: INCHIKEY WLJVNTCWHIRURA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065001.txt index cf9d16f8cc8..035a0859ab4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065001 -RECORD_TITLE: Dimethylphenylamine, Dimethylaminobenzene, N,N-Dimethylbenzenamine, N,N-Dimethylphenylamine, N,N-Dimethylaniline; LC-ESI-QQ; MS2 +RECORD_TITLE: Dimethylphenylamine, Dimethylaminobenzene, N,N-Dimethylbenzenamine, N,N-Dimethylphenylamine, N,N-Dimethylaniline; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:949 CH$LINK: INCHIKEY JLTDJTHDQAWBAV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065002.txt index fbf8b019dfb..9df094a658e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065002 -RECORD_TITLE: Dimethylphenylamine, Dimethylaminobenzene, N,N-Dimethylbenzenamine, N,N-Dimethylphenylamine, N,N-Dimethylaniline; LC-ESI-QQ; MS2 +RECORD_TITLE: Dimethylphenylamine, Dimethylaminobenzene, N,N-Dimethylbenzenamine, N,N-Dimethylphenylamine, N,N-Dimethylaniline; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:949 CH$LINK: INCHIKEY JLTDJTHDQAWBAV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065003.txt index 9b6d047ff58..88ad1f0f93e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065003 -RECORD_TITLE: Dimethylphenylamine, Dimethylaminobenzene, N,N-Dimethylbenzenamine, N,N-Dimethylphenylamine, N,N-Dimethylaniline; LC-ESI-QQ; MS2 +RECORD_TITLE: Dimethylphenylamine, Dimethylaminobenzene, N,N-Dimethylbenzenamine, N,N-Dimethylphenylamine, N,N-Dimethylaniline; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:949 CH$LINK: INCHIKEY JLTDJTHDQAWBAV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065201.txt index 0e3f60ee68d..4f564061aeb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065201 -RECORD_TITLE: Sulfurol, 4-Methyl-5-hydroxyethylthiazole, MHT, Hemineurine, 4-Methyl-5-thiazoleethanol; LC-ESI-QQ; MS2 +RECORD_TITLE: Sulfurol, 4-Methyl-5-hydroxyethylthiazole, MHT, Hemineurine, 4-Methyl-5-thiazoleethanol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:1136 CH$LINK: INCHIKEY BKAWJIRCKVUVED-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000095; Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065202.txt index aa6e2a077d7..cbea3ece85f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065202 -RECORD_TITLE: Sulfurol, 4-Methyl-5-hydroxyethylthiazole, MHT, Hemineurine, 4-Methyl-5-thiazoleethanol; LC-ESI-QQ; MS2 +RECORD_TITLE: Sulfurol, 4-Methyl-5-hydroxyethylthiazole, MHT, Hemineurine, 4-Methyl-5-thiazoleethanol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:1136 CH$LINK: INCHIKEY BKAWJIRCKVUVED-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000095; Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065203.txt index 017cb9d7ac0..b24693fa13b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065203 -RECORD_TITLE: Sulfurol, 4-Methyl-5-hydroxyethylthiazole, MHT, Hemineurine, 4-Methyl-5-thiazoleethanol; LC-ESI-QQ; MS2 +RECORD_TITLE: Sulfurol, 4-Methyl-5-hydroxyethylthiazole, MHT, Hemineurine, 4-Methyl-5-thiazoleethanol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:1136 CH$LINK: INCHIKEY BKAWJIRCKVUVED-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000095; Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065204.txt index 6a22618cb3c..4fe92cb764d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065204 -RECORD_TITLE: Sulfurol, 4-Methyl-5-hydroxyethylthiazole, MHT, Hemineurine, 4-Methyl-5-thiazoleethanol; LC-ESI-QQ; MS2 +RECORD_TITLE: Sulfurol, 4-Methyl-5-hydroxyethylthiazole, MHT, Hemineurine, 4-Methyl-5-thiazoleethanol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:1136 CH$LINK: INCHIKEY BKAWJIRCKVUVED-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000095; Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065205.txt index 1e6469106a8..2004aeb09f7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065205 -RECORD_TITLE: Sulfurol, 4-Methyl-5-hydroxyethylthiazole, MHT, Hemineurine, 4-Methyl-5-thiazoleethanol; LC-ESI-QQ; MS2 +RECORD_TITLE: Sulfurol, 4-Methyl-5-hydroxyethylthiazole, MHT, Hemineurine, 4-Methyl-5-thiazoleethanol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:1136 CH$LINK: INCHIKEY BKAWJIRCKVUVED-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000095; Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065206.txt index d3f4d8ab22b..90f6ba1d33e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065206 -RECORD_TITLE: Sulfurol, 4-Methyl-5-hydroxyethylthiazole, MHT, Hemineurine, 4-Methyl-5-thiazoleethanol; LC-ESI-QQ; MS2 +RECORD_TITLE: Sulfurol, 4-Methyl-5-hydroxyethylthiazole, MHT, Hemineurine, 4-Methyl-5-thiazoleethanol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:1136 CH$LINK: INCHIKEY BKAWJIRCKVUVED-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000095; Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065301.txt index f787e7d1645..5c8ecce3550 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065301 -RECORD_TITLE: Canthaxanthine, 4,4'-dioxo-beta-carotene, 4,4'-Diketo-.beta.-carotine, Canthaxanthin, beta,beta'-Carotin-4,4'-dione, Roxanthin, Carophyll Red, Orobronze; LC-ESI-QQ; MS2 +RECORD_TITLE: Canthaxanthine, 4,4'-dioxo-beta-carotene, 4,4'-Diketo-.beta.-carotine, Canthaxanthin, beta,beta'-Carotin-4,4'-dione, Roxanthin, Carophyll Red, Orobronze; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5281227 CH$LINK: INCHIKEY FDSDTBUPSURDBL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001554; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Tetraterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065302.txt index 1c9d4f69c6a..49b8e5271fb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065302 -RECORD_TITLE: Canthaxanthine, 4,4'-dioxo-beta-carotene, 4,4'-Diketo-.beta.-carotine, Canthaxanthin, beta,beta'-Carotin-4,4'-dione, Roxanthin, Carophyll Red, Orobronze; LC-ESI-QQ; MS2 +RECORD_TITLE: Canthaxanthine, 4,4'-dioxo-beta-carotene, 4,4'-Diketo-.beta.-carotine, Canthaxanthin, beta,beta'-Carotin-4,4'-dione, Roxanthin, Carophyll Red, Orobronze; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5281227 CH$LINK: INCHIKEY FDSDTBUPSURDBL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001554; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Tetraterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065303.txt index e8c4094f7a6..ba051a86864 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065303 -RECORD_TITLE: Canthaxanthine, 4,4'-dioxo-beta-carotene, 4,4'-Diketo-.beta.-carotine, Canthaxanthin, beta,beta'-Carotin-4,4'-dione, Roxanthin, Carophyll Red, Orobronze; LC-ESI-QQ; MS2 +RECORD_TITLE: Canthaxanthine, 4,4'-dioxo-beta-carotene, 4,4'-Diketo-.beta.-carotine, Canthaxanthin, beta,beta'-Carotin-4,4'-dione, Roxanthin, Carophyll Red, Orobronze; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5281227 CH$LINK: INCHIKEY FDSDTBUPSURDBL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001554; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Tetraterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065304.txt index 9c42f169348..6e9aaa77ff7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065304 -RECORD_TITLE: Canthaxanthine, 4,4'-dioxo-beta-carotene, 4,4'-Diketo-.beta.-carotine, Canthaxanthin, beta,beta'-Carotin-4,4'-dione, Roxanthin, Carophyll Red, Orobronze; LC-ESI-QQ; MS2 +RECORD_TITLE: Canthaxanthine, 4,4'-dioxo-beta-carotene, 4,4'-Diketo-.beta.-carotine, Canthaxanthin, beta,beta'-Carotin-4,4'-dione, Roxanthin, Carophyll Red, Orobronze; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5281227 CH$LINK: INCHIKEY FDSDTBUPSURDBL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001554; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Tetraterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065305.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065305.txt index 393decd0913..2d6ce53218b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065305.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065305 -RECORD_TITLE: Canthaxanthine, 4,4'-dioxo-beta-carotene, 4,4'-Diketo-.beta.-carotine, Canthaxanthin, beta,beta'-Carotin-4,4'-dione, Roxanthin, Carophyll Red, Orobronze; LC-ESI-QQ; MS2 +RECORD_TITLE: Canthaxanthine, 4,4'-dioxo-beta-carotene, 4,4'-Diketo-.beta.-carotine, Canthaxanthin, beta,beta'-Carotin-4,4'-dione, Roxanthin, Carophyll Red, Orobronze; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5281227 CH$LINK: INCHIKEY FDSDTBUPSURDBL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001554; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Tetraterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065407.txt index cf17eac46ce..0e932554de6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065407 -RECORD_TITLE: (S)-2-Hydroxy-2-methylsuccinic acid, L-(+)-2-Methylmalic acid, (S)-(+)-Citramailc acid, L-Citramalate, S-alpha-Hydroxypyrotartaric acid, 2-Hydroxy-2-methylbutanedioic acid, 2-Methylmalic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-2-Hydroxy-2-methylsuccinic acid, L-(+)-2-Methylmalic acid, (S)-(+)-Citramailc acid, L-Citramalate, S-alpha-Hydroxypyrotartaric acid, 2-Hydroxy-2-methylbutanedioic acid, 2-Methylmalic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:441696 CH$LINK: INCHIKEY XFTRTWQBIOMVPK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065507.txt index 45b4d016de2..139ff3e4367 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065507 -RECORD_TITLE: Gallic acid 3,5-dimethyl ether, Syringate, 3,5-Dimethoxy-4-hydroxybenzoic acid, Syringic Acid, 4-Hydroxy-3,5-dimethoxy-benzoic acid, Cedar acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Gallic acid 3,5-dimethyl ether, Syringate, 3,5-Dimethoxy-4-hydroxybenzoic acid, Syringic Acid, 4-Hydroxy-3,5-dimethoxy-benzoic acid, Cedar acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:10742 CH$LINK: INCHIKEY JMSVCTWVEWCHDZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065601.txt index 7bc570dd892..6c1b4c8a31e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065601 -RECORD_TITLE: Argamine, 2-Amino-5-guanidinovaleric Acid, L(+)-Arginine, Levargin, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Argamine, 2-Amino-5-guanidinovaleric Acid, L(+)-Arginine, Levargin, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:6322 CH$LINK: INCHIKEY ODKSFYDXXFIFQN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065602.txt index dd32c2a54f3..069de3a57ee 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065602 -RECORD_TITLE: Argamine, 2-Amino-5-guanidinovaleric Acid, L(+)-Arginine, Levargin, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Argamine, 2-Amino-5-guanidinovaleric Acid, L(+)-Arginine, Levargin, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:6322 CH$LINK: INCHIKEY ODKSFYDXXFIFQN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065603.txt index 1dc28b19710..3d543422e75 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065603 -RECORD_TITLE: Argamine, 2-Amino-5-guanidinovaleric Acid, L(+)-Arginine, Levargin, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Argamine, 2-Amino-5-guanidinovaleric Acid, L(+)-Arginine, Levargin, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:6322 CH$LINK: INCHIKEY ODKSFYDXXFIFQN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065604.txt index d98a43547e3..68feee91f8b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065604 -RECORD_TITLE: Argamine, 2-Amino-5-guanidinovaleric Acid, L(+)-Arginine, Levargin, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Argamine, 2-Amino-5-guanidinovaleric Acid, L(+)-Arginine, Levargin, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:6322 CH$LINK: INCHIKEY ODKSFYDXXFIFQN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065605.txt index 3f1fd398769..db06a0824b5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065605 -RECORD_TITLE: Argamine, 2-Amino-5-guanidinovaleric Acid, L(+)-Arginine, Levargin, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Argamine, 2-Amino-5-guanidinovaleric Acid, L(+)-Arginine, Levargin, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:6322 CH$LINK: INCHIKEY ODKSFYDXXFIFQN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065606.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065606.txt index a8f42ad1d94..03b32893c52 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065606.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065606.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065606 -RECORD_TITLE: Argamine, 2-Amino-5-guanidinovaleric Acid, L(+)-Arginine, Levargin, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Argamine, 2-Amino-5-guanidinovaleric Acid, L(+)-Arginine, Levargin, Argivene, Detoxargin, Arg, (S)-2-Amino-5-guanidinopentanoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:6322 CH$LINK: INCHIKEY ODKSFYDXXFIFQN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065701.txt index c202ad6e155..9fb53a316fa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065701 -RECORD_TITLE: Achilleaic acid, cis-Aconitic Acid, cis-Propene-1,2,3-tricarboxylic acid, cis-1,2,3-Propenetricarboxylic Acid, cis-aconitate, cis-Oxaloacetic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Achilleaic acid, cis-Aconitic Acid, cis-Propene-1,2,3-tricarboxylic acid, cis-1,2,3-Propenetricarboxylic Acid, cis-aconitate, cis-Oxaloacetic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:643757 CH$LINK: INCHIKEY GTZCVFVGUGFEME-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065703.txt index de1721a0b81..5d8b16122a2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065703 -RECORD_TITLE: Achilleaic acid, cis-Aconitic Acid, cis-Propene-1,2,3-tricarboxylic acid, cis-1,2,3-Propenetricarboxylic Acid, cis-aconitate, cis-Oxaloacetic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Achilleaic acid, cis-Aconitic Acid, cis-Propene-1,2,3-tricarboxylic acid, cis-1,2,3-Propenetricarboxylic Acid, cis-aconitate, cis-Oxaloacetic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:643757 CH$LINK: INCHIKEY GTZCVFVGUGFEME-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065704.txt index e5cfab34022..6160048a20e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065704 -RECORD_TITLE: Achilleaic acid, cis-Aconitic Acid, cis-Propene-1,2,3-tricarboxylic acid, cis-1,2,3-Propenetricarboxylic Acid, cis-aconitate, cis-Oxaloacetic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Achilleaic acid, cis-Aconitic Acid, cis-Propene-1,2,3-tricarboxylic acid, cis-1,2,3-Propenetricarboxylic Acid, cis-aconitate, cis-Oxaloacetic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:643757 CH$LINK: INCHIKEY GTZCVFVGUGFEME-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065705.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065705.txt index 6e4f01a389a..38d77b98a77 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065705.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065705 -RECORD_TITLE: Achilleaic acid, cis-Aconitic Acid, cis-Propene-1,2,3-tricarboxylic acid, cis-1,2,3-Propenetricarboxylic Acid, cis-aconitate, cis-Oxaloacetic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Achilleaic acid, cis-Aconitic Acid, cis-Propene-1,2,3-tricarboxylic acid, cis-1,2,3-Propenetricarboxylic Acid, cis-aconitate, cis-Oxaloacetic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:643757 CH$LINK: INCHIKEY GTZCVFVGUGFEME-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065707.txt index dd78796083b..ab871022b9d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065707 -RECORD_TITLE: Achilleaic acid, cis-Aconitic Acid, cis-Propene-1,2,3-tricarboxylic acid, cis-1,2,3-Propenetricarboxylic Acid, cis-aconitate, cis-Oxaloacetic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Achilleaic acid, cis-Aconitic Acid, cis-Propene-1,2,3-tricarboxylic acid, cis-1,2,3-Propenetricarboxylic Acid, cis-aconitate, cis-Oxaloacetic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:643757 CH$LINK: INCHIKEY GTZCVFVGUGFEME-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065708.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065708.txt index 4ad9827bb24..a5829c3636f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065708.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065708 -RECORD_TITLE: Achilleaic acid, cis-Aconitic Acid, cis-Propene-1,2,3-tricarboxylic acid, cis-1,2,3-Propenetricarboxylic Acid, cis-aconitate, cis-Oxaloacetic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Achilleaic acid, cis-Aconitic Acid, cis-Propene-1,2,3-tricarboxylic acid, cis-1,2,3-Propenetricarboxylic Acid, cis-aconitate, cis-Oxaloacetic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:643757 CH$LINK: INCHIKEY GTZCVFVGUGFEME-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065801.txt index 9c708845467..54b8ae06897 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065801 -RECORD_TITLE: Ac-Orn, N-alpha-Acetyl-L-ornithine, AOR, (2S)-2-acetamido-5-aminopentanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Ac-Orn, N-alpha-Acetyl-L-ornithine, AOR, (2S)-2-acetamido-5-aminopentanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439232 CH$LINK: INCHIKEY JRLGPAXAGHMNOL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065802.txt index a3d27199e08..2a7ebc0db9a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065802 -RECORD_TITLE: Ac-Orn, N-alpha-Acetyl-L-ornithine, AOR, (2S)-2-acetamido-5-aminopentanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Ac-Orn, N-alpha-Acetyl-L-ornithine, AOR, (2S)-2-acetamido-5-aminopentanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439232 CH$LINK: INCHIKEY JRLGPAXAGHMNOL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065803.txt index 67ff015f4b5..4fb1825b1fc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065803 -RECORD_TITLE: Ac-Orn, N-alpha-Acetyl-L-ornithine, AOR, (2S)-2-acetamido-5-aminopentanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Ac-Orn, N-alpha-Acetyl-L-ornithine, AOR, (2S)-2-acetamido-5-aminopentanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439232 CH$LINK: INCHIKEY JRLGPAXAGHMNOL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065804.txt index 62e46f30a95..d0c28be6c16 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065804 -RECORD_TITLE: Ac-Orn, N-alpha-Acetyl-L-ornithine, AOR, (2S)-2-acetamido-5-aminopentanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Ac-Orn, N-alpha-Acetyl-L-ornithine, AOR, (2S)-2-acetamido-5-aminopentanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439232 CH$LINK: INCHIKEY JRLGPAXAGHMNOL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065805.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065805.txt index 9844a4eaa7d..7b10785d18c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065805.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065805 -RECORD_TITLE: Ac-Orn, N-alpha-Acetyl-L-ornithine, AOR, (2S)-2-acetamido-5-aminopentanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Ac-Orn, N-alpha-Acetyl-L-ornithine, AOR, (2S)-2-acetamido-5-aminopentanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439232 CH$LINK: INCHIKEY JRLGPAXAGHMNOL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065901.txt index 5bf3d6911b3..bf11726fcc4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065901 -RECORD_TITLE: Ac-HSer, (2S)-4-(acetyloxy)-2-aminobutanoic acid, O-Acetyl-L-homoserine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: Ac-HSer, (2S)-4-(acetyloxy)-2-aminobutanoic acid, O-Acetyl-L-homoserine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439389 CH$LINK: INCHIKEY FCXZBWSIAGGPCB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065902.txt index b4d2b01e8ce..b43cc2dc246 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065902 -RECORD_TITLE: Ac-HSer, (2S)-4-(acetyloxy)-2-aminobutanoic acid, O-Acetyl-L-homoserine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: Ac-HSer, (2S)-4-(acetyloxy)-2-aminobutanoic acid, O-Acetyl-L-homoserine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439389 CH$LINK: INCHIKEY FCXZBWSIAGGPCB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065903.txt index e7b1f2bf01e..96684011d0d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065903 -RECORD_TITLE: Ac-HSer, (2S)-4-(acetyloxy)-2-aminobutanoic acid, O-Acetyl-L-homoserine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: Ac-HSer, (2S)-4-(acetyloxy)-2-aminobutanoic acid, O-Acetyl-L-homoserine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439389 CH$LINK: INCHIKEY FCXZBWSIAGGPCB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065904.txt index 5053af6d92d..2efa411bfca 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065904 -RECORD_TITLE: Ac-HSer, (2S)-4-(acetyloxy)-2-aminobutanoic acid, O-Acetyl-L-homoserine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: Ac-HSer, (2S)-4-(acetyloxy)-2-aminobutanoic acid, O-Acetyl-L-homoserine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439389 CH$LINK: INCHIKEY FCXZBWSIAGGPCB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065905.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065905.txt index 846b1bdc07e..44a514b0d2a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065905.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS065905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS065905 -RECORD_TITLE: Ac-HSer, (2S)-4-(acetyloxy)-2-aminobutanoic acid, O-Acetyl-L-homoserine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: Ac-HSer, (2S)-4-(acetyloxy)-2-aminobutanoic acid, O-Acetyl-L-homoserine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439389 CH$LINK: INCHIKEY FCXZBWSIAGGPCB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066001.txt index 75589699f69..2f96653187c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066001 -RECORD_TITLE: N-(4-Aminobutyl)guanidine sulfate salt, 1-Amino-4-guanidinobutane sulfate salt, Agmatine sulfate salt, 4-Guanidinobutylamine sulfate salt; LC-ESI-QQ; MS2 +RECORD_TITLE: N-(4-Aminobutyl)guanidine sulfate salt, 1-Amino-4-guanidinobutane sulfate salt, Agmatine sulfate salt, 4-Guanidinobutylamine sulfate salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:199 CH$LINK: INCHIKEY QYPPJABKJHAVHS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066002.txt index eff5507e043..b17026c4ee3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066002 -RECORD_TITLE: N-(4-Aminobutyl)guanidine sulfate salt, 1-Amino-4-guanidinobutane sulfate salt, Agmatine sulfate salt, 4-Guanidinobutylamine sulfate salt; LC-ESI-QQ; MS2 +RECORD_TITLE: N-(4-Aminobutyl)guanidine sulfate salt, 1-Amino-4-guanidinobutane sulfate salt, Agmatine sulfate salt, 4-Guanidinobutylamine sulfate salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:199 CH$LINK: INCHIKEY QYPPJABKJHAVHS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066003.txt index 27efd6d8b54..49247f24b25 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066003 -RECORD_TITLE: N-(4-Aminobutyl)guanidine sulfate salt, 1-Amino-4-guanidinobutane sulfate salt, Agmatine sulfate salt, 4-Guanidinobutylamine sulfate salt; LC-ESI-QQ; MS2 +RECORD_TITLE: N-(4-Aminobutyl)guanidine sulfate salt, 1-Amino-4-guanidinobutane sulfate salt, Agmatine sulfate salt, 4-Guanidinobutylamine sulfate salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:199 CH$LINK: INCHIKEY QYPPJABKJHAVHS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066101.txt index 260de05906c..dc86cf154a7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066101 -RECORD_TITLE: N'-Monoacetylspermine, N1-Acetylspermine Trihydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: N'-Monoacetylspermine, N1-Acetylspermine Trihydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:916 CH$LINK: INCHIKEY GUNURVWAJRRUAV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001093; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066102.txt index e3d253cb686..49ea2c862ad 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066102 -RECORD_TITLE: N'-Monoacetylspermine, N1-Acetylspermine Trihydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: N'-Monoacetylspermine, N1-Acetylspermine Trihydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:916 CH$LINK: INCHIKEY GUNURVWAJRRUAV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001093; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066103.txt index 4c06248c846..fe3e77c0d68 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066103 -RECORD_TITLE: N'-Monoacetylspermine, N1-Acetylspermine Trihydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: N'-Monoacetylspermine, N1-Acetylspermine Trihydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:916 CH$LINK: INCHIKEY GUNURVWAJRRUAV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001093; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066104.txt index 698643c5834..017d4e0a655 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066104 -RECORD_TITLE: N'-Monoacetylspermine, N1-Acetylspermine Trihydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: N'-Monoacetylspermine, N1-Acetylspermine Trihydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:916 CH$LINK: INCHIKEY GUNURVWAJRRUAV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001093; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066106.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066106.txt index 5824d7df4f4..d808bfc8241 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066106.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066106 -RECORD_TITLE: N'-Monoacetylspermine, N1-Acetylspermine Trihydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: N'-Monoacetylspermine, N1-Acetylspermine Trihydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:916 CH$LINK: INCHIKEY GUNURVWAJRRUAV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001093; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066201.txt index de67c99cfdf..2ba08239ea9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066201 -RECORD_TITLE: AICAR monophosphate, ZMP, Z-nucleotide, 5'-Phospho-ribosyl-5-amino-4-imidazole carboxamide, 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide, 5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide, AICAR, AICAriboside 5'-monophosphate, 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate, N1-(beta-D-5'-Phosphoribofuranosyl)-5-aminoimidazole-4-carboxamide, 5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole; LC-ESI-QQ; MS2 +RECORD_TITLE: AICAR monophosphate, ZMP, Z-nucleotide, 5'-Phospho-ribosyl-5-amino-4-imidazole carboxamide, 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide, 5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide, AICAR, AICAriboside 5'-monophosphate, 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate, N1-(beta-D-5'-Phosphoribofuranosyl)-5-aminoimidazole-4-carboxamide, 5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:65110 CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001420; Organic compounds; Nucleosides, nucleotides, and analogues; Imidazole ribonucleosides and ribonucleotides; 1-ribosyl-imidazolecarboxamides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066202.txt index 07eec5fd99b..a2301924852 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066202 -RECORD_TITLE: AICAR monophosphate, ZMP, Z-nucleotide, 5'-Phospho-ribosyl-5-amino-4-imidazole carboxamide, 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide, 5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide, AICAR, AICAriboside 5'-monophosphate, 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate, N1-(beta-D-5'-Phosphoribofuranosyl)-5-aminoimidazole-4-carboxamide, 5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole; LC-ESI-QQ; MS2 +RECORD_TITLE: AICAR monophosphate, ZMP, Z-nucleotide, 5'-Phospho-ribosyl-5-amino-4-imidazole carboxamide, 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide, 5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide, AICAR, AICAriboside 5'-monophosphate, 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate, N1-(beta-D-5'-Phosphoribofuranosyl)-5-aminoimidazole-4-carboxamide, 5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:65110 CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001420; Organic compounds; Nucleosides, nucleotides, and analogues; Imidazole ribonucleosides and ribonucleotides; 1-ribosyl-imidazolecarboxamides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066203.txt index cae2996ca1a..fca73ea14b4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066203 -RECORD_TITLE: AICAR monophosphate, ZMP, Z-nucleotide, 5'-Phospho-ribosyl-5-amino-4-imidazole carboxamide, 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide, 5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide, AICAR, AICAriboside 5'-monophosphate, 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate, N1-(beta-D-5'-Phosphoribofuranosyl)-5-aminoimidazole-4-carboxamide, 5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole; LC-ESI-QQ; MS2 +RECORD_TITLE: AICAR monophosphate, ZMP, Z-nucleotide, 5'-Phospho-ribosyl-5-amino-4-imidazole carboxamide, 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide, 5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide, AICAR, AICAriboside 5'-monophosphate, 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate, N1-(beta-D-5'-Phosphoribofuranosyl)-5-aminoimidazole-4-carboxamide, 5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:65110 CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001420; Organic compounds; Nucleosides, nucleotides, and analogues; Imidazole ribonucleosides and ribonucleotides; 1-ribosyl-imidazolecarboxamides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066204.txt index 1992e149f8c..fd0c4e5c476 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066204 -RECORD_TITLE: AICAR monophosphate, ZMP, Z-nucleotide, 5'-Phospho-ribosyl-5-amino-4-imidazole carboxamide, 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide, 5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide, AICAR, AICAriboside 5'-monophosphate, 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate, N1-(beta-D-5'-Phosphoribofuranosyl)-5-aminoimidazole-4-carboxamide, 5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole; LC-ESI-QQ; MS2 +RECORD_TITLE: AICAR monophosphate, ZMP, Z-nucleotide, 5'-Phospho-ribosyl-5-amino-4-imidazole carboxamide, 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide, 5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide, AICAR, AICAriboside 5'-monophosphate, 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate, N1-(beta-D-5'-Phosphoribofuranosyl)-5-aminoimidazole-4-carboxamide, 5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:65110 CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001420; Organic compounds; Nucleosides, nucleotides, and analogues; Imidazole ribonucleosides and ribonucleotides; 1-ribosyl-imidazolecarboxamides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066205.txt index 2909ea80963..20f16f759ca 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066205 -RECORD_TITLE: AICAR monophosphate, ZMP, Z-nucleotide, 5'-Phospho-ribosyl-5-amino-4-imidazole carboxamide, 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide, 5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide, AICAR, AICAriboside 5'-monophosphate, 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate, N1-(beta-D-5'-Phosphoribofuranosyl)-5-aminoimidazole-4-carboxamide, 5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole; LC-ESI-QQ; MS2 +RECORD_TITLE: AICAR monophosphate, ZMP, Z-nucleotide, 5'-Phospho-ribosyl-5-amino-4-imidazole carboxamide, 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide, 5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide, AICAR, AICAriboside 5'-monophosphate, 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate, N1-(beta-D-5'-Phosphoribofuranosyl)-5-aminoimidazole-4-carboxamide, 5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:65110 CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001420; Organic compounds; Nucleosides, nucleotides, and analogues; Imidazole ribonucleosides and ribonucleotides; 1-ribosyl-imidazolecarboxamides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066206.txt index 288f569fe83..28144ac0b0b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066206 -RECORD_TITLE: AICAR monophosphate, ZMP, Z-nucleotide, 5'-Phospho-ribosyl-5-amino-4-imidazole carboxamide, 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide, 5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide, AICAR, AICAriboside 5'-monophosphate, 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate, N1-(beta-D-5'-Phosphoribofuranosyl)-5-aminoimidazole-4-carboxamide, 5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole; LC-ESI-QQ; MS2 +RECORD_TITLE: AICAR monophosphate, ZMP, Z-nucleotide, 5'-Phospho-ribosyl-5-amino-4-imidazole carboxamide, 1-(5'-Phosphoribosyl)-5-amino-4-imidazolecarboxamide, 5'-Phosphoribosyl-5-amino-4-imidazolecarboxamide, AICAR, AICAriboside 5'-monophosphate, 5-Aminoimidazole-4-carboxamide-1-beta-D-ribofuranosyl 5'-monophosphate, N1-(beta-D-5'-Phosphoribofuranosyl)-5-aminoimidazole-4-carboxamide, 5-Phosphoribosyl-4-carbamoyl-5-aminoimidazole; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:65110 CH$LINK: INCHIKEY NOTGFIUVDGNKRI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001420; Organic compounds; Nucleosides, nucleotides, and analogues; Imidazole ribonucleosides and ribonucleotides; 1-ribosyl-imidazolecarboxamides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066401.txt index 2beaaa63145..c8d1290e8b3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066401 -RECORD_TITLE: D-Ala-D-ala, D-Alanyl-D-alanine, D-Alaninyl-D-alanine; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Ala-D-ala, D-Alanyl-D-alanine, D-Alaninyl-D-alanine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5460362 CH$LINK: INCHIKEY DEFJQIDDEAULHB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066402.txt index b996675b237..b13e16d47aa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066402 -RECORD_TITLE: D-Ala-D-ala, D-Alanyl-D-alanine, D-Alaninyl-D-alanine; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Ala-D-ala, D-Alanyl-D-alanine, D-Alaninyl-D-alanine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5460362 CH$LINK: INCHIKEY DEFJQIDDEAULHB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066403.txt index c07d0b22f70..5ceeeb92fce 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066403 -RECORD_TITLE: D-Ala-D-ala, D-Alanyl-D-alanine, D-Alaninyl-D-alanine; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Ala-D-ala, D-Alanyl-D-alanine, D-Alaninyl-D-alanine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5460362 CH$LINK: INCHIKEY DEFJQIDDEAULHB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066404.txt index 52965fd3947..1722fb713f4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066404 -RECORD_TITLE: D-Ala-D-ala, D-Alanyl-D-alanine, D-Alaninyl-D-alanine; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Ala-D-ala, D-Alanyl-D-alanine, D-Alaninyl-D-alanine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5460362 CH$LINK: INCHIKEY DEFJQIDDEAULHB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066405.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066405.txt index 468963bdf12..9bc953c7045 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066405.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066405 -RECORD_TITLE: D-Ala-D-ala, D-Alanyl-D-alanine, D-Alaninyl-D-alanine; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Ala-D-ala, D-Alanyl-D-alanine, D-Alaninyl-D-alanine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5460362 CH$LINK: INCHIKEY DEFJQIDDEAULHB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066406.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066406.txt index e95e856606c..4c9a2f8cdb8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066406.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066406.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066406 -RECORD_TITLE: D-Ala-D-ala, D-Alanyl-D-alanine, D-Alaninyl-D-alanine; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Ala-D-ala, D-Alanyl-D-alanine, D-Alaninyl-D-alanine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5460362 CH$LINK: INCHIKEY DEFJQIDDEAULHB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066407.txt index 7dca9e531e3..43a7d70119e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066407 -RECORD_TITLE: D-Ala-D-ala, D-Alanyl-D-alanine, D-Alaninyl-D-alanine; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Ala-D-ala, D-Alanyl-D-alanine, D-Alaninyl-D-alanine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5460362 CH$LINK: INCHIKEY DEFJQIDDEAULHB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066501.txt index e26af15265d..8fd3af6168f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066501 -RECORD_TITLE: S-(beta-Amino-beta-carboxyethyl)homocysteine, L(+)-Cystathionine, (R)-S-(2-Amino-2-carboxyethyl)-L-homocysteine; LC-ESI-QQ; MS2 +RECORD_TITLE: S-(beta-Amino-beta-carboxyethyl)homocysteine, L(+)-Cystathionine, (R)-S-(2-Amino-2-carboxyethyl)-L-homocysteine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439258 CH$LINK: INCHIKEY ILRYLPWNYFXEMH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066502.txt index 1250024ce9e..e12c21e9c2c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066502 -RECORD_TITLE: S-(beta-Amino-beta-carboxyethyl)homocysteine, L(+)-Cystathionine, (R)-S-(2-Amino-2-carboxyethyl)-L-homocysteine; LC-ESI-QQ; MS2 +RECORD_TITLE: S-(beta-Amino-beta-carboxyethyl)homocysteine, L(+)-Cystathionine, (R)-S-(2-Amino-2-carboxyethyl)-L-homocysteine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439258 CH$LINK: INCHIKEY ILRYLPWNYFXEMH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066503.txt index cdc2f67b016..9059e05cdbe 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066503 -RECORD_TITLE: S-(beta-Amino-beta-carboxyethyl)homocysteine, L(+)-Cystathionine, (R)-S-(2-Amino-2-carboxyethyl)-L-homocysteine; LC-ESI-QQ; MS2 +RECORD_TITLE: S-(beta-Amino-beta-carboxyethyl)homocysteine, L(+)-Cystathionine, (R)-S-(2-Amino-2-carboxyethyl)-L-homocysteine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439258 CH$LINK: INCHIKEY ILRYLPWNYFXEMH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066504.txt index 5403c867c71..9431ab75d5a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066504 -RECORD_TITLE: S-(beta-Amino-beta-carboxyethyl)homocysteine, L(+)-Cystathionine, (R)-S-(2-Amino-2-carboxyethyl)-L-homocysteine; LC-ESI-QQ; MS2 +RECORD_TITLE: S-(beta-Amino-beta-carboxyethyl)homocysteine, L(+)-Cystathionine, (R)-S-(2-Amino-2-carboxyethyl)-L-homocysteine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439258 CH$LINK: INCHIKEY ILRYLPWNYFXEMH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066505.txt index 08c6c8c65ee..fb90dca887f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066505 -RECORD_TITLE: S-(beta-Amino-beta-carboxyethyl)homocysteine, L(+)-Cystathionine, (R)-S-(2-Amino-2-carboxyethyl)-L-homocysteine; LC-ESI-QQ; MS2 +RECORD_TITLE: S-(beta-Amino-beta-carboxyethyl)homocysteine, L(+)-Cystathionine, (R)-S-(2-Amino-2-carboxyethyl)-L-homocysteine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439258 CH$LINK: INCHIKEY ILRYLPWNYFXEMH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066506.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066506.txt index 0590bff94f9..d7b4109dd99 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066506.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066506 -RECORD_TITLE: S-(beta-Amino-beta-carboxyethyl)homocysteine, L(+)-Cystathionine, (R)-S-(2-Amino-2-carboxyethyl)-L-homocysteine; LC-ESI-QQ; MS2 +RECORD_TITLE: S-(beta-Amino-beta-carboxyethyl)homocysteine, L(+)-Cystathionine, (R)-S-(2-Amino-2-carboxyethyl)-L-homocysteine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439258 CH$LINK: INCHIKEY ILRYLPWNYFXEMH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066801.txt index c9b046902d0..f60a0f07ac1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066801 -RECORD_TITLE: 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid sodium salt, Cholalin, ursocholic acid, Chenodiol, Cholsaeure, Cholalic acid, Colalin, chenodeoxycholic acid, Sodium Cholate Hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid sodium salt, Cholalin, ursocholic acid, Chenodiol, Cholsaeure, Cholalic acid, Colalin, chenodeoxycholic acid, Sodium Cholate Hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:221493 CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066802.txt index b101f2b477c..4dd10145888 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066802 -RECORD_TITLE: 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid sodium salt, Cholalin, ursocholic acid, Chenodiol, Cholsaeure, Cholalic acid, Colalin, chenodeoxycholic acid, Sodium Cholate Hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid sodium salt, Cholalin, ursocholic acid, Chenodiol, Cholsaeure, Cholalic acid, Colalin, chenodeoxycholic acid, Sodium Cholate Hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:221493 CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066803.txt index 23130b6fb9e..fdaaf8d04b9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066803 -RECORD_TITLE: 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid sodium salt, Cholalin, ursocholic acid, Chenodiol, Cholsaeure, Cholalic acid, Colalin, chenodeoxycholic acid, Sodium Cholate Hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid sodium salt, Cholalin, ursocholic acid, Chenodiol, Cholsaeure, Cholalic acid, Colalin, chenodeoxycholic acid, Sodium Cholate Hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:221493 CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066804.txt index 961097e44eb..a99c548babb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066804 -RECORD_TITLE: 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid sodium salt, Cholalin, ursocholic acid, Chenodiol, Cholsaeure, Cholalic acid, Colalin, chenodeoxycholic acid, Sodium Cholate Hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid sodium salt, Cholalin, ursocholic acid, Chenodiol, Cholsaeure, Cholalic acid, Colalin, chenodeoxycholic acid, Sodium Cholate Hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:221493 CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066807.txt index 929097c2eb6..171e2cbec7b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066807 -RECORD_TITLE: 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid sodium salt, Cholalin, ursocholic acid, Chenodiol, Cholsaeure, Cholalic acid, Colalin, chenodeoxycholic acid, Sodium Cholate Hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid sodium salt, Cholalin, ursocholic acid, Chenodiol, Cholsaeure, Cholalic acid, Colalin, chenodeoxycholic acid, Sodium Cholate Hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:221493 CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066808.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066808.txt index 8c9538c9769..1132f18ee27 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066808.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066808 -RECORD_TITLE: 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid sodium salt, Cholalin, ursocholic acid, Chenodiol, Cholsaeure, Cholalic acid, Colalin, chenodeoxycholic acid, Sodium Cholate Hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid sodium salt, Cholalin, ursocholic acid, Chenodiol, Cholsaeure, Cholalic acid, Colalin, chenodeoxycholic acid, Sodium Cholate Hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:221493 CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066809.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066809.txt index 4e9260e735c..ce4e489bcc3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066809.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066809.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066809 -RECORD_TITLE: 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid sodium salt, Cholalin, ursocholic acid, Chenodiol, Cholsaeure, Cholalic acid, Colalin, chenodeoxycholic acid, Sodium Cholate Hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid sodium salt, Cholalin, ursocholic acid, Chenodiol, Cholsaeure, Cholalic acid, Colalin, chenodeoxycholic acid, Sodium Cholate Hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:221493 CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066810.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066810.txt index 19502fe78a7..3a30c9e78f4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066810.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066810.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066810 -RECORD_TITLE: 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid sodium salt, Cholalin, ursocholic acid, Chenodiol, Cholsaeure, Cholalic acid, Colalin, chenodeoxycholic acid, Sodium Cholate Hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid sodium salt, Cholalin, ursocholic acid, Chenodiol, Cholsaeure, Cholalic acid, Colalin, chenodeoxycholic acid, Sodium Cholate Hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:221493 CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066811.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066811.txt index 7fd6cbfa3d7..e59e9ee0b6c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066811.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066811.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066811 -RECORD_TITLE: 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid sodium salt, Cholalin, ursocholic acid, Chenodiol, Cholsaeure, Cholalic acid, Colalin, chenodeoxycholic acid, Sodium Cholate Hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholan-24-oic acid sodium salt, Cholalin, ursocholic acid, Chenodiol, Cholsaeure, Cholalic acid, Colalin, chenodeoxycholic acid, Sodium Cholate Hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:221493 CH$LINK: INCHIKEY BHQCQFFYRZLCQQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066901.txt index 7a9de7c146f..158ae1221a9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066901 -RECORD_TITLE: Cytidine-3'-monophosphate, 3'-CMP, CMP, 3'-cytosylic acid, 4-Amino-1-beta-D-ribofuranosyl-2(H)-pyrimidinone 3'-dihydrogen phosphate, 3'-Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Cytidine-3'-monophosphate, 3'-CMP, CMP, 3'-cytosylic acid, 4-Amino-1-beta-D-ribofuranosyl-2(H)-pyrimidinone 3'-dihydrogen phosphate, 3'-Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:66535 CH$LINK: INCHIKEY UOOOPKANIPLQPU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004404; Organic compounds; Nucleosides, nucleotides, and analogues; Ribonucleoside 3'-phosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066902.txt index 32deb88b27f..fe9cb68bec2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066902 -RECORD_TITLE: Cytidine-3'-monophosphate, 3'-CMP, CMP, 3'-cytosylic acid, 4-Amino-1-beta-D-ribofuranosyl-2(H)-pyrimidinone 3'-dihydrogen phosphate, 3'-Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Cytidine-3'-monophosphate, 3'-CMP, CMP, 3'-cytosylic acid, 4-Amino-1-beta-D-ribofuranosyl-2(H)-pyrimidinone 3'-dihydrogen phosphate, 3'-Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:66535 CH$LINK: INCHIKEY UOOOPKANIPLQPU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004404; Organic compounds; Nucleosides, nucleotides, and analogues; Ribonucleoside 3'-phosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066903.txt index 7c2286f6303..4e3361b2bf8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066903 -RECORD_TITLE: Cytidine-3'-monophosphate, 3'-CMP, CMP, 3'-cytosylic acid, 4-Amino-1-beta-D-ribofuranosyl-2(H)-pyrimidinone 3'-dihydrogen phosphate, 3'-Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Cytidine-3'-monophosphate, 3'-CMP, CMP, 3'-cytosylic acid, 4-Amino-1-beta-D-ribofuranosyl-2(H)-pyrimidinone 3'-dihydrogen phosphate, 3'-Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:66535 CH$LINK: INCHIKEY UOOOPKANIPLQPU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004404; Organic compounds; Nucleosides, nucleotides, and analogues; Ribonucleoside 3'-phosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066904.txt index e2898a1f85d..38088ab4bc6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066904 -RECORD_TITLE: Cytidine-3'-monophosphate, 3'-CMP, CMP, 3'-cytosylic acid, 4-Amino-1-beta-D-ribofuranosyl-2(H)-pyrimidinone 3'-dihydrogen phosphate, 3'-Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Cytidine-3'-monophosphate, 3'-CMP, CMP, 3'-cytosylic acid, 4-Amino-1-beta-D-ribofuranosyl-2(H)-pyrimidinone 3'-dihydrogen phosphate, 3'-Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:66535 CH$LINK: INCHIKEY UOOOPKANIPLQPU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004404; Organic compounds; Nucleosides, nucleotides, and analogues; Ribonucleoside 3'-phosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066905.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066905.txt index c8d7e757b30..9cb55952f78 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066905.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066905 -RECORD_TITLE: Cytidine-3'-monophosphate, 3'-CMP, CMP, 3'-cytosylic acid, 4-Amino-1-beta-D-ribofuranosyl-2(H)-pyrimidinone 3'-dihydrogen phosphate, 3'-Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Cytidine-3'-monophosphate, 3'-CMP, CMP, 3'-cytosylic acid, 4-Amino-1-beta-D-ribofuranosyl-2(H)-pyrimidinone 3'-dihydrogen phosphate, 3'-Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:66535 CH$LINK: INCHIKEY UOOOPKANIPLQPU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004404; Organic compounds; Nucleosides, nucleotides, and analogues; Ribonucleoside 3'-phosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066906.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066906.txt index 2ef9d56fcf9..f2e6f6ce1a5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066906.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066906.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066906 -RECORD_TITLE: Cytidine-3'-monophosphate, 3'-CMP, CMP, 3'-cytosylic acid, 4-Amino-1-beta-D-ribofuranosyl-2(H)-pyrimidinone 3'-dihydrogen phosphate, 3'-Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Cytidine-3'-monophosphate, 3'-CMP, CMP, 3'-cytosylic acid, 4-Amino-1-beta-D-ribofuranosyl-2(H)-pyrimidinone 3'-dihydrogen phosphate, 3'-Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:66535 CH$LINK: INCHIKEY UOOOPKANIPLQPU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004404; Organic compounds; Nucleosides, nucleotides, and analogues; Ribonucleoside 3'-phosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066907.txt index 32df2e0e625..e5376911368 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066907 -RECORD_TITLE: Cytidine-3'-monophosphate, 3'-CMP, CMP, 3'-cytosylic acid, 4-Amino-1-beta-D-ribofuranosyl-2(H)-pyrimidinone 3'-dihydrogen phosphate, 3'-Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Cytidine-3'-monophosphate, 3'-CMP, CMP, 3'-cytosylic acid, 4-Amino-1-beta-D-ribofuranosyl-2(H)-pyrimidinone 3'-dihydrogen phosphate, 3'-Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:66535 CH$LINK: INCHIKEY UOOOPKANIPLQPU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004404; Organic compounds; Nucleosides, nucleotides, and analogues; Ribonucleoside 3'-phosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066908.txt index 520e738e985..7db018b5edf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS066908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS066908 -RECORD_TITLE: Cytidine-3'-monophosphate, 3'-CMP, CMP, 3'-cytosylic acid, 4-Amino-1-beta-D-ribofuranosyl-2(H)-pyrimidinone 3'-dihydrogen phosphate, 3'-Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Cytidine-3'-monophosphate, 3'-CMP, CMP, 3'-cytosylic acid, 4-Amino-1-beta-D-ribofuranosyl-2(H)-pyrimidinone 3'-dihydrogen phosphate, 3'-Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:66535 CH$LINK: INCHIKEY UOOOPKANIPLQPU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004404; Organic compounds; Nucleosides, nucleotides, and analogues; Ribonucleoside 3'-phosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067001.txt index 94ccf2e22f6..ba47cfb68d6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS067001 -RECORD_TITLE: 8-Isopropyl-1,3-dimethyltricyclo(4.4.0.02,7)dec-3-ene, alpha-Copaene, (-)-alpha-Copaene, Ylangene; LC-ESI-QQ; MS2 +RECORD_TITLE: 8-Isopropyl-1,3-dimethyltricyclo(4.4.0.02,7)dec-3-ene, alpha-Copaene, (-)-alpha-Copaene, Ylangene; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:442355 CH$LINK: INCHIKEY VLXDPFLIRFYIME-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001550; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067101.txt index 7f0843f568c..c4d58a8a038 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS067101 -RECORD_TITLE: Dihydrocodehydrogenase I, Coenzyme I reduced, Cozymase, Reduced Form, Codehydrase I Reduced Form, beta-Diphosphopyridine nucleotide, disodium salt, reduced form, beta-NADH, beta-Diphosphopyridine Nucleotide Reduced Form, beta-DPNH, beta-nicotinamide adenine Dl-nucleotide, NAD-reduced; LC-ESI-QQ; MS2 +RECORD_TITLE: Dihydrocodehydrogenase I, Coenzyme I reduced, Cozymase, Reduced Form, Codehydrase I Reduced Form, beta-Diphosphopyridine nucleotide, disodium salt, reduced form, beta-NADH, beta-Diphosphopyridine Nucleotide Reduced Form, beta-DPNH, beta-nicotinamide adenine Dl-nucleotide, NAD-reduced; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:439153 CH$LINK: INCHIKEY BOPGDPNILDQYTO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003468; Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067102.txt index 6e20a6f290f..cefc8952db9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS067102 -RECORD_TITLE: Dihydrocodehydrogenase I, Coenzyme I reduced, Cozymase, Reduced Form, Codehydrase I Reduced Form, beta-Diphosphopyridine nucleotide, disodium salt, reduced form, beta-NADH, beta-Diphosphopyridine Nucleotide Reduced Form, beta-DPNH, beta-nicotinamide adenine Dl-nucleotide, NAD-reduced; LC-ESI-QQ; MS2 +RECORD_TITLE: Dihydrocodehydrogenase I, Coenzyme I reduced, Cozymase, Reduced Form, Codehydrase I Reduced Form, beta-Diphosphopyridine nucleotide, disodium salt, reduced form, beta-NADH, beta-Diphosphopyridine Nucleotide Reduced Form, beta-DPNH, beta-nicotinamide adenine Dl-nucleotide, NAD-reduced; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:439153 CH$LINK: INCHIKEY BOPGDPNILDQYTO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003468; Organic compounds; Nucleosides, nucleotides, and analogues; (5'->5')-dinucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067401.txt index fb624d501f0..e56f6a2c236 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS067401 -RECORD_TITLE: 2'-Deoxyguanosine-5'-diphosphate sodium salt, dGDP, DGI, deoxy-GDP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxyguanosine-5'-diphosphate sodium salt, dGDP, DGI, deoxy-GDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439220 CH$LINK: INCHIKEY CIKGWCTVFSRMJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067402.txt index f9d738e051d..41e51db5c77 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS067402 -RECORD_TITLE: 2'-Deoxyguanosine-5'-diphosphate sodium salt, dGDP, DGI, deoxy-GDP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxyguanosine-5'-diphosphate sodium salt, dGDP, DGI, deoxy-GDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439220 CH$LINK: INCHIKEY CIKGWCTVFSRMJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067403.txt index 57510f5a314..48f000eba92 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS067403 -RECORD_TITLE: 2'-Deoxyguanosine-5'-diphosphate sodium salt, dGDP, DGI, deoxy-GDP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxyguanosine-5'-diphosphate sodium salt, dGDP, DGI, deoxy-GDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439220 CH$LINK: INCHIKEY CIKGWCTVFSRMJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067404.txt index 315aab332ce..ad1d9af740d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS067404 -RECORD_TITLE: 2'-Deoxyguanosine-5'-diphosphate sodium salt, dGDP, DGI, deoxy-GDP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxyguanosine-5'-diphosphate sodium salt, dGDP, DGI, deoxy-GDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439220 CH$LINK: INCHIKEY CIKGWCTVFSRMJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067405.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067405.txt index 21138a17fd0..97eb2aee6a8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067405.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS067405 -RECORD_TITLE: 2'-Deoxyguanosine-5'-diphosphate sodium salt, dGDP, DGI, deoxy-GDP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxyguanosine-5'-diphosphate sodium salt, dGDP, DGI, deoxy-GDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439220 CH$LINK: INCHIKEY CIKGWCTVFSRMJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067407.txt index dfcaf513427..9e024d98f34 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS067407 -RECORD_TITLE: 2'-Deoxyguanosine-5'-diphosphate sodium salt, dGDP, DGI, deoxy-GDP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxyguanosine-5'-diphosphate sodium salt, dGDP, DGI, deoxy-GDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439220 CH$LINK: INCHIKEY CIKGWCTVFSRMJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067408.txt index 3eb06287273..b5beadd05a8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS067408 -RECORD_TITLE: 2'-Deoxyguanosine-5'-diphosphate sodium salt, dGDP, DGI, deoxy-GDP; LC-ESI-QQ; MS2 +RECORD_TITLE: 2'-Deoxyguanosine-5'-diphosphate sodium salt, dGDP, DGI, deoxy-GDP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439220 CH$LINK: INCHIKEY CIKGWCTVFSRMJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002134; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067501.txt index 174b607788e..0ca5816fc52 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS067501 -RECORD_TITLE: Vitamin L2, MTA, 5'-Deoxy-5'-Methylthioadenosine, Thiomethyladenosine, 5-Methylthioadenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin L2, MTA, 5'-Deoxy-5'-Methylthioadenosine, Thiomethyladenosine, 5-Methylthioadenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439176 CH$LINK: INCHIKEY WUUGFSXJNOTRMR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004503; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067502.txt index 06bf1a430eb..e29116e2fd3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS067502 -RECORD_TITLE: Vitamin L2, MTA, 5'-Deoxy-5'-Methylthioadenosine, Thiomethyladenosine, 5-Methylthioadenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin L2, MTA, 5'-Deoxy-5'-Methylthioadenosine, Thiomethyladenosine, 5-Methylthioadenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439176 CH$LINK: INCHIKEY WUUGFSXJNOTRMR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004503; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067503.txt index 977b1f20fc4..6ea2eac42aa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS067503 -RECORD_TITLE: Vitamin L2, MTA, 5'-Deoxy-5'-Methylthioadenosine, Thiomethyladenosine, 5-Methylthioadenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin L2, MTA, 5'-Deoxy-5'-Methylthioadenosine, Thiomethyladenosine, 5-Methylthioadenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439176 CH$LINK: INCHIKEY WUUGFSXJNOTRMR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004503; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067504.txt index 54e4813dcc5..59ace3e561b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS067504 -RECORD_TITLE: Vitamin L2, MTA, 5'-Deoxy-5'-Methylthioadenosine, Thiomethyladenosine, 5-Methylthioadenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin L2, MTA, 5'-Deoxy-5'-Methylthioadenosine, Thiomethyladenosine, 5-Methylthioadenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439176 CH$LINK: INCHIKEY WUUGFSXJNOTRMR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004503; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067505.txt index 4454ac0a676..4612b05ad7e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS067505 -RECORD_TITLE: Vitamin L2, MTA, 5'-Deoxy-5'-Methylthioadenosine, Thiomethyladenosine, 5-Methylthioadenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin L2, MTA, 5'-Deoxy-5'-Methylthioadenosine, Thiomethyladenosine, 5-Methylthioadenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439176 CH$LINK: INCHIKEY WUUGFSXJNOTRMR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004503; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067506.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067506.txt index 26484680be1..758f3b1181a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067506.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS067506 -RECORD_TITLE: Vitamin L2, MTA, 5'-Deoxy-5'-Methylthioadenosine, Thiomethyladenosine, 5-Methylthioadenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin L2, MTA, 5'-Deoxy-5'-Methylthioadenosine, Thiomethyladenosine, 5-Methylthioadenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439176 CH$LINK: INCHIKEY WUUGFSXJNOTRMR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004503; Organic compounds; Nucleosides, nucleotides, and analogues; 5'-deoxyribonucleosides; 5'-deoxy-5'-thionucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067701.txt index 948305fd15b..1c13446274f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS067701 -RECORD_TITLE: (S)-2-Methyl-4-(1H-purin-6-ylamino)-1-butanol, N6-(4-Hydroxyisopentanyl)adenine, 6-(4-Hydroxy-3-methylbutylamino)purine, DHZ, 2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol, DL-Dihydrozeatin; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-2-Methyl-4-(1H-purin-6-ylamino)-1-butanol, N6-(4-Hydroxyisopentanyl)adenine, 6-(4-Hydroxy-3-methylbutylamino)purine, DHZ, 2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol, DL-Dihydrozeatin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439631 CH$LINK: INCHIKEY XXFACTAYGKKOQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067702.txt index d415da0550c..901dac1c46b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS067702 -RECORD_TITLE: (S)-2-Methyl-4-(1H-purin-6-ylamino)-1-butanol, N6-(4-Hydroxyisopentanyl)adenine, 6-(4-Hydroxy-3-methylbutylamino)purine, DHZ, 2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol, DL-Dihydrozeatin; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-2-Methyl-4-(1H-purin-6-ylamino)-1-butanol, N6-(4-Hydroxyisopentanyl)adenine, 6-(4-Hydroxy-3-methylbutylamino)purine, DHZ, 2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol, DL-Dihydrozeatin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439631 CH$LINK: INCHIKEY XXFACTAYGKKOQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067703.txt index e029f83c438..490860c99f6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS067703 -RECORD_TITLE: (S)-2-Methyl-4-(1H-purin-6-ylamino)-1-butanol, N6-(4-Hydroxyisopentanyl)adenine, 6-(4-Hydroxy-3-methylbutylamino)purine, DHZ, 2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol, DL-Dihydrozeatin; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-2-Methyl-4-(1H-purin-6-ylamino)-1-butanol, N6-(4-Hydroxyisopentanyl)adenine, 6-(4-Hydroxy-3-methylbutylamino)purine, DHZ, 2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol, DL-Dihydrozeatin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439631 CH$LINK: INCHIKEY XXFACTAYGKKOQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067704.txt index 1760bbdf77e..1719a22d232 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS067704 -RECORD_TITLE: (S)-2-Methyl-4-(1H-purin-6-ylamino)-1-butanol, N6-(4-Hydroxyisopentanyl)adenine, 6-(4-Hydroxy-3-methylbutylamino)purine, DHZ, 2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol, DL-Dihydrozeatin; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-2-Methyl-4-(1H-purin-6-ylamino)-1-butanol, N6-(4-Hydroxyisopentanyl)adenine, 6-(4-Hydroxy-3-methylbutylamino)purine, DHZ, 2-Methyl-4-(1H-purin-6-ylamino)butan-1-ol, DL-Dihydrozeatin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439631 CH$LINK: INCHIKEY XXFACTAYGKKOQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067801.txt index 44294e3ca8b..08567d7f827 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS067801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS067801 -RECORD_TITLE: Beheninic Acid, Docosanoate, Carboxylic Acid C22, 1-Docosanoic acid, Behenic acid, Docosanoic acid from Rapeseed; LC-ESI-QQ; MS2 +RECORD_TITLE: Beheninic Acid, Docosanoate, Carboxylic Acid C22, 1-Docosanoic acid, Behenic acid, Docosanoic acid from Rapeseed; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8215 CH$LINK: INCHIKEY UKMSUNONTOPOIO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068001.txt index 258ff95e1d2..aee68b98f57 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS068001 -RECORD_TITLE: Formononetol, Neochanin, Formononectin, 7-Hydroxy-4'-Methoxyisoflavone, 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone, Biochanin B, 7-Hydroxy-3-(4-methoxyphenyl)chromen-4-one, Formononetin, 7-Hydroxy-3-(4-methoxyphenyl)chromone; LC-ESI-QQ; MS2 +RECORD_TITLE: Formononetol, Neochanin, Formononectin, 7-Hydroxy-4'-Methoxyisoflavone, 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone, Biochanin B, 7-Hydroxy-3-(4-methoxyphenyl)chromen-4-one, Formononetin, 7-Hydroxy-3-(4-methoxyphenyl)chromone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280378 CH$LINK: INCHIKEY HKQYGTCOTHHOMP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002586; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; O-methylated isoflavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068002.txt index aad855c6052..c414ca00229 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS068002 -RECORD_TITLE: Formononetol, Neochanin, Formononectin, 7-Hydroxy-4'-Methoxyisoflavone, 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone, Biochanin B, 7-Hydroxy-3-(4-methoxyphenyl)chromen-4-one, Formononetin, 7-Hydroxy-3-(4-methoxyphenyl)chromone; LC-ESI-QQ; MS2 +RECORD_TITLE: Formononetol, Neochanin, Formononectin, 7-Hydroxy-4'-Methoxyisoflavone, 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone, Biochanin B, 7-Hydroxy-3-(4-methoxyphenyl)chromen-4-one, Formononetin, 7-Hydroxy-3-(4-methoxyphenyl)chromone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280378 CH$LINK: INCHIKEY HKQYGTCOTHHOMP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002586; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; O-methylated isoflavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068003.txt index f452fde33bc..26bba12e1b1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS068003 -RECORD_TITLE: Formononetol, Neochanin, Formononectin, 7-Hydroxy-4'-Methoxyisoflavone, 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone, Biochanin B, 7-Hydroxy-3-(4-methoxyphenyl)chromen-4-one, Formononetin, 7-Hydroxy-3-(4-methoxyphenyl)chromone; LC-ESI-QQ; MS2 +RECORD_TITLE: Formononetol, Neochanin, Formononectin, 7-Hydroxy-4'-Methoxyisoflavone, 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone, Biochanin B, 7-Hydroxy-3-(4-methoxyphenyl)chromen-4-one, Formononetin, 7-Hydroxy-3-(4-methoxyphenyl)chromone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280378 CH$LINK: INCHIKEY HKQYGTCOTHHOMP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002586; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; O-methylated isoflavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068004.txt index f470b2e0c0b..e9ac8f7e9bf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS068004 -RECORD_TITLE: Formononetol, Neochanin, Formononectin, 7-Hydroxy-4'-Methoxyisoflavone, 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone, Biochanin B, 7-Hydroxy-3-(4-methoxyphenyl)chromen-4-one, Formononetin, 7-Hydroxy-3-(4-methoxyphenyl)chromone; LC-ESI-QQ; MS2 +RECORD_TITLE: Formononetol, Neochanin, Formononectin, 7-Hydroxy-4'-Methoxyisoflavone, 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone, Biochanin B, 7-Hydroxy-3-(4-methoxyphenyl)chromen-4-one, Formononetin, 7-Hydroxy-3-(4-methoxyphenyl)chromone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280378 CH$LINK: INCHIKEY HKQYGTCOTHHOMP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002586; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; O-methylated isoflavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068007.txt index 1f3022a0eaf..269a969ba68 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS068007 -RECORD_TITLE: Formononetol, Neochanin, Formononectin, 7-Hydroxy-4'-Methoxyisoflavone, 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone, Biochanin B, 7-Hydroxy-3-(4-methoxyphenyl)chromen-4-one, Formononetin, 7-Hydroxy-3-(4-methoxyphenyl)chromone; LC-ESI-QQ; MS2 +RECORD_TITLE: Formononetol, Neochanin, Formononectin, 7-Hydroxy-4'-Methoxyisoflavone, 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone, Biochanin B, 7-Hydroxy-3-(4-methoxyphenyl)chromen-4-one, Formononetin, 7-Hydroxy-3-(4-methoxyphenyl)chromone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280378 CH$LINK: INCHIKEY HKQYGTCOTHHOMP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002586; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; O-methylated isoflavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068008.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068008.txt index a18f1b05661..80f36c9c75b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068008.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS068008 -RECORD_TITLE: Formononetol, Neochanin, Formononectin, 7-Hydroxy-4'-Methoxyisoflavone, 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone, Biochanin B, 7-Hydroxy-3-(4-methoxyphenyl)chromen-4-one, Formononetin, 7-Hydroxy-3-(4-methoxyphenyl)chromone; LC-ESI-QQ; MS2 +RECORD_TITLE: Formononetol, Neochanin, Formononectin, 7-Hydroxy-4'-Methoxyisoflavone, 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone, Biochanin B, 7-Hydroxy-3-(4-methoxyphenyl)chromen-4-one, Formononetin, 7-Hydroxy-3-(4-methoxyphenyl)chromone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280378 CH$LINK: INCHIKEY HKQYGTCOTHHOMP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002586; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; O-methylated isoflavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068009.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068009.txt index 6fbe0cc77a8..ce9bf39a322 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068009.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS068009 -RECORD_TITLE: Formononetol, Neochanin, Formononectin, 7-Hydroxy-4'-Methoxyisoflavone, 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone, Biochanin B, 7-Hydroxy-3-(4-methoxyphenyl)chromen-4-one, Formononetin, 7-Hydroxy-3-(4-methoxyphenyl)chromone; LC-ESI-QQ; MS2 +RECORD_TITLE: Formononetol, Neochanin, Formononectin, 7-Hydroxy-4'-Methoxyisoflavone, 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone, Biochanin B, 7-Hydroxy-3-(4-methoxyphenyl)chromen-4-one, Formononetin, 7-Hydroxy-3-(4-methoxyphenyl)chromone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280378 CH$LINK: INCHIKEY HKQYGTCOTHHOMP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002586; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; O-methylated isoflavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068010.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068010.txt index 4b38fbd31bd..a5743acb10d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068010.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068010.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS068010 -RECORD_TITLE: Formononetol, Neochanin, Formononectin, 7-Hydroxy-4'-Methoxyisoflavone, 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone, Biochanin B, 7-Hydroxy-3-(4-methoxyphenyl)chromen-4-one, Formononetin, 7-Hydroxy-3-(4-methoxyphenyl)chromone; LC-ESI-QQ; MS2 +RECORD_TITLE: Formononetol, Neochanin, Formononectin, 7-Hydroxy-4'-Methoxyisoflavone, 7-Hydroxy-3-(4-methoxyphenyl)-4-benzopyrone, Biochanin B, 7-Hydroxy-3-(4-methoxyphenyl)chromen-4-one, Formononetin, 7-Hydroxy-3-(4-methoxyphenyl)chromone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5280378 CH$LINK: INCHIKEY HKQYGTCOTHHOMP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002586; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; O-methylated isoflavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068207.txt index 176c43717d4..82a68a046be 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS068207 -RECORD_TITLE: 3-Carboxy-3-hydroxy-4-methylpentanoate, 3-Carboxy-3-hydroxyisocaproate, 2-Hydroxy-2-isopropylsuccinic acid, 3-Hydroxy-4-methyl-3-carboxypentanoate, 2-Isopropylmalic acid , 2-Isopropylmalate, 3-Carboxy-3-hydroxy-isocaproate, 2-Hydroxy-2-isopropylbutanedioate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Carboxy-3-hydroxy-4-methylpentanoate, 3-Carboxy-3-hydroxyisocaproate, 2-Hydroxy-2-isopropylsuccinic acid, 3-Hydroxy-4-methyl-3-carboxypentanoate, 2-Isopropylmalic acid , 2-Isopropylmalate, 3-Carboxy-3-hydroxy-isocaproate, 2-Hydroxy-2-isopropylbutanedioate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280523 CH$LINK: INCHIKEY BITYXLXUCSKTJS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068208.txt index 9c2609d9812..017aae54926 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS068208 -RECORD_TITLE: 3-Carboxy-3-hydroxy-4-methylpentanoate, 3-Carboxy-3-hydroxyisocaproate, 2-Hydroxy-2-isopropylsuccinic acid, 3-Hydroxy-4-methyl-3-carboxypentanoate, 2-Isopropylmalic acid , 2-Isopropylmalate, 3-Carboxy-3-hydroxy-isocaproate, 2-Hydroxy-2-isopropylbutanedioate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Carboxy-3-hydroxy-4-methylpentanoate, 3-Carboxy-3-hydroxyisocaproate, 2-Hydroxy-2-isopropylsuccinic acid, 3-Hydroxy-4-methyl-3-carboxypentanoate, 2-Isopropylmalic acid , 2-Isopropylmalate, 3-Carboxy-3-hydroxy-isocaproate, 2-Hydroxy-2-isopropylbutanedioate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280523 CH$LINK: INCHIKEY BITYXLXUCSKTJS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068301.txt index 41a0df2c514..29563f0ab22 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS068301 -RECORD_TITLE: S-Pyruvoylglutathione, S-Lactoylglutathione, S-Pyruvylglutathione; LC-ESI-QQ; MS2 +RECORD_TITLE: S-Pyruvoylglutathione, S-Lactoylglutathione, S-Pyruvylglutathione; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:440018 CH$LINK: INCHIKEY VDYDCVUWILIYQF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068302.txt index a914d653931..82289a47aee 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS068302 -RECORD_TITLE: S-Pyruvoylglutathione, S-Lactoylglutathione, S-Pyruvylglutathione; LC-ESI-QQ; MS2 +RECORD_TITLE: S-Pyruvoylglutathione, S-Lactoylglutathione, S-Pyruvylglutathione; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:440018 CH$LINK: INCHIKEY VDYDCVUWILIYQF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068303.txt index e29c6754d3f..e2aac80ed97 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS068303 -RECORD_TITLE: S-Pyruvoylglutathione, S-Lactoylglutathione, S-Pyruvylglutathione; LC-ESI-QQ; MS2 +RECORD_TITLE: S-Pyruvoylglutathione, S-Lactoylglutathione, S-Pyruvylglutathione; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:440018 CH$LINK: INCHIKEY VDYDCVUWILIYQF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068305.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068305.txt index f4aace91f76..1b87aedb8ef 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068305.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS068305 -RECORD_TITLE: S-Pyruvoylglutathione, S-Lactoylglutathione, S-Pyruvylglutathione; LC-ESI-QQ; MS2 +RECORD_TITLE: S-Pyruvoylglutathione, S-Lactoylglutathione, S-Pyruvylglutathione; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:440018 CH$LINK: INCHIKEY VDYDCVUWILIYQF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068306.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068306.txt index dc6ba23c0ef..366baa767b6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068306.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068306.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS068306 -RECORD_TITLE: S-Pyruvoylglutathione, S-Lactoylglutathione, S-Pyruvylglutathione; LC-ESI-QQ; MS2 +RECORD_TITLE: S-Pyruvoylglutathione, S-Lactoylglutathione, S-Pyruvylglutathione; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:440018 CH$LINK: INCHIKEY VDYDCVUWILIYQF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068507.txt index d179b0b5587..7d1b7272380 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS068507 -RECORD_TITLE: (R)-2-Hydroxypropionic acid, D(-)-Lactate, D-Milk Acid, D-2-Hydroxypropanoic Acid, D-(-)-Lactic acid ; LC-ESI-QQ; MS2 +RECORD_TITLE: (R)-2-Hydroxypropionic acid, D(-)-Lactate, D-Milk Acid, D-2-Hydroxypropanoic Acid, D-(-)-Lactic acid ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:61503 CH$LINK: INCHIKEY JVTAAEKCZFNVCJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001359; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Alpha hydroxy acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068607.txt index 687836ed46b..285790aecf8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS068607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS068607 -RECORD_TITLE: 3-Methyl-2-oxobutyric acid, 3-Methyl-2-oxobutyric acid sodium salt, alpha-Ketoisovaleric acid, 3-Methyl-2-oxobutanoic acid, 3-methyl-2-oxobutyrate, 2-ketoisovalerate, 2-Oxo-3-methylbutanoate, 2-Keto-3-methylbutyric acid, Ketovaline, 2-Oxoisopentanoate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Methyl-2-oxobutyric acid, 3-Methyl-2-oxobutyric acid sodium salt, alpha-Ketoisovaleric acid, 3-Methyl-2-oxobutanoic acid, 3-methyl-2-oxobutyrate, 2-ketoisovalerate, 2-Oxo-3-methylbutanoate, 2-Keto-3-methylbutyric acid, Ketovaline, 2-Oxoisopentanoate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:49 CH$LINK: INCHIKEY QHKABHOOEWYVLI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069005.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069005.txt index b287a7a6851..a3371343e6c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069005.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS069005 -RECORD_TITLE: D-Ribulose-1,5-bisphosphate, D-Ribulose 1,5-diphosphate barium salt hydrate, D-Ribulose-1,5-P2; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Ribulose-1,5-bisphosphate, D-Ribulose 1,5-diphosphate barium salt hydrate, D-Ribulose-1,5-P2; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:1192 CH$LINK: INCHIKEY YAHZABJORDUQGO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069301.txt index d8bbbf96a90..29a65c3a85b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS069301 -RECORD_TITLE: 3,10-Dimethoxy-13a-alpha-berbine-2,9-diol, discretamine, 2,9-Dioxy-3,10-dimethoxyberbine, Aequaline, Scoulerin, Scoulerine; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,10-Dimethoxy-13a-alpha-berbine-2,9-diol, discretamine, 2,9-Dioxy-3,10-dimethoxyberbine, Aequaline, Scoulerin, Scoulerine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439654 CH$LINK: INCHIKEY KNWVMRVOBAFFMH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001909; Organic compounds; Alkaloids and derivatives; Protoberberine alkaloids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069302.txt index 8fd328033d7..f96eeef2b6f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS069302 -RECORD_TITLE: 3,10-Dimethoxy-13a-alpha-berbine-2,9-diol, discretamine, 2,9-Dioxy-3,10-dimethoxyberbine, Aequaline, Scoulerin, Scoulerine; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,10-Dimethoxy-13a-alpha-berbine-2,9-diol, discretamine, 2,9-Dioxy-3,10-dimethoxyberbine, Aequaline, Scoulerin, Scoulerine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439654 CH$LINK: INCHIKEY KNWVMRVOBAFFMH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001909; Organic compounds; Alkaloids and derivatives; Protoberberine alkaloids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069303.txt index effda5ee5eb..4b3cb030ead 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS069303 -RECORD_TITLE: 3,10-Dimethoxy-13a-alpha-berbine-2,9-diol, discretamine, 2,9-Dioxy-3,10-dimethoxyberbine, Aequaline, Scoulerin, Scoulerine; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,10-Dimethoxy-13a-alpha-berbine-2,9-diol, discretamine, 2,9-Dioxy-3,10-dimethoxyberbine, Aequaline, Scoulerin, Scoulerine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439654 CH$LINK: INCHIKEY KNWVMRVOBAFFMH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001909; Organic compounds; Alkaloids and derivatives; Protoberberine alkaloids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069304.txt index 6aecc4a5c78..10020a6c0ec 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS069304 -RECORD_TITLE: 3,10-Dimethoxy-13a-alpha-berbine-2,9-diol, discretamine, 2,9-Dioxy-3,10-dimethoxyberbine, Aequaline, Scoulerin, Scoulerine; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,10-Dimethoxy-13a-alpha-berbine-2,9-diol, discretamine, 2,9-Dioxy-3,10-dimethoxyberbine, Aequaline, Scoulerin, Scoulerine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439654 CH$LINK: INCHIKEY KNWVMRVOBAFFMH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001909; Organic compounds; Alkaloids and derivatives; Protoberberine alkaloids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069305.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069305.txt index 82032d8965e..5bca422c4d0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069305.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS069305 -RECORD_TITLE: 3,10-Dimethoxy-13a-alpha-berbine-2,9-diol, discretamine, 2,9-Dioxy-3,10-dimethoxyberbine, Aequaline, Scoulerin, Scoulerine; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,10-Dimethoxy-13a-alpha-berbine-2,9-diol, discretamine, 2,9-Dioxy-3,10-dimethoxyberbine, Aequaline, Scoulerin, Scoulerine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439654 CH$LINK: INCHIKEY KNWVMRVOBAFFMH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001909; Organic compounds; Alkaloids and derivatives; Protoberberine alkaloids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069306.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069306.txt index 98baed3ea17..5e6497e29e8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069306.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069306.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS069306 -RECORD_TITLE: 3,10-Dimethoxy-13a-alpha-berbine-2,9-diol, discretamine, 2,9-Dioxy-3,10-dimethoxyberbine, Aequaline, Scoulerin, Scoulerine; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,10-Dimethoxy-13a-alpha-berbine-2,9-diol, discretamine, 2,9-Dioxy-3,10-dimethoxyberbine, Aequaline, Scoulerin, Scoulerine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439654 CH$LINK: INCHIKEY KNWVMRVOBAFFMH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001909; Organic compounds; Alkaloids and derivatives; Protoberberine alkaloids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069501.txt index 72a2f4465f4..b3a3849f6e9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS069501 -RECORD_TITLE: L-allo-threonine, L-Allothreonine, allo-Thr, (2S,3S)-2-Amino-3-hydroxybutyric Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-allo-threonine, L-Allothreonine, allo-Thr, (2S,3S)-2-Amino-3-hydroxybutyric Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:99289 CH$LINK: INCHIKEY AYFVYJQAPQTCCC-HRFVKAFMSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069502.txt index b35b8fb28f5..a96d2367d91 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS069502 -RECORD_TITLE: L-allo-threonine, L-Allothreonine, allo-Thr, (2S,3S)-2-Amino-3-hydroxybutyric Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-allo-threonine, L-Allothreonine, allo-Thr, (2S,3S)-2-Amino-3-hydroxybutyric Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:99289 CH$LINK: INCHIKEY AYFVYJQAPQTCCC-HRFVKAFMSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069503.txt index d5f183fa062..f223319e623 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS069503 -RECORD_TITLE: L-allo-threonine, L-Allothreonine, allo-Thr, (2S,3S)-2-Amino-3-hydroxybutyric Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-allo-threonine, L-Allothreonine, allo-Thr, (2S,3S)-2-Amino-3-hydroxybutyric Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:99289 CH$LINK: INCHIKEY AYFVYJQAPQTCCC-HRFVKAFMSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069601.txt index ffe0c977919..113921ed368 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS069601 -RECORD_TITLE: Distylin, Catechin hydrate, (+)-Dihydroquercetin, (+-)-Taxifolin, (2R,3R)-3,3',4',5,7-Pentahydroxyflavanone, Taxifoliol; LC-ESI-QQ; MS2 +RECORD_TITLE: Distylin, Catechin hydrate, (+)-Dihydroquercetin, (+-)-Taxifolin, (2R,3R)-3,3',4',5,7-Pentahydroxyflavanone, Taxifoliol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439533 CH$LINK: INCHIKEY CXQWRCVTCMQVQX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069607.txt index b7f193dc015..36fefe37195 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS069607 -RECORD_TITLE: Distylin, Catechin hydrate, (+)-Dihydroquercetin, (+-)-Taxifolin, (2R,3R)-3,3',4',5,7-Pentahydroxyflavanone, Taxifoliol; LC-ESI-QQ; MS2 +RECORD_TITLE: Distylin, Catechin hydrate, (+)-Dihydroquercetin, (+-)-Taxifolin, (2R,3R)-3,3',4',5,7-Pentahydroxyflavanone, Taxifoliol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439533 CH$LINK: INCHIKEY CXQWRCVTCMQVQX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069608.txt index 2440a5358eb..f7bf629e19c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS069608 -RECORD_TITLE: Distylin, Catechin hydrate, (+)-Dihydroquercetin, (+-)-Taxifolin, (2R,3R)-3,3',4',5,7-Pentahydroxyflavanone, Taxifoliol; LC-ESI-QQ; MS2 +RECORD_TITLE: Distylin, Catechin hydrate, (+)-Dihydroquercetin, (+-)-Taxifolin, (2R,3R)-3,3',4',5,7-Pentahydroxyflavanone, Taxifoliol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439533 CH$LINK: INCHIKEY CXQWRCVTCMQVQX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069609.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069609.txt index 7ac253ed1fa..0bab2e79b21 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069609.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069609.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS069609 -RECORD_TITLE: Distylin, Catechin hydrate, (+)-Dihydroquercetin, (+-)-Taxifolin, (2R,3R)-3,3',4',5,7-Pentahydroxyflavanone, Taxifoliol; LC-ESI-QQ; MS2 +RECORD_TITLE: Distylin, Catechin hydrate, (+)-Dihydroquercetin, (+-)-Taxifolin, (2R,3R)-3,3',4',5,7-Pentahydroxyflavanone, Taxifoliol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439533 CH$LINK: INCHIKEY CXQWRCVTCMQVQX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069701.txt index 83351f6e52e..12c31e28262 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS069701 -RECORD_TITLE: Vitamin E(gamma), (+)-gamma-Tocopherol, 7,8-Dimethyltocol, (R,R,R)-gamma-Tocopherol; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin E(gamma), (+)-gamma-Tocopherol, 7,8-Dimethyltocol, (R,R,R)-gamma-Tocopherol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:92729 CH$LINK: INCHIKEY QUEDXNHFTDJVIY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069702.txt index b4d2a3cbb69..89f67b25511 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS069702 -RECORD_TITLE: Vitamin E(gamma), (+)-gamma-Tocopherol, 7,8-Dimethyltocol, (R,R,R)-gamma-Tocopherol; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin E(gamma), (+)-gamma-Tocopherol, 7,8-Dimethyltocol, (R,R,R)-gamma-Tocopherol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:92729 CH$LINK: INCHIKEY QUEDXNHFTDJVIY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069703.txt index 9741bb8126c..aef83c1d3ca 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS069703 -RECORD_TITLE: Vitamin E(gamma), (+)-gamma-Tocopherol, 7,8-Dimethyltocol, (R,R,R)-gamma-Tocopherol; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin E(gamma), (+)-gamma-Tocopherol, 7,8-Dimethyltocol, (R,R,R)-gamma-Tocopherol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:92729 CH$LINK: INCHIKEY QUEDXNHFTDJVIY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069704.txt index 1d37eea6f58..d76af6ab86c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS069704 -RECORD_TITLE: Vitamin E(gamma), (+)-gamma-Tocopherol, 7,8-Dimethyltocol, (R,R,R)-gamma-Tocopherol; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin E(gamma), (+)-gamma-Tocopherol, 7,8-Dimethyltocol, (R,R,R)-gamma-Tocopherol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:92729 CH$LINK: INCHIKEY QUEDXNHFTDJVIY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069705.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069705.txt index 5331068f49a..c618e7cc506 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069705.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS069705 -RECORD_TITLE: Vitamin E(gamma), (+)-gamma-Tocopherol, 7,8-Dimethyltocol, (R,R,R)-gamma-Tocopherol; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin E(gamma), (+)-gamma-Tocopherol, 7,8-Dimethyltocol, (R,R,R)-gamma-Tocopherol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:92729 CH$LINK: INCHIKEY QUEDXNHFTDJVIY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069806.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069806.txt index d8a3a1ef5bd..6ef114b44b3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069806.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069806.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS069806 -RECORD_TITLE: Lignoceric Acid, Carboxylic Acid C24, Tetracosaoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Lignoceric Acid, Carboxylic Acid C24, Tetracosaoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:11197 CH$LINK: INCHIKEY QZZGJDVWLFXDLK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069807.txt index d5aa897a987..116bb54f0cf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS069807 -RECORD_TITLE: Lignoceric Acid, Carboxylic Acid C24, Tetracosaoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Lignoceric Acid, Carboxylic Acid C24, Tetracosaoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:11197 CH$LINK: INCHIKEY QZZGJDVWLFXDLK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069903.txt index eba94c8f2c3..9c65b29623d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS069903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS069903 -RECORD_TITLE: Deoxy-UDP, dUDP, 2'-Deoxy-Uridine-5'-Diphosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: Deoxy-UDP, dUDP, 2'-Deoxy-Uridine-5'-Diphosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:145729 CH$LINK: INCHIKEY QHWZTVCCBMIIKE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002148; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine deoxyribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070001.txt index ddd58ebfc39..8b1f6a5ba7c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS070001 -RECORD_TITLE: 6-(4-Hydroxy-3-methyl-cis-2-butenylamino)purine, (Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol, (Z)-2-Methyl-4-(1H-purin-6-ylamino)-2-buten-1-ol, ZEZ, N6-(4-Hydroxyisopentenyl)adenine, cis-Zeatin; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-(4-Hydroxy-3-methyl-cis-2-butenylamino)purine, (Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol, (Z)-2-Methyl-4-(1H-purin-6-ylamino)-2-buten-1-ol, ZEZ, N6-(4-Hydroxyisopentenyl)adenine, cis-Zeatin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:688597 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070002.txt index df935f53823..55ad8405584 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS070002 -RECORD_TITLE: 6-(4-Hydroxy-3-methyl-cis-2-butenylamino)purine, (Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol, (Z)-2-Methyl-4-(1H-purin-6-ylamino)-2-buten-1-ol, ZEZ, N6-(4-Hydroxyisopentenyl)adenine, cis-Zeatin; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-(4-Hydroxy-3-methyl-cis-2-butenylamino)purine, (Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol, (Z)-2-Methyl-4-(1H-purin-6-ylamino)-2-buten-1-ol, ZEZ, N6-(4-Hydroxyisopentenyl)adenine, cis-Zeatin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:688597 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070003.txt index bd4d4829a5e..509c7335146 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS070003 -RECORD_TITLE: 6-(4-Hydroxy-3-methyl-cis-2-butenylamino)purine, (Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol, (Z)-2-Methyl-4-(1H-purin-6-ylamino)-2-buten-1-ol, ZEZ, N6-(4-Hydroxyisopentenyl)adenine, cis-Zeatin; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-(4-Hydroxy-3-methyl-cis-2-butenylamino)purine, (Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol, (Z)-2-Methyl-4-(1H-purin-6-ylamino)-2-buten-1-ol, ZEZ, N6-(4-Hydroxyisopentenyl)adenine, cis-Zeatin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:688597 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070004.txt index c3181e08529..48d9f9fc766 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS070004 -RECORD_TITLE: 6-(4-Hydroxy-3-methyl-cis-2-butenylamino)purine, (Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol, (Z)-2-Methyl-4-(1H-purin-6-ylamino)-2-buten-1-ol, ZEZ, N6-(4-Hydroxyisopentenyl)adenine, cis-Zeatin; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-(4-Hydroxy-3-methyl-cis-2-butenylamino)purine, (Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol, (Z)-2-Methyl-4-(1H-purin-6-ylamino)-2-buten-1-ol, ZEZ, N6-(4-Hydroxyisopentenyl)adenine, cis-Zeatin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:688597 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070005.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070005.txt index bb592335e7a..ee988d2eb2c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070005.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS070005 -RECORD_TITLE: 6-(4-Hydroxy-3-methyl-cis-2-butenylamino)purine, (Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol, (Z)-2-Methyl-4-(1H-purin-6-ylamino)-2-buten-1-ol, ZEZ, N6-(4-Hydroxyisopentenyl)adenine, cis-Zeatin; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-(4-Hydroxy-3-methyl-cis-2-butenylamino)purine, (Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol, (Z)-2-Methyl-4-(1H-purin-6-ylamino)-2-buten-1-ol, ZEZ, N6-(4-Hydroxyisopentenyl)adenine, cis-Zeatin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:688597 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070007.txt index 87133dff539..2712b13d843 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS070007 -RECORD_TITLE: 6-(4-Hydroxy-3-methyl-cis-2-butenylamino)purine, (Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol, (Z)-2-Methyl-4-(1H-purin-6-ylamino)-2-buten-1-ol, ZEZ, N6-(4-Hydroxyisopentenyl)adenine, cis-Zeatin; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-(4-Hydroxy-3-methyl-cis-2-butenylamino)purine, (Z)-2-Methyl-4-(1H-purin-6-ylamino)but-2-en-1-ol, (Z)-2-Methyl-4-(1H-purin-6-ylamino)-2-buten-1-ol, ZEZ, N6-(4-Hydroxyisopentenyl)adenine, cis-Zeatin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:688597 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070101.txt index 1c42ca2386c..e0c095d67f9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS070101 -RECORD_TITLE: Jasmonic acid methyl ester, 3-Oxo-2-(2-pentenyl)cyclopentaneacetic Acid Methyl Ester, Zeppin, Methyl 3-oxo-2-(2-pentenyl)cyclopentaneacetate, JA-Me, Methyl Jasmonate; LC-ESI-QQ; MS2 +RECORD_TITLE: Jasmonic acid methyl ester, 3-Oxo-2-(2-pentenyl)cyclopentaneacetic Acid Methyl Ester, Zeppin, Methyl 3-oxo-2-(2-pentenyl)cyclopentaneacetate, JA-Me, Methyl Jasmonate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281929 CH$LINK: INCHIKEY GEWDNTWNSAZUDX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000504; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070102.txt index 069f74012d7..500a0cf2899 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS070102 -RECORD_TITLE: Jasmonic acid methyl ester, 3-Oxo-2-(2-pentenyl)cyclopentaneacetic Acid Methyl Ester, Zeppin, Methyl 3-oxo-2-(2-pentenyl)cyclopentaneacetate, JA-Me, Methyl Jasmonate; LC-ESI-QQ; MS2 +RECORD_TITLE: Jasmonic acid methyl ester, 3-Oxo-2-(2-pentenyl)cyclopentaneacetic Acid Methyl Ester, Zeppin, Methyl 3-oxo-2-(2-pentenyl)cyclopentaneacetate, JA-Me, Methyl Jasmonate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281929 CH$LINK: INCHIKEY GEWDNTWNSAZUDX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000504; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070103.txt index 91809bab9b7..f41ce285fdb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS070103 -RECORD_TITLE: Jasmonic acid methyl ester, 3-Oxo-2-(2-pentenyl)cyclopentaneacetic Acid Methyl Ester, Zeppin, Methyl 3-oxo-2-(2-pentenyl)cyclopentaneacetate, JA-Me, Methyl Jasmonate; LC-ESI-QQ; MS2 +RECORD_TITLE: Jasmonic acid methyl ester, 3-Oxo-2-(2-pentenyl)cyclopentaneacetic Acid Methyl Ester, Zeppin, Methyl 3-oxo-2-(2-pentenyl)cyclopentaneacetate, JA-Me, Methyl Jasmonate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281929 CH$LINK: INCHIKEY GEWDNTWNSAZUDX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000504; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070401.txt index 17c48e66857..66e2a767c47 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS070401 -RECORD_TITLE: Disodium 4-nitrophenyl phosphate hexahydrate, 4-Nitrophenyl phosphate disodium salt hexahydrate, pNPP disodium hexahydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Disodium 4-nitrophenyl phosphate hexahydrate, 4-Nitrophenyl phosphate disodium salt hexahydrate, pNPP disodium hexahydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:378 CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070402.txt index 375237cc8cf..3855d152681 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS070402 -RECORD_TITLE: Disodium 4-nitrophenyl phosphate hexahydrate, 4-Nitrophenyl phosphate disodium salt hexahydrate, pNPP disodium hexahydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Disodium 4-nitrophenyl phosphate hexahydrate, 4-Nitrophenyl phosphate disodium salt hexahydrate, pNPP disodium hexahydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:378 CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070403.txt index 06b2b043f5e..02bfc4d6704 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS070403 -RECORD_TITLE: Disodium 4-nitrophenyl phosphate hexahydrate, 4-Nitrophenyl phosphate disodium salt hexahydrate, pNPP disodium hexahydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Disodium 4-nitrophenyl phosphate hexahydrate, 4-Nitrophenyl phosphate disodium salt hexahydrate, pNPP disodium hexahydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:378 CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070404.txt index 9beed516ee6..f607c380cf8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS070404 -RECORD_TITLE: Disodium 4-nitrophenyl phosphate hexahydrate, 4-Nitrophenyl phosphate disodium salt hexahydrate, pNPP disodium hexahydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Disodium 4-nitrophenyl phosphate hexahydrate, 4-Nitrophenyl phosphate disodium salt hexahydrate, pNPP disodium hexahydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:378 CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070407.txt index 7c66d86c282..78dc7a24881 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS070407 -RECORD_TITLE: Disodium 4-nitrophenyl phosphate hexahydrate, 4-Nitrophenyl phosphate disodium salt hexahydrate, pNPP disodium hexahydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Disodium 4-nitrophenyl phosphate hexahydrate, 4-Nitrophenyl phosphate disodium salt hexahydrate, pNPP disodium hexahydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:378 CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070408.txt index 83a05dfbbec..831f02bd5f0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS070408 -RECORD_TITLE: Disodium 4-nitrophenyl phosphate hexahydrate, 4-Nitrophenyl phosphate disodium salt hexahydrate, pNPP disodium hexahydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Disodium 4-nitrophenyl phosphate hexahydrate, 4-Nitrophenyl phosphate disodium salt hexahydrate, pNPP disodium hexahydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:378 CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070409.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070409.txt index 7672a8aa208..025bb046831 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070409.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS070409 -RECORD_TITLE: Disodium 4-nitrophenyl phosphate hexahydrate, 4-Nitrophenyl phosphate disodium salt hexahydrate, pNPP disodium hexahydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Disodium 4-nitrophenyl phosphate hexahydrate, 4-Nitrophenyl phosphate disodium salt hexahydrate, pNPP disodium hexahydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:378 CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070410.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070410.txt index e890721a196..b54da9d29f3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070410.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070410.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS070410 -RECORD_TITLE: Disodium 4-nitrophenyl phosphate hexahydrate, 4-Nitrophenyl phosphate disodium salt hexahydrate, pNPP disodium hexahydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Disodium 4-nitrophenyl phosphate hexahydrate, 4-Nitrophenyl phosphate disodium salt hexahydrate, pNPP disodium hexahydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:378 CH$LINK: INCHIKEY XZKIHKMTEMTJQX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070701.txt index 2205954b69d..d8390379091 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS070701 -RECORD_TITLE: Cereb, Reagin, Niticolin, Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Cytidine 5'-diphosphocholine, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin; LC-ESI-QQ; MS2 +RECORD_TITLE: Cereb, Reagin, Niticolin, Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Cytidine 5'-diphosphocholine, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -51,7 +51,7 @@ CH$LINK: PUBCHEM CID:13804 CH$LINK: INCHIKEY RZZPDXZPRHQOCG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070702.txt index 085c120f6c0..d9f324fb7c0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS070702 -RECORD_TITLE: Cereb, Reagin, Niticolin, Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Cytidine 5'-diphosphocholine, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin; LC-ESI-QQ; MS2 +RECORD_TITLE: Cereb, Reagin, Niticolin, Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Cytidine 5'-diphosphocholine, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -51,7 +51,7 @@ CH$LINK: PUBCHEM CID:13804 CH$LINK: INCHIKEY RZZPDXZPRHQOCG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070704.txt index 2b7c22eabc7..541d0b1d758 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS070704 -RECORD_TITLE: Cereb, Reagin, Niticolin, Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Cytidine 5'-diphosphocholine, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin; LC-ESI-QQ; MS2 +RECORD_TITLE: Cereb, Reagin, Niticolin, Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Cytidine 5'-diphosphocholine, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -51,7 +51,7 @@ CH$LINK: PUBCHEM CID:13804 CH$LINK: INCHIKEY RZZPDXZPRHQOCG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070705.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070705.txt index 8653af47b3d..d487cae9378 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070705.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS070705 -RECORD_TITLE: Cereb, Reagin, Niticolin, Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Cytidine 5'-diphosphocholine, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin; LC-ESI-QQ; MS2 +RECORD_TITLE: Cereb, Reagin, Niticolin, Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Cytidine 5'-diphosphocholine, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -51,7 +51,7 @@ CH$LINK: PUBCHEM CID:13804 CH$LINK: INCHIKEY RZZPDXZPRHQOCG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070706.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070706.txt index bf496853ec8..a80a4c7e217 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070706.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS070706.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS070706 -RECORD_TITLE: Cereb, Reagin, Niticolin, Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Cytidine 5'-diphosphocholine, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin; LC-ESI-QQ; MS2 +RECORD_TITLE: Cereb, Reagin, Niticolin, Rexort, Recofnan, Ensign, Sintoclar, Nicolin, Neucolis, Audes, Choline cytidine diphosphate, Cyscholin, Haocolin, Cytidine 5'-diphosphocholine, Citicoline, Citifar, Citidoline, Hornbest, Cytidindiphosphocholin, Cytidoline, Colite, Somazine, Recognan, Citicholine, CDPC, CDP-choline, Nicholin, Suncholin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -51,7 +51,7 @@ CH$LINK: PUBCHEM CID:13804 CH$LINK: INCHIKEY RZZPDXZPRHQOCG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071001.txt index ed9de46ae9f..4ac820b267a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071001 -RECORD_TITLE: 5'-CMP, Cytidine-5'-monophosphate monohydrate, cytidylate, CMP, C-5'-P, Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-CMP, Cytidine-5'-monophosphate monohydrate, cytidylate, CMP, C-5'-P, Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6131 CH$LINK: INCHIKEY IERHLVCPSMICTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071002.txt index edc302188f1..48c1803fe88 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071002 -RECORD_TITLE: 5'-CMP, Cytidine-5'-monophosphate monohydrate, cytidylate, CMP, C-5'-P, Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-CMP, Cytidine-5'-monophosphate monohydrate, cytidylate, CMP, C-5'-P, Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6131 CH$LINK: INCHIKEY IERHLVCPSMICTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071003.txt index c8e04c82c33..67ab6aab400 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071003 -RECORD_TITLE: 5'-CMP, Cytidine-5'-monophosphate monohydrate, cytidylate, CMP, C-5'-P, Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-CMP, Cytidine-5'-monophosphate monohydrate, cytidylate, CMP, C-5'-P, Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6131 CH$LINK: INCHIKEY IERHLVCPSMICTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071004.txt index 147396bd8c6..ce21c700dc8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071004 -RECORD_TITLE: 5'-CMP, Cytidine-5'-monophosphate monohydrate, cytidylate, CMP, C-5'-P, Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-CMP, Cytidine-5'-monophosphate monohydrate, cytidylate, CMP, C-5'-P, Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6131 CH$LINK: INCHIKEY IERHLVCPSMICTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071005.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071005.txt index f667bc73d29..4f9f3d9d88c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071005.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071005 -RECORD_TITLE: 5'-CMP, Cytidine-5'-monophosphate monohydrate, cytidylate, CMP, C-5'-P, Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-CMP, Cytidine-5'-monophosphate monohydrate, cytidylate, CMP, C-5'-P, Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6131 CH$LINK: INCHIKEY IERHLVCPSMICTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071006.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071006.txt index 4b328511bb8..e1f6655083c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071006.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071006.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071006 -RECORD_TITLE: 5'-CMP, Cytidine-5'-monophosphate monohydrate, cytidylate, CMP, C-5'-P, Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-CMP, Cytidine-5'-monophosphate monohydrate, cytidylate, CMP, C-5'-P, Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6131 CH$LINK: INCHIKEY IERHLVCPSMICTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071007.txt index 063219a21bf..82e593ef864 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071007 -RECORD_TITLE: 5'-CMP, Cytidine-5'-monophosphate monohydrate, cytidylate, CMP, C-5'-P, Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-CMP, Cytidine-5'-monophosphate monohydrate, cytidylate, CMP, C-5'-P, Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6131 CH$LINK: INCHIKEY IERHLVCPSMICTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071008.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071008.txt index 59e395f9294..6b754abc46d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071008.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071008 -RECORD_TITLE: 5'-CMP, Cytidine-5'-monophosphate monohydrate, cytidylate, CMP, C-5'-P, Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-CMP, Cytidine-5'-monophosphate monohydrate, cytidylate, CMP, C-5'-P, Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6131 CH$LINK: INCHIKEY IERHLVCPSMICTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071009.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071009.txt index fe710cb1d83..12a65d895e5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071009.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071009 -RECORD_TITLE: 5'-CMP, Cytidine-5'-monophosphate monohydrate, cytidylate, CMP, C-5'-P, Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-CMP, Cytidine-5'-monophosphate monohydrate, cytidylate, CMP, C-5'-P, Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6131 CH$LINK: INCHIKEY IERHLVCPSMICTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071010.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071010.txt index 4d963dfb2ec..1d5c5015263 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071010.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071010.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071010 -RECORD_TITLE: 5'-CMP, Cytidine-5'-monophosphate monohydrate, cytidylate, CMP, C-5'-P, Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-CMP, Cytidine-5'-monophosphate monohydrate, cytidylate, CMP, C-5'-P, Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6131 CH$LINK: INCHIKEY IERHLVCPSMICTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071011.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071011.txt index fc9ce48d927..c3b1da4b727 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071011.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071011.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071011 -RECORD_TITLE: 5'-CMP, Cytidine-5'-monophosphate monohydrate, cytidylate, CMP, C-5'-P, Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-CMP, Cytidine-5'-monophosphate monohydrate, cytidylate, CMP, C-5'-P, Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6131 CH$LINK: INCHIKEY IERHLVCPSMICTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071012.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071012.txt index ddc7b3561df..846a5a33a90 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071012.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071012.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071012 -RECORD_TITLE: 5'-CMP, Cytidine-5'-monophosphate monohydrate, cytidylate, CMP, C-5'-P, Cytidylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5'-CMP, Cytidine-5'-monophosphate monohydrate, cytidylate, CMP, C-5'-P, Cytidylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6131 CH$LINK: INCHIKEY IERHLVCPSMICTF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002147; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071101.txt index dbd0eac6148..a60c671fc52 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071101 -RECORD_TITLE: Coenzyme A, CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: Coenzyme A, CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6816 CH$LINK: INCHIKEY RGJOEKWQDUBAIZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071102.txt index db5ab8b45d4..fe50efaea61 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071102 -RECORD_TITLE: Coenzyme A, CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: Coenzyme A, CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6816 CH$LINK: INCHIKEY RGJOEKWQDUBAIZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071103.txt index 9e04385fee1..b5dd498a7da 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071103 -RECORD_TITLE: Coenzyme A, CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: Coenzyme A, CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6816 CH$LINK: INCHIKEY RGJOEKWQDUBAIZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071104.txt index 0d8936894c3..4effadad238 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071104 -RECORD_TITLE: Coenzyme A, CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: Coenzyme A, CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6816 CH$LINK: INCHIKEY RGJOEKWQDUBAIZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071105.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071105.txt index fc8523fc1b9..eab9798c5ec 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071105.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071105 -RECORD_TITLE: Coenzyme A, CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: Coenzyme A, CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6816 CH$LINK: INCHIKEY RGJOEKWQDUBAIZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071106.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071106.txt index 40994876325..a571eec6456 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071106.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071106 -RECORD_TITLE: Coenzyme A, CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: Coenzyme A, CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6816 CH$LINK: INCHIKEY RGJOEKWQDUBAIZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071107.txt index 04f437783a4..2ffc6d1948b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071107 -RECORD_TITLE: Coenzyme A, CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: Coenzyme A, CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6816 CH$LINK: INCHIKEY RGJOEKWQDUBAIZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071108.txt index e058cfb5dd2..1a383e4a73c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071108 -RECORD_TITLE: Coenzyme A, CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: Coenzyme A, CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6816 CH$LINK: INCHIKEY RGJOEKWQDUBAIZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071109.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071109.txt index 8db790f9265..5259eacd567 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071109.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071109 -RECORD_TITLE: Coenzyme A, CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: Coenzyme A, CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6816 CH$LINK: INCHIKEY RGJOEKWQDUBAIZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071110.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071110.txt index 29b37038197..d820e12bb33 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071110.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071110.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071110 -RECORD_TITLE: Coenzyme A, CoA; LC-ESI-QQ; MS2 +RECORD_TITLE: Coenzyme A, CoA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6816 CH$LINK: INCHIKEY RGJOEKWQDUBAIZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071201.txt index cdb3ab291f7..b07d629f14a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071201 -RECORD_TITLE: Uromitexan, MESNA, HS-CoM, 2-Mercaptoethanesulfonic acid, Mitexan, 2-Mercaptoethansulfonate, Coenzyme M, Mesnex, 2-Mercaptoethanesulfonic acid solution; LC-ESI-QQ; MS2 +RECORD_TITLE: Uromitexan, MESNA, HS-CoM, 2-Mercaptoethanesulfonic acid, Mitexan, 2-Mercaptoethansulfonate, Coenzyme M, Mesnex, 2-Mercaptoethanesulfonic acid solution; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:598 CH$LINK: INCHIKEY ZNEWHQLOPFWXOF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071202.txt index 89f67d49664..91d3ec24c7a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071202 -RECORD_TITLE: Uromitexan, MESNA, HS-CoM, 2-Mercaptoethanesulfonic acid, Mitexan, 2-Mercaptoethansulfonate, Coenzyme M, Mesnex, 2-Mercaptoethanesulfonic acid solution; LC-ESI-QQ; MS2 +RECORD_TITLE: Uromitexan, MESNA, HS-CoM, 2-Mercaptoethanesulfonic acid, Mitexan, 2-Mercaptoethansulfonate, Coenzyme M, Mesnex, 2-Mercaptoethanesulfonic acid solution; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:598 CH$LINK: INCHIKEY ZNEWHQLOPFWXOF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071203.txt index 0eb2fc0d089..201ecf0e9be 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071203 -RECORD_TITLE: Uromitexan, MESNA, HS-CoM, 2-Mercaptoethanesulfonic acid, Mitexan, 2-Mercaptoethansulfonate, Coenzyme M, Mesnex, 2-Mercaptoethanesulfonic acid solution; LC-ESI-QQ; MS2 +RECORD_TITLE: Uromitexan, MESNA, HS-CoM, 2-Mercaptoethanesulfonic acid, Mitexan, 2-Mercaptoethansulfonate, Coenzyme M, Mesnex, 2-Mercaptoethanesulfonic acid solution; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:598 CH$LINK: INCHIKEY ZNEWHQLOPFWXOF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071207.txt index 0868131ecc2..70e3d460939 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071207 -RECORD_TITLE: Uromitexan, MESNA, HS-CoM, 2-Mercaptoethanesulfonic acid, Mitexan, 2-Mercaptoethansulfonate, Coenzyme M, Mesnex, 2-Mercaptoethanesulfonic acid solution; LC-ESI-QQ; MS2 +RECORD_TITLE: Uromitexan, MESNA, HS-CoM, 2-Mercaptoethanesulfonic acid, Mitexan, 2-Mercaptoethansulfonate, Coenzyme M, Mesnex, 2-Mercaptoethanesulfonic acid solution; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:598 CH$LINK: INCHIKEY ZNEWHQLOPFWXOF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071208.txt index 4e1df3ce32d..13a5d26357e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071208 -RECORD_TITLE: Uromitexan, MESNA, HS-CoM, 2-Mercaptoethanesulfonic acid, Mitexan, 2-Mercaptoethansulfonate, Coenzyme M, Mesnex, 2-Mercaptoethanesulfonic acid solution; LC-ESI-QQ; MS2 +RECORD_TITLE: Uromitexan, MESNA, HS-CoM, 2-Mercaptoethanesulfonic acid, Mitexan, 2-Mercaptoethansulfonate, Coenzyme M, Mesnex, 2-Mercaptoethanesulfonic acid solution; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:598 CH$LINK: INCHIKEY ZNEWHQLOPFWXOF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071209.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071209.txt index 825f093f4bf..59284341f1d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071209.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071209 -RECORD_TITLE: Uromitexan, MESNA, HS-CoM, 2-Mercaptoethanesulfonic acid, Mitexan, 2-Mercaptoethansulfonate, Coenzyme M, Mesnex, 2-Mercaptoethanesulfonic acid solution; LC-ESI-QQ; MS2 +RECORD_TITLE: Uromitexan, MESNA, HS-CoM, 2-Mercaptoethanesulfonic acid, Mitexan, 2-Mercaptoethansulfonate, Coenzyme M, Mesnex, 2-Mercaptoethanesulfonic acid solution; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:598 CH$LINK: INCHIKEY ZNEWHQLOPFWXOF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000270; Organic compounds; Organic acids and derivatives; Organic sulfonic acids and derivatives; Organosulfonic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071401.txt index bc424bbe2ab..095f6d661cf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071401 -RECORD_TITLE: Guanosine monophosphate, 5'-GMP, G-5'-P, GMP, Guanosine-5'-monophosphate, Guanylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine monophosphate, 5'-GMP, G-5'-P, GMP, Guanosine-5'-monophosphate, Guanylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6804 CH$LINK: INCHIKEY RQFCJASXJCIDSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071402.txt index 837a89e2244..9ab977a9ee3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071402 -RECORD_TITLE: Guanosine monophosphate, 5'-GMP, G-5'-P, GMP, Guanosine-5'-monophosphate, Guanylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine monophosphate, 5'-GMP, G-5'-P, GMP, Guanosine-5'-monophosphate, Guanylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6804 CH$LINK: INCHIKEY RQFCJASXJCIDSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071403.txt index 8285823684b..d578dcba34a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071403 -RECORD_TITLE: Guanosine monophosphate, 5'-GMP, G-5'-P, GMP, Guanosine-5'-monophosphate, Guanylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine monophosphate, 5'-GMP, G-5'-P, GMP, Guanosine-5'-monophosphate, Guanylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6804 CH$LINK: INCHIKEY RQFCJASXJCIDSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071404.txt index 2eb4070c614..70476056471 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071404 -RECORD_TITLE: Guanosine monophosphate, 5'-GMP, G-5'-P, GMP, Guanosine-5'-monophosphate, Guanylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine monophosphate, 5'-GMP, G-5'-P, GMP, Guanosine-5'-monophosphate, Guanylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6804 CH$LINK: INCHIKEY RQFCJASXJCIDSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071405.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071405.txt index 9e7b71f22cf..3628e8b36dd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071405.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071405 -RECORD_TITLE: Guanosine monophosphate, 5'-GMP, G-5'-P, GMP, Guanosine-5'-monophosphate, Guanylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine monophosphate, 5'-GMP, G-5'-P, GMP, Guanosine-5'-monophosphate, Guanylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6804 CH$LINK: INCHIKEY RQFCJASXJCIDSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071406.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071406.txt index d00e3b4ebb6..7180b52e5ac 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071406.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071406.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071406 -RECORD_TITLE: Guanosine monophosphate, 5'-GMP, G-5'-P, GMP, Guanosine-5'-monophosphate, Guanylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine monophosphate, 5'-GMP, G-5'-P, GMP, Guanosine-5'-monophosphate, Guanylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6804 CH$LINK: INCHIKEY RQFCJASXJCIDSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071407.txt index eacccd4b5fb..92ee14914cd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071407 -RECORD_TITLE: Guanosine monophosphate, 5'-GMP, G-5'-P, GMP, Guanosine-5'-monophosphate, Guanylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine monophosphate, 5'-GMP, G-5'-P, GMP, Guanosine-5'-monophosphate, Guanylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6804 CH$LINK: INCHIKEY RQFCJASXJCIDSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071408.txt index cf7cdd406ea..7216ea2cc83 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071408 -RECORD_TITLE: Guanosine monophosphate, 5'-GMP, G-5'-P, GMP, Guanosine-5'-monophosphate, Guanylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine monophosphate, 5'-GMP, G-5'-P, GMP, Guanosine-5'-monophosphate, Guanylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6804 CH$LINK: INCHIKEY RQFCJASXJCIDSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071409.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071409.txt index fc06e02e5dc..9bd9822fa58 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071409.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071409 -RECORD_TITLE: Guanosine monophosphate, 5'-GMP, G-5'-P, GMP, Guanosine-5'-monophosphate, Guanylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine monophosphate, 5'-GMP, G-5'-P, GMP, Guanosine-5'-monophosphate, Guanylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6804 CH$LINK: INCHIKEY RQFCJASXJCIDSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071410.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071410.txt index d40fab646d8..263d34eed16 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071410.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071410.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071410 -RECORD_TITLE: Guanosine monophosphate, 5'-GMP, G-5'-P, GMP, Guanosine-5'-monophosphate, Guanylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine monophosphate, 5'-GMP, G-5'-P, GMP, Guanosine-5'-monophosphate, Guanylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6804 CH$LINK: INCHIKEY RQFCJASXJCIDSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071411.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071411.txt index bc5428962a7..07604e91923 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071411.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071411.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071411 -RECORD_TITLE: Guanosine monophosphate, 5'-GMP, G-5'-P, GMP, Guanosine-5'-monophosphate, Guanylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine monophosphate, 5'-GMP, G-5'-P, GMP, Guanosine-5'-monophosphate, Guanylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6804 CH$LINK: INCHIKEY RQFCJASXJCIDSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071412.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071412.txt index c41f9e92f0d..6594b1ab5c4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071412.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071412.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071412 -RECORD_TITLE: Guanosine monophosphate, 5'-GMP, G-5'-P, GMP, Guanosine-5'-monophosphate, Guanylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine monophosphate, 5'-GMP, G-5'-P, GMP, Guanosine-5'-monophosphate, Guanylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6804 CH$LINK: INCHIKEY RQFCJASXJCIDSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071502.txt index 40d4fdd968a..0926d5c52c2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071502 -RECORD_TITLE: Guanosine-5'-Triphosphate Disodium Salt, GTP, 5'-GTP; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanosine-5'-Triphosphate Disodium Salt, GTP, 5'-GTP; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:6830 CH$LINK: INCHIKEY XKMLYUALXHKNFT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071801.txt index da3a00fef5e..87b23b3245a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071801 -RECORD_TITLE: L-Histidine, Glyoxaline-5-alanine, L-alpha-Amino-beta-imidazolepropionic Acid, (S)-2-Amino-3-(4-imidazolyl)propionic acid, L-His; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Histidine, Glyoxaline-5-alanine, L-alpha-Amino-beta-imidazolepropionic Acid, (S)-2-Amino-3-(4-imidazolyl)propionic acid, L-His; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6274 CH$LINK: INCHIKEY HNDVDQJCIGZPNO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071802.txt index 79323522edf..fd3ee5009be 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071802 -RECORD_TITLE: L-Histidine, Glyoxaline-5-alanine, L-alpha-Amino-beta-imidazolepropionic Acid, (S)-2-Amino-3-(4-imidazolyl)propionic acid, L-His; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Histidine, Glyoxaline-5-alanine, L-alpha-Amino-beta-imidazolepropionic Acid, (S)-2-Amino-3-(4-imidazolyl)propionic acid, L-His; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6274 CH$LINK: INCHIKEY HNDVDQJCIGZPNO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071803.txt index f4690bf0879..e2ef625fa6c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071803 -RECORD_TITLE: L-Histidine, Glyoxaline-5-alanine, L-alpha-Amino-beta-imidazolepropionic Acid, (S)-2-Amino-3-(4-imidazolyl)propionic acid, L-His; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Histidine, Glyoxaline-5-alanine, L-alpha-Amino-beta-imidazolepropionic Acid, (S)-2-Amino-3-(4-imidazolyl)propionic acid, L-His; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6274 CH$LINK: INCHIKEY HNDVDQJCIGZPNO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071807.txt index 78ecfa20138..e90045c2ceb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071807 -RECORD_TITLE: L-Histidine, Glyoxaline-5-alanine, L-alpha-Amino-beta-imidazolepropionic Acid, (S)-2-Amino-3-(4-imidazolyl)propionic acid, L-His; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Histidine, Glyoxaline-5-alanine, L-alpha-Amino-beta-imidazolepropionic Acid, (S)-2-Amino-3-(4-imidazolyl)propionic acid, L-His; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6274 CH$LINK: INCHIKEY HNDVDQJCIGZPNO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071901.txt index 0d6bdc5b3ee..14ee1629f95 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071901 -RECORD_TITLE: Lysine acid, L-(+)-Lysine, Lys, 2,6-diaminohexanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Lysine acid, L-(+)-Lysine, Lys, 2,6-diaminohexanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5962 CH$LINK: INCHIKEY KDXKERNSBIXSRK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071902.txt index f4b00bc8dce..3c0f8732445 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071902 -RECORD_TITLE: Lysine acid, L-(+)-Lysine, Lys, 2,6-diaminohexanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Lysine acid, L-(+)-Lysine, Lys, 2,6-diaminohexanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5962 CH$LINK: INCHIKEY KDXKERNSBIXSRK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071903.txt index e33be265e88..27b250e544a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071903 -RECORD_TITLE: Lysine acid, L-(+)-Lysine, Lys, 2,6-diaminohexanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Lysine acid, L-(+)-Lysine, Lys, 2,6-diaminohexanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5962 CH$LINK: INCHIKEY KDXKERNSBIXSRK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071904.txt index f0aa09fc7ba..3e567e5830e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071904 -RECORD_TITLE: Lysine acid, L-(+)-Lysine, Lys, 2,6-diaminohexanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Lysine acid, L-(+)-Lysine, Lys, 2,6-diaminohexanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5962 CH$LINK: INCHIKEY KDXKERNSBIXSRK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071905.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071905.txt index 28c9ef46c15..497547a9c7f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071905.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS071905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS071905 -RECORD_TITLE: Lysine acid, L-(+)-Lysine, Lys, 2,6-diaminohexanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Lysine acid, L-(+)-Lysine, Lys, 2,6-diaminohexanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5962 CH$LINK: INCHIKEY KDXKERNSBIXSRK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072507.txt index d1424155cd4..cfdb6f5c902 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS072507 -RECORD_TITLE: UDP-glucose Disodium Salt, Uridine-5'-diphospho-glucose, UDP-glucose, UDPG, UDP-Glc, UDP-glucopyranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: UDP-glucose Disodium Salt, Uridine-5'-diphospho-glucose, UDP-glucose, UDPG, UDP-Glc, UDP-glucopyranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8629 CH$LINK: INCHIKEY HSCJRCZFDFQWRP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072508.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072508.txt index 70d5f4eac73..20c54e09d2b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072508.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS072508 -RECORD_TITLE: UDP-glucose Disodium Salt, Uridine-5'-diphospho-glucose, UDP-glucose, UDPG, UDP-Glc, UDP-glucopyranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: UDP-glucose Disodium Salt, Uridine-5'-diphospho-glucose, UDP-glucose, UDPG, UDP-Glc, UDP-glucopyranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8629 CH$LINK: INCHIKEY HSCJRCZFDFQWRP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072509.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072509.txt index 68ae12a0678..abe216ba5b4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072509.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072509.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS072509 -RECORD_TITLE: UDP-glucose Disodium Salt, Uridine-5'-diphospho-glucose, UDP-glucose, UDPG, UDP-Glc, UDP-glucopyranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: UDP-glucose Disodium Salt, Uridine-5'-diphospho-glucose, UDP-glucose, UDPG, UDP-Glc, UDP-glucopyranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8629 CH$LINK: INCHIKEY HSCJRCZFDFQWRP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072510.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072510.txt index 5522edd56d7..d305290e7da 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072510.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072510.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS072510 -RECORD_TITLE: UDP-glucose Disodium Salt, Uridine-5'-diphospho-glucose, UDP-glucose, UDPG, UDP-Glc, UDP-glucopyranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: UDP-glucose Disodium Salt, Uridine-5'-diphospho-glucose, UDP-glucose, UDPG, UDP-Glc, UDP-glucopyranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8629 CH$LINK: INCHIKEY HSCJRCZFDFQWRP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072511.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072511.txt index 68c61fcc36a..32bbab9b63f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072511.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072511.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS072511 -RECORD_TITLE: UDP-glucose Disodium Salt, Uridine-5'-diphospho-glucose, UDP-glucose, UDPG, UDP-Glc, UDP-glucopyranoside; LC-ESI-QQ; MS2 +RECORD_TITLE: UDP-glucose Disodium Salt, Uridine-5'-diphospho-glucose, UDP-glucose, UDPG, UDP-Glc, UDP-glucopyranoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8629 CH$LINK: INCHIKEY HSCJRCZFDFQWRP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072807.txt index 4ba909b38e6..b2d8efe802c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS072807 -RECORD_TITLE: UDP-galactose, UDP-Galactose disodium salt, UDP-D-galactopyranose, Uridine-5'-diphosphogalactose disodium salt, UDP-Gal; LC-ESI-QQ; MS2 +RECORD_TITLE: UDP-galactose, UDP-Galactose disodium salt, UDP-D-galactopyranose, Uridine-5'-diphosphogalactose disodium salt, UDP-Gal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:23724458 CH$LINK: INCHIKEY HSCJRCZFDFQWRP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072808.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072808.txt index 9dd2af644ef..86473006896 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072808.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS072808 -RECORD_TITLE: UDP-galactose, UDP-Galactose disodium salt, UDP-D-galactopyranose, Uridine-5'-diphosphogalactose disodium salt, UDP-Gal; LC-ESI-QQ; MS2 +RECORD_TITLE: UDP-galactose, UDP-Galactose disodium salt, UDP-D-galactopyranose, Uridine-5'-diphosphogalactose disodium salt, UDP-Gal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:23724458 CH$LINK: INCHIKEY HSCJRCZFDFQWRP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072809.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072809.txt index 4e1684abd7b..4bc13f584bd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072809.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072809.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS072809 -RECORD_TITLE: UDP-galactose, UDP-Galactose disodium salt, UDP-D-galactopyranose, Uridine-5'-diphosphogalactose disodium salt, UDP-Gal; LC-ESI-QQ; MS2 +RECORD_TITLE: UDP-galactose, UDP-Galactose disodium salt, UDP-D-galactopyranose, Uridine-5'-diphosphogalactose disodium salt, UDP-Gal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:23724458 CH$LINK: INCHIKEY HSCJRCZFDFQWRP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072810.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072810.txt index 2e074a07c7f..27a896ebb8b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072810.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072810.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS072810 -RECORD_TITLE: UDP-galactose, UDP-Galactose disodium salt, UDP-D-galactopyranose, Uridine-5'-diphosphogalactose disodium salt, UDP-Gal; LC-ESI-QQ; MS2 +RECORD_TITLE: UDP-galactose, UDP-Galactose disodium salt, UDP-D-galactopyranose, Uridine-5'-diphosphogalactose disodium salt, UDP-Gal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:23724458 CH$LINK: INCHIKEY HSCJRCZFDFQWRP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001296; Organic compounds; Nucleosides, nucleotides, and analogues; Pyrimidine nucleotides; Pyrimidine nucleotide sugars AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072902.txt index 3d33a3bd36c..601c0b94d6a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS072902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS072902 -RECORD_TITLE: 2,2-dimethoxy-3-phosphonooxypropanoic acid, 2,2-Dimethoxypropanoic acid 3-phosphate, Hydroxypyruvic acid dimethyl ketal phosphate tri(cyclohexylammonium) salt ; LC-ESI-QQ; MS2 +RECORD_TITLE: 2,2-dimethoxy-3-phosphonooxypropanoic acid, 2,2-Dimethoxypropanoic acid 3-phosphate, Hydroxypyruvic acid dimethyl ketal phosphate tri(cyclohexylammonium) salt ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:16219470 CH$LINK: INCHIKEY FLTWXIGFXYFAFG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000254; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Ethers AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073101.txt index 2c74ecce14d..4193fbbc689 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS073101 -RECORD_TITLE: trans-Zeatin, 6-(4-Hydroxy-3-methylbut-2-enylamino)purine, ZEE, N6-(4-Hydroxy-3-methyl-2-buten-1-yl)adenine ; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-Zeatin, 6-(4-Hydroxy-3-methylbut-2-enylamino)purine, ZEE, N6-(4-Hydroxy-3-methyl-2-buten-1-yl)adenine ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:449093 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073102.txt index 67e1569f4fb..fb799a092bc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS073102 -RECORD_TITLE: trans-Zeatin, 6-(4-Hydroxy-3-methylbut-2-enylamino)purine, ZEE, N6-(4-Hydroxy-3-methyl-2-buten-1-yl)adenine ; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-Zeatin, 6-(4-Hydroxy-3-methylbut-2-enylamino)purine, ZEE, N6-(4-Hydroxy-3-methyl-2-buten-1-yl)adenine ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:449093 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073103.txt index ec857be947e..fb88319ca5e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS073103 -RECORD_TITLE: trans-Zeatin, 6-(4-Hydroxy-3-methylbut-2-enylamino)purine, ZEE, N6-(4-Hydroxy-3-methyl-2-buten-1-yl)adenine ; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-Zeatin, 6-(4-Hydroxy-3-methylbut-2-enylamino)purine, ZEE, N6-(4-Hydroxy-3-methyl-2-buten-1-yl)adenine ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:449093 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073104.txt index e49fac81563..38d22ddbb37 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS073104 -RECORD_TITLE: trans-Zeatin, 6-(4-Hydroxy-3-methylbut-2-enylamino)purine, ZEE, N6-(4-Hydroxy-3-methyl-2-buten-1-yl)adenine ; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-Zeatin, 6-(4-Hydroxy-3-methylbut-2-enylamino)purine, ZEE, N6-(4-Hydroxy-3-methyl-2-buten-1-yl)adenine ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:449093 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073107.txt index 0dffa058f06..e4f31536017 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS073107 -RECORD_TITLE: trans-Zeatin, 6-(4-Hydroxy-3-methylbut-2-enylamino)purine, ZEE, N6-(4-Hydroxy-3-methyl-2-buten-1-yl)adenine ; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-Zeatin, 6-(4-Hydroxy-3-methylbut-2-enylamino)purine, ZEE, N6-(4-Hydroxy-3-methyl-2-buten-1-yl)adenine ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:449093 CH$LINK: INCHIKEY UZKQTCBAMSWPJD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073301.txt index 3769516c6cd..45eb92a7e41 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS073301 -RECORD_TITLE: (3R,3'R)-beta,beta-Carotene-3,3'-diol, Zeaxanthin; LC-ESI-QQ; MS2 +RECORD_TITLE: (3R,3'R)-beta,beta-Carotene-3,3'-diol, Zeaxanthin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5280899 CH$LINK: INCHIKEY JKQXZKUSFCKOGQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001554; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Tetraterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073302.txt index 7a23d949d6f..8a2d222794f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS073302 -RECORD_TITLE: (3R,3'R)-beta,beta-Carotene-3,3'-diol, Zeaxanthin; LC-ESI-QQ; MS2 +RECORD_TITLE: (3R,3'R)-beta,beta-Carotene-3,3'-diol, Zeaxanthin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5280899 CH$LINK: INCHIKEY JKQXZKUSFCKOGQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001554; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Tetraterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073501.txt index 719884b6c8d..63f46098d61 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS073501 -RECORD_TITLE: Methoxyprotocatechuic Aldehyde, 2-Methoxy-4-formylphenol, 4-Formyl-2-methoxyphenol, Zimco, Vanillaldehyde, Vanillin, Lioxin, Vanilla, 4-Hydroxy-3-methoxybenzaldehyde, Vanillin Aldehyde, Vanillic aldehyde, Protocatechualdehyde Methyl Ether; LC-ESI-QQ; MS2 +RECORD_TITLE: Methoxyprotocatechuic Aldehyde, 2-Methoxy-4-formylphenol, 4-Formyl-2-methoxyphenol, Zimco, Vanillaldehyde, Vanillin, Lioxin, Vanilla, 4-Hydroxy-3-methoxybenzaldehyde, Vanillin Aldehyde, Vanillic aldehyde, Protocatechualdehyde Methyl Ether; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:1183 CH$LINK: INCHIKEY MWOOGOJBHIARFG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073502.txt index 6bbfcd087b5..74059daff6f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS073502 -RECORD_TITLE: Methoxyprotocatechuic Aldehyde, 2-Methoxy-4-formylphenol, 4-Formyl-2-methoxyphenol, Zimco, Vanillaldehyde, Vanillin, Lioxin, Vanilla, 4-Hydroxy-3-methoxybenzaldehyde, Vanillin Aldehyde, Vanillic aldehyde, Protocatechualdehyde Methyl Ether; LC-ESI-QQ; MS2 +RECORD_TITLE: Methoxyprotocatechuic Aldehyde, 2-Methoxy-4-formylphenol, 4-Formyl-2-methoxyphenol, Zimco, Vanillaldehyde, Vanillin, Lioxin, Vanilla, 4-Hydroxy-3-methoxybenzaldehyde, Vanillin Aldehyde, Vanillic aldehyde, Protocatechualdehyde Methyl Ether; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:1183 CH$LINK: INCHIKEY MWOOGOJBHIARFG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073503.txt index 5187f0fea35..bb7b0d8c2f8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS073503 -RECORD_TITLE: Methoxyprotocatechuic Aldehyde, 2-Methoxy-4-formylphenol, 4-Formyl-2-methoxyphenol, Zimco, Vanillaldehyde, Vanillin, Lioxin, Vanilla, 4-Hydroxy-3-methoxybenzaldehyde, Vanillin Aldehyde, Vanillic aldehyde, Protocatechualdehyde Methyl Ether; LC-ESI-QQ; MS2 +RECORD_TITLE: Methoxyprotocatechuic Aldehyde, 2-Methoxy-4-formylphenol, 4-Formyl-2-methoxyphenol, Zimco, Vanillaldehyde, Vanillin, Lioxin, Vanilla, 4-Hydroxy-3-methoxybenzaldehyde, Vanillin Aldehyde, Vanillic aldehyde, Protocatechualdehyde Methyl Ether; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:1183 CH$LINK: INCHIKEY MWOOGOJBHIARFG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073701.txt index c04a4be8469..227d00d0d56 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS073701 -RECORD_TITLE: (S)-2-Amino-3-mercaptopropionic acid, beta-Mercapto-D-alanine, D-Cysteine, D-Cys; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-2-Amino-3-mercaptopropionic acid, beta-Mercapto-D-alanine, D-Cysteine, D-Cys; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:92851 CH$LINK: INCHIKEY XUJNEKJLAYXESH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073801.txt index 37805ca6e9f..ef5d20eb1ea 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS073801 -RECORD_TITLE: N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine, Isopentenyladenosine, 2iP Riboside, N-6-(delta-2-Isopentenyl)adenosinehemihydrate, 2iPA, Dimethylallyladenosine, Isopentenyl adenine riboside, 6-(gamma,gamma-Dimethylallylamino)purine riboside , N-Isopentenyladenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine, Isopentenyladenosine, 2iP Riboside, N-6-(delta-2-Isopentenyl)adenosinehemihydrate, 2iPA, Dimethylallyladenosine, Isopentenyl adenine riboside, 6-(gamma,gamma-Dimethylallylamino)purine riboside , N-Isopentenyladenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:24405 CH$LINK: INCHIKEY USVMJSALORZVDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073802.txt index e0f5021dde1..950e0e16894 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS073802 -RECORD_TITLE: N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine, Isopentenyladenosine, 2iP Riboside, N-6-(delta-2-Isopentenyl)adenosinehemihydrate, 2iPA, Dimethylallyladenosine, Isopentenyl adenine riboside, 6-(gamma,gamma-Dimethylallylamino)purine riboside , N-Isopentenyladenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine, Isopentenyladenosine, 2iP Riboside, N-6-(delta-2-Isopentenyl)adenosinehemihydrate, 2iPA, Dimethylallyladenosine, Isopentenyl adenine riboside, 6-(gamma,gamma-Dimethylallylamino)purine riboside , N-Isopentenyladenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:24405 CH$LINK: INCHIKEY USVMJSALORZVDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073803.txt index a03f7dc6927..edf55d40255 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS073803 -RECORD_TITLE: N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine, Isopentenyladenosine, 2iP Riboside, N-6-(delta-2-Isopentenyl)adenosinehemihydrate, 2iPA, Dimethylallyladenosine, Isopentenyl adenine riboside, 6-(gamma,gamma-Dimethylallylamino)purine riboside , N-Isopentenyladenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine, Isopentenyladenosine, 2iP Riboside, N-6-(delta-2-Isopentenyl)adenosinehemihydrate, 2iPA, Dimethylallyladenosine, Isopentenyl adenine riboside, 6-(gamma,gamma-Dimethylallylamino)purine riboside , N-Isopentenyladenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:24405 CH$LINK: INCHIKEY USVMJSALORZVDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073804.txt index ca4c002f936..e9abca8b8ca 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS073804 -RECORD_TITLE: N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine, Isopentenyladenosine, 2iP Riboside, N-6-(delta-2-Isopentenyl)adenosinehemihydrate, 2iPA, Dimethylallyladenosine, Isopentenyl adenine riboside, 6-(gamma,gamma-Dimethylallylamino)purine riboside , N-Isopentenyladenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine, Isopentenyladenosine, 2iP Riboside, N-6-(delta-2-Isopentenyl)adenosinehemihydrate, 2iPA, Dimethylallyladenosine, Isopentenyl adenine riboside, 6-(gamma,gamma-Dimethylallylamino)purine riboside , N-Isopentenyladenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:24405 CH$LINK: INCHIKEY USVMJSALORZVDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073805.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073805.txt index 252e957fbed..da0d71cfd62 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073805.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS073805 -RECORD_TITLE: N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine, Isopentenyladenosine, 2iP Riboside, N-6-(delta-2-Isopentenyl)adenosinehemihydrate, 2iPA, Dimethylallyladenosine, Isopentenyl adenine riboside, 6-(gamma,gamma-Dimethylallylamino)purine riboside , N-Isopentenyladenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine, Isopentenyladenosine, 2iP Riboside, N-6-(delta-2-Isopentenyl)adenosinehemihydrate, 2iPA, Dimethylallyladenosine, Isopentenyl adenine riboside, 6-(gamma,gamma-Dimethylallylamino)purine riboside , N-Isopentenyladenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:24405 CH$LINK: INCHIKEY USVMJSALORZVDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073806.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073806.txt index ae8607daea9..d25ad10c5fd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073806.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073806.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS073806 -RECORD_TITLE: N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine, Isopentenyladenosine, 2iP Riboside, N-6-(delta-2-Isopentenyl)adenosinehemihydrate, 2iPA, Dimethylallyladenosine, Isopentenyl adenine riboside, 6-(gamma,gamma-Dimethylallylamino)purine riboside , N-Isopentenyladenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: N6-(gamma,gamma-Dimethylallyl)adenosine, Riboprine, Isopentenyladenosine, 2iP Riboside, N-6-(delta-2-Isopentenyl)adenosinehemihydrate, 2iPA, Dimethylallyladenosine, Isopentenyl adenine riboside, 6-(gamma,gamma-Dimethylallylamino)purine riboside , N-Isopentenyladenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:24405 CH$LINK: INCHIKEY USVMJSALORZVDV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073901.txt index 93548f7c748..6665fdec234 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS073901 -RECORD_TITLE: (+)-delta-Tocopherol, 8-methyltocol, Vitamin E; LC-ESI-QQ; MS2 +RECORD_TITLE: (+)-delta-Tocopherol, 8-methyltocol, Vitamin E; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:92094 CH$LINK: INCHIKEY GZIFEOYASATJEH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073902.txt index 4fbb8f2f989..3b3a428d074 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS073902 -RECORD_TITLE: (+)-delta-Tocopherol, 8-methyltocol, Vitamin E; LC-ESI-QQ; MS2 +RECORD_TITLE: (+)-delta-Tocopherol, 8-methyltocol, Vitamin E; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:92094 CH$LINK: INCHIKEY GZIFEOYASATJEH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073903.txt index 182f5b2b919..42656089e6b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS073903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS073903 -RECORD_TITLE: (+)-delta-Tocopherol, 8-methyltocol, Vitamin E; LC-ESI-QQ; MS2 +RECORD_TITLE: (+)-delta-Tocopherol, 8-methyltocol, Vitamin E; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:92094 CH$LINK: INCHIKEY GZIFEOYASATJEH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074001.txt index 156283fcc52..1a9ae36234d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS074001 -RECORD_TITLE: 1,3-Propanediamine, 1,3-Diaminopropane; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,3-Propanediamine, 1,3-Diaminopropane; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:428 CH$LINK: INCHIKEY XFNJVJPLKCPIBV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074002.txt index 9fcf85b2074..d58d9393fbc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS074002 -RECORD_TITLE: 1,3-Propanediamine, 1,3-Diaminopropane; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,3-Propanediamine, 1,3-Diaminopropane; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:428 CH$LINK: INCHIKEY XFNJVJPLKCPIBV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074101.txt index b0f2586d7ac..db4255bc35b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS074101 -RECORD_TITLE: 4-Hydroxypyridine, 4-Pyridinol, 4-Pyridone, pyridin-4-ol, gamma-Oxypyridine; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Hydroxypyridine, 4-Pyridinol, 4-Pyridone, pyridin-4-ol, gamma-Oxypyridine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:12290 CH$LINK: INCHIKEY GCNTZFIIOFTKIY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074102.txt index 712516696f0..234245d0246 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS074102 -RECORD_TITLE: 4-Hydroxypyridine, 4-Pyridinol, 4-Pyridone, pyridin-4-ol, gamma-Oxypyridine; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Hydroxypyridine, 4-Pyridinol, 4-Pyridone, pyridin-4-ol, gamma-Oxypyridine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:12290 CH$LINK: INCHIKEY GCNTZFIIOFTKIY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074103.txt index e52937c12df..6f1e279131e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS074103 -RECORD_TITLE: 4-Hydroxypyridine, 4-Pyridinol, 4-Pyridone, pyridin-4-ol, gamma-Oxypyridine; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Hydroxypyridine, 4-Pyridinol, 4-Pyridone, pyridin-4-ol, gamma-Oxypyridine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:12290 CH$LINK: INCHIKEY GCNTZFIIOFTKIY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074104.txt index 4bb4a205739..ec5e3ca7d2c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS074104 -RECORD_TITLE: 4-Hydroxypyridine, 4-Pyridinol, 4-Pyridone, pyridin-4-ol, gamma-Oxypyridine; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Hydroxypyridine, 4-Pyridinol, 4-Pyridone, pyridin-4-ol, gamma-Oxypyridine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:12290 CH$LINK: INCHIKEY GCNTZFIIOFTKIY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074105.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074105.txt index 47c60032c99..1bd4413b7d7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074105.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS074105 -RECORD_TITLE: 4-Hydroxypyridine, 4-Pyridinol, 4-Pyridone, pyridin-4-ol, gamma-Oxypyridine; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Hydroxypyridine, 4-Pyridinol, 4-Pyridone, pyridin-4-ol, gamma-Oxypyridine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:12290 CH$LINK: INCHIKEY GCNTZFIIOFTKIY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002224; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydropyridines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074301.txt index 5120976eaa3..24839dc5235 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS074301 -RECORD_TITLE: DL-Glyceraldehyde, Aldtriose, Glyceric Aldehyde, Glycerinaldehyde, 2,3-Dihydropropanal, 2,3-Dihydroxypropionaldehyde, Glycerose; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-Glyceraldehyde, Aldtriose, Glyceric Aldehyde, Glycerinaldehyde, 2,3-Dihydropropanal, 2,3-Dihydroxypropionaldehyde, Glycerose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:79014 CH$LINK: INCHIKEY MNQZXJOMYWMBOU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074501.txt index bb3a9a80ca2..61005c50b20 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS074501 -RECORD_TITLE: L-Gluconolactone, L-Glucono-1,5-lactone; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Gluconolactone, L-Glucono-1,5-lactone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:1549082 CH$LINK: INCHIKEY PHOQVHQSTUBQQK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074506.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074506.txt index 1f6861ceef0..67b65c0e3a4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074506.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS074506 -RECORD_TITLE: L-Gluconolactone, L-Glucono-1,5-lactone; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Gluconolactone, L-Glucono-1,5-lactone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:1549082 CH$LINK: INCHIKEY PHOQVHQSTUBQQK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074601.txt index 71d0fdbaa41..2bdcabbd8eb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS074601 -RECORD_TITLE: 1,16-Hexadecanediol, 1,16-Dihydroxyhexadecane, Hexadecamethylene glycol; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,16-Hexadecanediol, 1,16-Dihydroxyhexadecane, Hexadecamethylene glycol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:82184 CH$LINK: INCHIKEY GJBXIPOYHVMPQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001334; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty alcohols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074602.txt index b641a78c06c..ca5c72499e2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS074602 -RECORD_TITLE: 1,16-Hexadecanediol, 1,16-Dihydroxyhexadecane, Hexadecamethylene glycol; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,16-Hexadecanediol, 1,16-Dihydroxyhexadecane, Hexadecamethylene glycol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:82184 CH$LINK: INCHIKEY GJBXIPOYHVMPQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001334; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty alcohols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074603.txt index 9f9f4c9d76d..88c36c70313 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS074603 -RECORD_TITLE: 1,16-Hexadecanediol, 1,16-Dihydroxyhexadecane, Hexadecamethylene glycol; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,16-Hexadecanediol, 1,16-Dihydroxyhexadecane, Hexadecamethylene glycol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:82184 CH$LINK: INCHIKEY GJBXIPOYHVMPQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001334; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty alcohols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074604.txt index c8662d6416e..caa880dcfd5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS074604 -RECORD_TITLE: 1,16-Hexadecanediol, 1,16-Dihydroxyhexadecane, Hexadecamethylene glycol; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,16-Hexadecanediol, 1,16-Dihydroxyhexadecane, Hexadecamethylene glycol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:82184 CH$LINK: INCHIKEY GJBXIPOYHVMPQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001334; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty alcohols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074605.txt index 27de4b07731..c3751fafc15 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS074605 -RECORD_TITLE: 1,16-Hexadecanediol, 1,16-Dihydroxyhexadecane, Hexadecamethylene glycol; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,16-Hexadecanediol, 1,16-Dihydroxyhexadecane, Hexadecamethylene glycol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:82184 CH$LINK: INCHIKEY GJBXIPOYHVMPQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001334; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty alcohols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074606.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074606.txt index 3b70bd08169..adedeb79d34 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074606.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074606.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS074606 -RECORD_TITLE: 1,16-Hexadecanediol, 1,16-Dihydroxyhexadecane, Hexadecamethylene glycol; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,16-Hexadecanediol, 1,16-Dihydroxyhexadecane, Hexadecamethylene glycol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:82184 CH$LINK: INCHIKEY GJBXIPOYHVMPQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001334; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty alcohols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074801.txt index 18a5af77252..cbd3cc5067d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS074801 -RECORD_TITLE: L-gamma-Glutamyl-L-cysteine, L-gamma-Glutamylcysteine, gamma-Glu-Cys, Des-Gly-glutathione Reduced Form, 5-L-Glutamyl-L-cysteine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-gamma-Glutamyl-L-cysteine, L-gamma-Glutamylcysteine, gamma-Glu-Cys, Des-Gly-glutathione Reduced Form, 5-L-Glutamyl-L-cysteine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:123938 CH$LINK: INCHIKEY RITKHVBHSGLULN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074802.txt index 4878167e6a9..de66bfd3410 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS074802 -RECORD_TITLE: L-gamma-Glutamyl-L-cysteine, L-gamma-Glutamylcysteine, gamma-Glu-Cys, Des-Gly-glutathione Reduced Form, 5-L-Glutamyl-L-cysteine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-gamma-Glutamyl-L-cysteine, L-gamma-Glutamylcysteine, gamma-Glu-Cys, Des-Gly-glutathione Reduced Form, 5-L-Glutamyl-L-cysteine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:123938 CH$LINK: INCHIKEY RITKHVBHSGLULN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074803.txt index e741e40774c..4d0c0d995a1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS074803 -RECORD_TITLE: L-gamma-Glutamyl-L-cysteine, L-gamma-Glutamylcysteine, gamma-Glu-Cys, Des-Gly-glutathione Reduced Form, 5-L-Glutamyl-L-cysteine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-gamma-Glutamyl-L-cysteine, L-gamma-Glutamylcysteine, gamma-Glu-Cys, Des-Gly-glutathione Reduced Form, 5-L-Glutamyl-L-cysteine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:123938 CH$LINK: INCHIKEY RITKHVBHSGLULN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074804.txt index eb69a16e560..07307549e43 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS074804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS074804 -RECORD_TITLE: L-gamma-Glutamyl-L-cysteine, L-gamma-Glutamylcysteine, gamma-Glu-Cys, Des-Gly-glutathione Reduced Form, 5-L-Glutamyl-L-cysteine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-gamma-Glutamyl-L-cysteine, L-gamma-Glutamylcysteine, gamma-Glu-Cys, Des-Gly-glutathione Reduced Form, 5-L-Glutamyl-L-cysteine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:123938 CH$LINK: INCHIKEY RITKHVBHSGLULN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075001.txt index e3dc9dd264f..2347e55c0aa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075001 -RECORD_TITLE: Sphinganine, C18-Dihydrosphingosine, safingol , Octadecasphinganine, 2-Amino-1,3-dihydroxyoctadecane, Dihydrosphingosine, D-erythro-Dihydrosphingosine, D-erythro-DHS; LC-ESI-QQ; MS2 +RECORD_TITLE: Sphinganine, C18-Dihydrosphingosine, safingol , Octadecasphinganine, 2-Amino-1,3-dihydroxyoctadecane, Dihydrosphingosine, D-erythro-Dihydrosphingosine, D-erythro-DHS; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:91486 CH$LINK: INCHIKEY OTKJDMGTUTTYMP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075002.txt index 267eae9cf30..67eee622ad1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075002 -RECORD_TITLE: Sphinganine, C18-Dihydrosphingosine, safingol , Octadecasphinganine, 2-Amino-1,3-dihydroxyoctadecane, Dihydrosphingosine, D-erythro-Dihydrosphingosine, D-erythro-DHS; LC-ESI-QQ; MS2 +RECORD_TITLE: Sphinganine, C18-Dihydrosphingosine, safingol , Octadecasphinganine, 2-Amino-1,3-dihydroxyoctadecane, Dihydrosphingosine, D-erythro-Dihydrosphingosine, D-erythro-DHS; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:91486 CH$LINK: INCHIKEY OTKJDMGTUTTYMP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075003.txt index 7d95efab171..abf34690b4d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075003 -RECORD_TITLE: Sphinganine, C18-Dihydrosphingosine, safingol , Octadecasphinganine, 2-Amino-1,3-dihydroxyoctadecane, Dihydrosphingosine, D-erythro-Dihydrosphingosine, D-erythro-DHS; LC-ESI-QQ; MS2 +RECORD_TITLE: Sphinganine, C18-Dihydrosphingosine, safingol , Octadecasphinganine, 2-Amino-1,3-dihydroxyoctadecane, Dihydrosphingosine, D-erythro-Dihydrosphingosine, D-erythro-DHS; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:91486 CH$LINK: INCHIKEY OTKJDMGTUTTYMP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075004.txt index 8a5d4b46a0a..c5034686428 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075004 -RECORD_TITLE: Sphinganine, C18-Dihydrosphingosine, safingol , Octadecasphinganine, 2-Amino-1,3-dihydroxyoctadecane, Dihydrosphingosine, D-erythro-Dihydrosphingosine, D-erythro-DHS; LC-ESI-QQ; MS2 +RECORD_TITLE: Sphinganine, C18-Dihydrosphingosine, safingol , Octadecasphinganine, 2-Amino-1,3-dihydroxyoctadecane, Dihydrosphingosine, D-erythro-Dihydrosphingosine, D-erythro-DHS; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:91486 CH$LINK: INCHIKEY OTKJDMGTUTTYMP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075005.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075005.txt index 718da0b2d98..7d3b83c29fc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075005.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075005 -RECORD_TITLE: Sphinganine, C18-Dihydrosphingosine, safingol , Octadecasphinganine, 2-Amino-1,3-dihydroxyoctadecane, Dihydrosphingosine, D-erythro-Dihydrosphingosine, D-erythro-DHS; LC-ESI-QQ; MS2 +RECORD_TITLE: Sphinganine, C18-Dihydrosphingosine, safingol , Octadecasphinganine, 2-Amino-1,3-dihydroxyoctadecane, Dihydrosphingosine, D-erythro-Dihydrosphingosine, D-erythro-DHS; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:91486 CH$LINK: INCHIKEY OTKJDMGTUTTYMP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075006.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075006.txt index f82a52272e3..c6096c975aa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075006.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075006.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075006 -RECORD_TITLE: Sphinganine, C18-Dihydrosphingosine, safingol , Octadecasphinganine, 2-Amino-1,3-dihydroxyoctadecane, Dihydrosphingosine, D-erythro-Dihydrosphingosine, D-erythro-DHS; LC-ESI-QQ; MS2 +RECORD_TITLE: Sphinganine, C18-Dihydrosphingosine, safingol , Octadecasphinganine, 2-Amino-1,3-dihydroxyoctadecane, Dihydrosphingosine, D-erythro-Dihydrosphingosine, D-erythro-DHS; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:91486 CH$LINK: INCHIKEY OTKJDMGTUTTYMP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075101.txt index f214eebc924..ec471a77b38 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075101 -RECORD_TITLE: 9-(beta-D-Glucopyranosyl)-trans-zeatin, Zeatin-9-glucoside, trans-Zeatinglucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 9-(beta-D-Glucopyranosyl)-trans-zeatin, Zeatin-9-glucoside, trans-Zeatinglucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:9842892 CH$LINK: INCHIKEY VYRAJOITMBSQSE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075102.txt index 74bfadfa0ce..47554434709 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075102 -RECORD_TITLE: 9-(beta-D-Glucopyranosyl)-trans-zeatin, Zeatin-9-glucoside, trans-Zeatinglucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 9-(beta-D-Glucopyranosyl)-trans-zeatin, Zeatin-9-glucoside, trans-Zeatinglucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:9842892 CH$LINK: INCHIKEY VYRAJOITMBSQSE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075103.txt index 09ba1a9ca0f..e15ebd0e878 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075103 -RECORD_TITLE: 9-(beta-D-Glucopyranosyl)-trans-zeatin, Zeatin-9-glucoside, trans-Zeatinglucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 9-(beta-D-Glucopyranosyl)-trans-zeatin, Zeatin-9-glucoside, trans-Zeatinglucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:9842892 CH$LINK: INCHIKEY VYRAJOITMBSQSE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075104.txt index 538bf58ea11..57e0b2e19be 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075104 -RECORD_TITLE: 9-(beta-D-Glucopyranosyl)-trans-zeatin, Zeatin-9-glucoside, trans-Zeatinglucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 9-(beta-D-Glucopyranosyl)-trans-zeatin, Zeatin-9-glucoside, trans-Zeatinglucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:9842892 CH$LINK: INCHIKEY VYRAJOITMBSQSE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075105.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075105.txt index 577a215c257..093e68bc021 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075105.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075105 -RECORD_TITLE: 9-(beta-D-Glucopyranosyl)-trans-zeatin, Zeatin-9-glucoside, trans-Zeatinglucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 9-(beta-D-Glucopyranosyl)-trans-zeatin, Zeatin-9-glucoside, trans-Zeatinglucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:9842892 CH$LINK: INCHIKEY VYRAJOITMBSQSE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075106.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075106.txt index 5c5e014a748..76f751826c5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075106.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075106 -RECORD_TITLE: 9-(beta-D-Glucopyranosyl)-trans-zeatin, Zeatin-9-glucoside, trans-Zeatinglucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 9-(beta-D-Glucopyranosyl)-trans-zeatin, Zeatin-9-glucoside, trans-Zeatinglucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:9842892 CH$LINK: INCHIKEY VYRAJOITMBSQSE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075201.txt index c1238133147..90318b744a1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075201 -RECORD_TITLE: Syringic aldehyde, Gallaldehyde 3,5-dimethyl ether, Syringylaldehyde, 3,5-Dimethoxy-4-hydroxybenzene carbonal, Syringealdehyde, Syringaldehyde, 4-Hydroxy-3,5-dimethoxybenzaldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Syringic aldehyde, Gallaldehyde 3,5-dimethyl ether, Syringylaldehyde, 3,5-Dimethoxy-4-hydroxybenzene carbonal, Syringealdehyde, Syringaldehyde, 4-Hydroxy-3,5-dimethoxybenzaldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8655 CH$LINK: INCHIKEY KCDXJAYRVLXPFO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075202.txt index 3d0a3d658d5..d02343c0623 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075202 -RECORD_TITLE: Syringic aldehyde, Gallaldehyde 3,5-dimethyl ether, Syringylaldehyde, 3,5-Dimethoxy-4-hydroxybenzene carbonal, Syringealdehyde, Syringaldehyde, 4-Hydroxy-3,5-dimethoxybenzaldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Syringic aldehyde, Gallaldehyde 3,5-dimethyl ether, Syringylaldehyde, 3,5-Dimethoxy-4-hydroxybenzene carbonal, Syringealdehyde, Syringaldehyde, 4-Hydroxy-3,5-dimethoxybenzaldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8655 CH$LINK: INCHIKEY KCDXJAYRVLXPFO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075203.txt index 84311ba2e5b..6906159d4c6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075203 -RECORD_TITLE: Syringic aldehyde, Gallaldehyde 3,5-dimethyl ether, Syringylaldehyde, 3,5-Dimethoxy-4-hydroxybenzene carbonal, Syringealdehyde, Syringaldehyde, 4-Hydroxy-3,5-dimethoxybenzaldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Syringic aldehyde, Gallaldehyde 3,5-dimethyl ether, Syringylaldehyde, 3,5-Dimethoxy-4-hydroxybenzene carbonal, Syringealdehyde, Syringaldehyde, 4-Hydroxy-3,5-dimethoxybenzaldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8655 CH$LINK: INCHIKEY KCDXJAYRVLXPFO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075204.txt index 2ef0204f927..ed36433eb47 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075204 -RECORD_TITLE: Syringic aldehyde, Gallaldehyde 3,5-dimethyl ether, Syringylaldehyde, 3,5-Dimethoxy-4-hydroxybenzene carbonal, Syringealdehyde, Syringaldehyde, 4-Hydroxy-3,5-dimethoxybenzaldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Syringic aldehyde, Gallaldehyde 3,5-dimethyl ether, Syringylaldehyde, 3,5-Dimethoxy-4-hydroxybenzene carbonal, Syringealdehyde, Syringaldehyde, 4-Hydroxy-3,5-dimethoxybenzaldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8655 CH$LINK: INCHIKEY KCDXJAYRVLXPFO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075303.txt index 71cdd4f0561..6817283a513 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075303 -RECORD_TITLE: AMP, Phosphaden, A-5'-P, Adenosine-5'-monophosphate, Adenovite, 5'-Adenylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: AMP, Phosphaden, A-5'-P, Adenosine-5'-monophosphate, Adenovite, 5'-Adenylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:6083 CH$LINK: INCHIKEY UDMBCSSLTHHNCD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001544; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleotides; Purine ribonucleotides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075401.txt index 88acffe9092..b800e2c7fc3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075401 -RECORD_TITLE: Citraconic Acid, Mesaconic Acid, 2-Methylmaleate, 2-Methyl-2-butenedioic acid, Methylmaleic acid, Citraconate, cis-Methylbutenedioic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Citraconic Acid, Mesaconic Acid, 2-Methylmaleate, 2-Methyl-2-butenedioic acid, Methylmaleic acid, Citraconate, cis-Methylbutenedioic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:643798 CH$LINK: INCHIKEY HNEGQIOMVPPMNR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075402.txt index 2863dbe7473..fad42665089 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075402 -RECORD_TITLE: Citraconic Acid, Mesaconic Acid, 2-Methylmaleate, 2-Methyl-2-butenedioic acid, Methylmaleic acid, Citraconate, cis-Methylbutenedioic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Citraconic Acid, Mesaconic Acid, 2-Methylmaleate, 2-Methyl-2-butenedioic acid, Methylmaleic acid, Citraconate, cis-Methylbutenedioic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:643798 CH$LINK: INCHIKEY HNEGQIOMVPPMNR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075403.txt index 57dbfcbed43..b4080350c40 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075403 -RECORD_TITLE: Citraconic Acid, Mesaconic Acid, 2-Methylmaleate, 2-Methyl-2-butenedioic acid, Methylmaleic acid, Citraconate, cis-Methylbutenedioic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Citraconic Acid, Mesaconic Acid, 2-Methylmaleate, 2-Methyl-2-butenedioic acid, Methylmaleic acid, Citraconate, cis-Methylbutenedioic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:643798 CH$LINK: INCHIKEY HNEGQIOMVPPMNR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075407.txt index 65091ce65d0..0ae3160c11e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075407 -RECORD_TITLE: Citraconic Acid, Mesaconic Acid, 2-Methylmaleate, 2-Methyl-2-butenedioic acid, Methylmaleic acid, Citraconate, cis-Methylbutenedioic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Citraconic Acid, Mesaconic Acid, 2-Methylmaleate, 2-Methyl-2-butenedioic acid, Methylmaleic acid, Citraconate, cis-Methylbutenedioic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:643798 CH$LINK: INCHIKEY HNEGQIOMVPPMNR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075408.txt index a8faf46a363..5825ba70c6b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075408 -RECORD_TITLE: Citraconic Acid, Mesaconic Acid, 2-Methylmaleate, 2-Methyl-2-butenedioic acid, Methylmaleic acid, Citraconate, cis-Methylbutenedioic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Citraconic Acid, Mesaconic Acid, 2-Methylmaleate, 2-Methyl-2-butenedioic acid, Methylmaleic acid, Citraconate, cis-Methylbutenedioic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:643798 CH$LINK: INCHIKEY HNEGQIOMVPPMNR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075501.txt index 77246e25ecb..72af831ce3c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075501 -RECORD_TITLE: Homopiperidinic acid, 5-Aminopentanoic acid, 5-Aminovaleric acid, delta-Aminovalerate, 5-Aminopentanoate; LC-ESI-QQ; MS2 +RECORD_TITLE: Homopiperidinic acid, 5-Aminopentanoic acid, 5-Aminovaleric acid, delta-Aminovalerate, 5-Aminopentanoate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:138 CH$LINK: INCHIKEY JJMDCOVWQOJGCB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075502.txt index 1e1d5e691c4..d478a089bf1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075502 -RECORD_TITLE: Homopiperidinic acid, 5-Aminopentanoic acid, 5-Aminovaleric acid, delta-Aminovalerate, 5-Aminopentanoate; LC-ESI-QQ; MS2 +RECORD_TITLE: Homopiperidinic acid, 5-Aminopentanoic acid, 5-Aminovaleric acid, delta-Aminovalerate, 5-Aminopentanoate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:138 CH$LINK: INCHIKEY JJMDCOVWQOJGCB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075503.txt index 6b152d33697..6732fbf46ae 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075503 -RECORD_TITLE: Homopiperidinic acid, 5-Aminopentanoic acid, 5-Aminovaleric acid, delta-Aminovalerate, 5-Aminopentanoate; LC-ESI-QQ; MS2 +RECORD_TITLE: Homopiperidinic acid, 5-Aminopentanoic acid, 5-Aminovaleric acid, delta-Aminovalerate, 5-Aminopentanoate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:138 CH$LINK: INCHIKEY JJMDCOVWQOJGCB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075504.txt index fe4559f9c06..3838abef316 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075504 -RECORD_TITLE: Homopiperidinic acid, 5-Aminopentanoic acid, 5-Aminovaleric acid, delta-Aminovalerate, 5-Aminopentanoate; LC-ESI-QQ; MS2 +RECORD_TITLE: Homopiperidinic acid, 5-Aminopentanoic acid, 5-Aminovaleric acid, delta-Aminovalerate, 5-Aminopentanoate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:138 CH$LINK: INCHIKEY JJMDCOVWQOJGCB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075607.txt index 2bba0084571..9662391f7f7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075607 -RECORD_TITLE: Tartrate, 1,2-Dihydroxyethane-1,2-dicarboxylic acid, (2R,3R)-(+)-Tartaric acid, 2,3-Dihydroxybutanedioic acid, L-Threaric acid, L(+)-Tartaric acid, Dextrotartaric acid, L(+)-2,3-Dihydroxysuccinic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Tartrate, 1,2-Dihydroxyethane-1,2-dicarboxylic acid, (2R,3R)-(+)-Tartaric acid, 2,3-Dihydroxybutanedioic acid, L-Threaric acid, L(+)-Tartaric acid, Dextrotartaric acid, L(+)-2,3-Dihydroxysuccinic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:444305 CH$LINK: INCHIKEY FEWJPZIEWOKRBE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075801.txt index c370aa8f3d0..492bbf53457 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075801 -RECORD_TITLE: DL-2-Aminobutyric acid, Abu, DL-alpha-Aminobutanoic acid , DL-2-Aminobutanoic acid, Butyrine, AABA, DL-2-Amino-n-butyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-2-Aminobutyric acid, Abu, DL-alpha-Aminobutanoic acid , DL-2-Aminobutanoic acid, Butyrine, AABA, DL-2-Amino-n-butyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:80283 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075802.txt index ca171e543f9..b820938f432 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075802 -RECORD_TITLE: DL-2-Aminobutyric acid, Abu, DL-alpha-Aminobutanoic acid , DL-2-Aminobutanoic acid, Butyrine, AABA, DL-2-Amino-n-butyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-2-Aminobutyric acid, Abu, DL-alpha-Aminobutanoic acid , DL-2-Aminobutanoic acid, Butyrine, AABA, DL-2-Amino-n-butyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:80283 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075803.txt index c4d6ad59add..c84d67b4ac8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075803 -RECORD_TITLE: DL-2-Aminobutyric acid, Abu, DL-alpha-Aminobutanoic acid , DL-2-Aminobutanoic acid, Butyrine, AABA, DL-2-Amino-n-butyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-2-Aminobutyric acid, Abu, DL-alpha-Aminobutanoic acid , DL-2-Aminobutanoic acid, Butyrine, AABA, DL-2-Amino-n-butyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:80283 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075901.txt index 1a0cb7895a9..8acbaad7afa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075901 -RECORD_TITLE: 3-(2-Methoxyphenyl)acrylic Acid, 2-Methoxycinnamic acid, Methyl-o-coumaric Acid, 3-(2-Methoxyphenyl)propenoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-(2-Methoxyphenyl)acrylic Acid, 2-Methoxycinnamic acid, Methyl-o-coumaric Acid, 3-(2-Methoxyphenyl)propenoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:734154 CH$LINK: INCHIKEY FEGVSPGUHMGGBO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075902.txt index 718ba212302..337556aee0a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075902 -RECORD_TITLE: 3-(2-Methoxyphenyl)acrylic Acid, 2-Methoxycinnamic acid, Methyl-o-coumaric Acid, 3-(2-Methoxyphenyl)propenoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-(2-Methoxyphenyl)acrylic Acid, 2-Methoxycinnamic acid, Methyl-o-coumaric Acid, 3-(2-Methoxyphenyl)propenoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:734154 CH$LINK: INCHIKEY FEGVSPGUHMGGBO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075903.txt index 08795685100..4a255fa9dac 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS075903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS075903 -RECORD_TITLE: 3-(2-Methoxyphenyl)acrylic Acid, 2-Methoxycinnamic acid, Methyl-o-coumaric Acid, 3-(2-Methoxyphenyl)propenoic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-(2-Methoxyphenyl)acrylic Acid, 2-Methoxycinnamic acid, Methyl-o-coumaric Acid, 3-(2-Methoxyphenyl)propenoic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:734154 CH$LINK: INCHIKEY FEGVSPGUHMGGBO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076001.txt index 80fa74ec156..30d8283b37e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS076001 -RECORD_TITLE: 3,4-Dimethoxycinnamic acid, Dimethylcaffeic acid, 3,4-Dimethoxyphenyl-2-propenoic acid, 3-(3,4-Dimethoxyphenyl)acrylic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,4-Dimethoxycinnamic acid, Dimethylcaffeic acid, 3,4-Dimethoxyphenyl-2-propenoic acid, 3-(3,4-Dimethoxyphenyl)acrylic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:717531 CH$LINK: INCHIKEY HJBWJAPEBGSQPR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076002.txt index 0ddbc3986d7..bb66313bf1a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS076002 -RECORD_TITLE: 3,4-Dimethoxycinnamic acid, Dimethylcaffeic acid, 3,4-Dimethoxyphenyl-2-propenoic acid, 3-(3,4-Dimethoxyphenyl)acrylic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,4-Dimethoxycinnamic acid, Dimethylcaffeic acid, 3,4-Dimethoxyphenyl-2-propenoic acid, 3-(3,4-Dimethoxyphenyl)acrylic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:717531 CH$LINK: INCHIKEY HJBWJAPEBGSQPR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076003.txt index b2d76a89944..2b6fd901e84 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS076003 -RECORD_TITLE: 3,4-Dimethoxycinnamic acid, Dimethylcaffeic acid, 3,4-Dimethoxyphenyl-2-propenoic acid, 3-(3,4-Dimethoxyphenyl)acrylic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,4-Dimethoxycinnamic acid, Dimethylcaffeic acid, 3,4-Dimethoxyphenyl-2-propenoic acid, 3-(3,4-Dimethoxyphenyl)acrylic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:717531 CH$LINK: INCHIKEY HJBWJAPEBGSQPR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076101.txt index a1a59a660b3..eaafe35df57 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS076101 -RECORD_TITLE: 3,5-Dimethoxycinnamic acid , 3,5-Dimethoxyphenyl-2-propenoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,5-Dimethoxycinnamic acid , 3,5-Dimethoxyphenyl-2-propenoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5324677 CH$LINK: INCHIKEY VLSRUFWCGBMYDJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076102.txt index 7286369f21d..d7220d4dc53 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS076102 -RECORD_TITLE: 3,5-Dimethoxycinnamic acid , 3,5-Dimethoxyphenyl-2-propenoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,5-Dimethoxycinnamic acid , 3,5-Dimethoxyphenyl-2-propenoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5324677 CH$LINK: INCHIKEY VLSRUFWCGBMYDJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076103.txt index e222f5bbc5b..1a277984f1e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS076103 -RECORD_TITLE: 3,5-Dimethoxycinnamic acid , 3,5-Dimethoxyphenyl-2-propenoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,5-Dimethoxycinnamic acid , 3,5-Dimethoxyphenyl-2-propenoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5324677 CH$LINK: INCHIKEY VLSRUFWCGBMYDJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076104.txt index 78462b0ca47..3542cca450c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS076104 -RECORD_TITLE: 3,5-Dimethoxycinnamic acid , 3,5-Dimethoxyphenyl-2-propenoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,5-Dimethoxycinnamic acid , 3,5-Dimethoxyphenyl-2-propenoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5324677 CH$LINK: INCHIKEY VLSRUFWCGBMYDJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076307.txt index 125f59feed8..0ed477cafef 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS076307 -RECORD_TITLE: 3-Coumaric Acid, m-Coumaric Acid, m-Hydroxycinnamic acid, 3-Hydroxycinnamic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Coumaric Acid, m-Coumaric Acid, m-Hydroxycinnamic acid, 3-Hydroxycinnamic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:637541 CH$LINK: INCHIKEY KKSDGJDHHZEWEP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076308.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076308.txt index 0f7fbe2b24c..f5973e1d066 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076308.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076308.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS076308 -RECORD_TITLE: 3-Coumaric Acid, m-Coumaric Acid, m-Hydroxycinnamic acid, 3-Hydroxycinnamic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Coumaric Acid, m-Coumaric Acid, m-Hydroxycinnamic acid, 3-Hydroxycinnamic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:637541 CH$LINK: INCHIKEY KKSDGJDHHZEWEP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076309.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076309.txt index a6d63885167..ba670892fbe 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076309.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076309.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS076309 -RECORD_TITLE: 3-Coumaric Acid, m-Coumaric Acid, m-Hydroxycinnamic acid, 3-Hydroxycinnamic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Coumaric Acid, m-Coumaric Acid, m-Hydroxycinnamic acid, 3-Hydroxycinnamic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:637541 CH$LINK: INCHIKEY KKSDGJDHHZEWEP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076401.txt index 26315bf5390..5874f7bedb4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS076401 -RECORD_TITLE: 3-Pyridinol, 3-Pyridyl alcohol, 3-Oxopyridine, 3-Pyridone, beta-Oxypyridine, Pyridin-3-ol, 3-Hydroxypyridine; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Pyridinol, 3-Pyridyl alcohol, 3-Oxopyridine, 3-Pyridone, beta-Oxypyridine, Pyridin-3-ol, 3-Hydroxypyridine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:7971 CH$LINK: INCHIKEY GRFNBEZIAWKNCO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004151; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydroxypyridines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076402.txt index 24f2c21ea84..32defd30b34 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS076402 -RECORD_TITLE: 3-Pyridinol, 3-Pyridyl alcohol, 3-Oxopyridine, 3-Pyridone, beta-Oxypyridine, Pyridin-3-ol, 3-Hydroxypyridine; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Pyridinol, 3-Pyridyl alcohol, 3-Oxopyridine, 3-Pyridone, beta-Oxypyridine, Pyridin-3-ol, 3-Hydroxypyridine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:7971 CH$LINK: INCHIKEY GRFNBEZIAWKNCO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004151; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydroxypyridines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076403.txt index 859169d7979..84c3b383aa3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS076403 -RECORD_TITLE: 3-Pyridinol, 3-Pyridyl alcohol, 3-Oxopyridine, 3-Pyridone, beta-Oxypyridine, Pyridin-3-ol, 3-Hydroxypyridine; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Pyridinol, 3-Pyridyl alcohol, 3-Oxopyridine, 3-Pyridone, beta-Oxypyridine, Pyridin-3-ol, 3-Hydroxypyridine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:7971 CH$LINK: INCHIKEY GRFNBEZIAWKNCO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004151; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydroxypyridines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076404.txt index 3df27878175..133fc69cb64 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS076404 -RECORD_TITLE: 3-Pyridinol, 3-Pyridyl alcohol, 3-Oxopyridine, 3-Pyridone, beta-Oxypyridine, Pyridin-3-ol, 3-Hydroxypyridine; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Pyridinol, 3-Pyridyl alcohol, 3-Oxopyridine, 3-Pyridone, beta-Oxypyridine, Pyridin-3-ol, 3-Hydroxypyridine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:7971 CH$LINK: INCHIKEY GRFNBEZIAWKNCO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004151; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydroxypyridines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076405.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076405.txt index 9965a070d4b..fb6ae05ad71 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076405.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS076405 -RECORD_TITLE: 3-Pyridinol, 3-Pyridyl alcohol, 3-Oxopyridine, 3-Pyridone, beta-Oxypyridine, Pyridin-3-ol, 3-Hydroxypyridine; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Pyridinol, 3-Pyridyl alcohol, 3-Oxopyridine, 3-Pyridone, beta-Oxypyridine, Pyridin-3-ol, 3-Hydroxypyridine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:7971 CH$LINK: INCHIKEY GRFNBEZIAWKNCO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004151; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Hydroxypyridines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076501.txt index 64252890e84..74f094cbd2b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS076501 -RECORD_TITLE: 3-(3-Methoxyphenyl)acrylic acid, m-Methoxycinnamic acid, 3-Methoxycinnamic acid, o-Methyl-m-coumaric Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-(3-Methoxyphenyl)acrylic acid, m-Methoxycinnamic acid, 3-Methoxycinnamic acid, o-Methyl-m-coumaric Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:637668 CH$LINK: INCHIKEY LZPNXAULYJPXEH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076502.txt index 07dafdc0b55..2e13a107f5d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS076502 -RECORD_TITLE: 3-(3-Methoxyphenyl)acrylic acid, m-Methoxycinnamic acid, 3-Methoxycinnamic acid, o-Methyl-m-coumaric Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-(3-Methoxyphenyl)acrylic acid, m-Methoxycinnamic acid, 3-Methoxycinnamic acid, o-Methyl-m-coumaric Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:637668 CH$LINK: INCHIKEY LZPNXAULYJPXEH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076601.txt index d78dd0db0d3..9f59c4e3ee3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS076601 -RECORD_TITLE: 4-Methoxycinnamic acid, o-Methyl-p-coumaric Acid, 3-(4-Methoxyphenyl)acrylic Acid, p-Methoxycinnamic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Methoxycinnamic acid, o-Methyl-p-coumaric Acid, 3-(4-Methoxyphenyl)acrylic Acid, p-Methoxycinnamic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:699414 CH$LINK: INCHIKEY AFDXODALSZRGIH-QPJJXVBHSA-N CH$LINK: ChemOnt CHEMONTID:0002504; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Cinnamic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076602.txt index 58966f3f1a2..1a2285b73e5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS076602 -RECORD_TITLE: 4-Methoxycinnamic acid, o-Methyl-p-coumaric Acid, 3-(4-Methoxyphenyl)acrylic Acid, p-Methoxycinnamic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Methoxycinnamic acid, o-Methyl-p-coumaric Acid, 3-(4-Methoxyphenyl)acrylic Acid, p-Methoxycinnamic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:699414 CH$LINK: INCHIKEY AFDXODALSZRGIH-QPJJXVBHSA-N CH$LINK: ChemOnt CHEMONTID:0002504; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Cinnamic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076603.txt index 6e65eaa38a3..6c77f50d01b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS076603 -RECORD_TITLE: 4-Methoxycinnamic acid, o-Methyl-p-coumaric Acid, 3-(4-Methoxyphenyl)acrylic Acid, p-Methoxycinnamic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Methoxycinnamic acid, o-Methyl-p-coumaric Acid, 3-(4-Methoxyphenyl)acrylic Acid, p-Methoxycinnamic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:699414 CH$LINK: INCHIKEY AFDXODALSZRGIH-QPJJXVBHSA-N CH$LINK: ChemOnt CHEMONTID:0002504; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Cinnamic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076801.txt index d874a259084..70131090f6f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS076801 -RECORD_TITLE: Contopheron, Tocophrin, Vectan, Vitamin E acetate, Econ, alpha-Tocopherol Acetate, Alfacol, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol Acetate, (+-)-alpha-Tocopherol Acetateacid ester, alpha-Tocopherolacetic, Fertilvit, alpha-Tocopheryl acetate; LC-ESI-QQ; MS2 +RECORD_TITLE: Contopheron, Tocophrin, Vectan, Vitamin E acetate, Econ, alpha-Tocopherol Acetate, Alfacol, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol Acetate, (+-)-alpha-Tocopherol Acetateacid ester, alpha-Tocopherolacetic, Fertilvit, alpha-Tocopheryl acetate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:86472 CH$LINK: INCHIKEY ZAKOWWREFLAJOT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076802.txt index a764a5b8e68..e7d4709da21 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS076802 -RECORD_TITLE: Contopheron, Tocophrin, Vectan, Vitamin E acetate, Econ, alpha-Tocopherol Acetate, Alfacol, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol Acetate, (+-)-alpha-Tocopherol Acetateacid ester, alpha-Tocopherolacetic, Fertilvit, alpha-Tocopheryl acetate; LC-ESI-QQ; MS2 +RECORD_TITLE: Contopheron, Tocophrin, Vectan, Vitamin E acetate, Econ, alpha-Tocopherol Acetate, Alfacol, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol Acetate, (+-)-alpha-Tocopherol Acetateacid ester, alpha-Tocopherolacetic, Fertilvit, alpha-Tocopheryl acetate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:86472 CH$LINK: INCHIKEY ZAKOWWREFLAJOT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076803.txt index 3db87239143..786c6e19644 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS076803 -RECORD_TITLE: Contopheron, Tocophrin, Vectan, Vitamin E acetate, Econ, alpha-Tocopherol Acetate, Alfacol, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol Acetate, (+-)-alpha-Tocopherol Acetateacid ester, alpha-Tocopherolacetic, Fertilvit, alpha-Tocopheryl acetate; LC-ESI-QQ; MS2 +RECORD_TITLE: Contopheron, Tocophrin, Vectan, Vitamin E acetate, Econ, alpha-Tocopherol Acetate, Alfacol, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol Acetate, (+-)-alpha-Tocopherol Acetateacid ester, alpha-Tocopherolacetic, Fertilvit, alpha-Tocopheryl acetate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:86472 CH$LINK: INCHIKEY ZAKOWWREFLAJOT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076804.txt index a511903bf1a..3cc162a4182 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS076804 -RECORD_TITLE: Contopheron, Tocophrin, Vectan, Vitamin E acetate, Econ, alpha-Tocopherol Acetate, Alfacol, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol Acetate, (+-)-alpha-Tocopherol Acetateacid ester, alpha-Tocopherolacetic, Fertilvit, alpha-Tocopheryl acetate; LC-ESI-QQ; MS2 +RECORD_TITLE: Contopheron, Tocophrin, Vectan, Vitamin E acetate, Econ, alpha-Tocopherol Acetate, Alfacol, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol Acetate, (+-)-alpha-Tocopherol Acetateacid ester, alpha-Tocopherolacetic, Fertilvit, alpha-Tocopheryl acetate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:86472 CH$LINK: INCHIKEY ZAKOWWREFLAJOT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076805.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076805.txt index d4d57ac8235..f93f7bf6663 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076805.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS076805 -RECORD_TITLE: Contopheron, Tocophrin, Vectan, Vitamin E acetate, Econ, alpha-Tocopherol Acetate, Alfacol, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol Acetate, (+-)-alpha-Tocopherol Acetateacid ester, alpha-Tocopherolacetic, Fertilvit, alpha-Tocopheryl acetate; LC-ESI-QQ; MS2 +RECORD_TITLE: Contopheron, Tocophrin, Vectan, Vitamin E acetate, Econ, alpha-Tocopherol Acetate, Alfacol, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol Acetate, (+-)-alpha-Tocopherol Acetateacid ester, alpha-Tocopherolacetic, Fertilvit, alpha-Tocopheryl acetate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:86472 CH$LINK: INCHIKEY ZAKOWWREFLAJOT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076806.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076806.txt index 5d73818bc66..9dd85649ea2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076806.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS076806.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS076806 -RECORD_TITLE: Contopheron, Tocophrin, Vectan, Vitamin E acetate, Econ, alpha-Tocopherol Acetate, Alfacol, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol Acetate, (+-)-alpha-Tocopherol Acetateacid ester, alpha-Tocopherolacetic, Fertilvit, alpha-Tocopheryl acetate; LC-ESI-QQ; MS2 +RECORD_TITLE: Contopheron, Tocophrin, Vectan, Vitamin E acetate, Econ, alpha-Tocopherol Acetate, Alfacol, 2,5,7,8-Tetramethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol Acetate, (+-)-alpha-Tocopherol Acetateacid ester, alpha-Tocopherolacetic, Fertilvit, alpha-Tocopheryl acetate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:86472 CH$LINK: INCHIKEY ZAKOWWREFLAJOT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077001.txt index e8da3865ef4..602b5213356 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS077001 -RECORD_TITLE: AOA, AOAA, Aminooxyacetic acid Hemihydrochloride, CMO, Aminooxyacetic acid, Carboxymethoxylamine; LC-ESI-QQ; MS2 +RECORD_TITLE: AOA, AOAA, Aminooxyacetic acid Hemihydrochloride, CMO, Aminooxyacetic acid, Carboxymethoxylamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:286 CH$LINK: INCHIKEY NQRKYASMKDDGHT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077007.txt index e2594642db0..2760952d81b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS077007 -RECORD_TITLE: AOA, AOAA, Aminooxyacetic acid Hemihydrochloride, CMO, Aminooxyacetic acid, Carboxymethoxylamine; LC-ESI-QQ; MS2 +RECORD_TITLE: AOA, AOAA, Aminooxyacetic acid Hemihydrochloride, CMO, Aminooxyacetic acid, Carboxymethoxylamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:286 CH$LINK: INCHIKEY NQRKYASMKDDGHT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077008.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077008.txt index 0cd2ab4475c..d9cbd5963d4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077008.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS077008 -RECORD_TITLE: AOA, AOAA, Aminooxyacetic acid Hemihydrochloride, CMO, Aminooxyacetic acid, Carboxymethoxylamine; LC-ESI-QQ; MS2 +RECORD_TITLE: AOA, AOAA, Aminooxyacetic acid Hemihydrochloride, CMO, Aminooxyacetic acid, Carboxymethoxylamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:286 CH$LINK: INCHIKEY NQRKYASMKDDGHT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077101.txt index 52512756ada..d3031a70221 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS077101 -RECORD_TITLE: rac-B-tocopherol, 5,8-dimethyltocol, beta-tocopherol; LC-ESI-QQ; MS2 +RECORD_TITLE: rac-B-tocopherol, 5,8-dimethyltocol, beta-tocopherol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:8989 CH$LINK: INCHIKEY WGVKWNUPNGFDFJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077104.txt index 0eb22fd521b..7235afbf04d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS077104 -RECORD_TITLE: rac-B-tocopherol, 5,8-dimethyltocol, beta-tocopherol; LC-ESI-QQ; MS2 +RECORD_TITLE: rac-B-tocopherol, 5,8-dimethyltocol, beta-tocopherol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:8989 CH$LINK: INCHIKEY WGVKWNUPNGFDFJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077207.txt index c5d6211f6ff..ad29a6ed5a7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS077207 -RECORD_TITLE: Citramalate, 2-Methylmalate, 2-Methylmalic acid, (-)-Citramalic acid, D-2-Methylmalic acid, 2-Hydroxy-2-methylsuccinic Acid, alpha-Hydroxypyrotartaric Acid, 2-Hydroxy-2-methylbutanedioic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Citramalate, 2-Methylmalate, 2-Methylmalic acid, (-)-Citramalic acid, D-2-Methylmalic acid, 2-Hydroxy-2-methylsuccinic Acid, alpha-Hydroxypyrotartaric Acid, 2-Hydroxy-2-methylbutanedioic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:439766 CH$LINK: INCHIKEY XFTRTWQBIOMVPK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077301.txt index 383a5ca7f05..6724daf2123 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS077301 -RECORD_TITLE: D(-)-Gulono-gamma-lactone, D(-)-Gulono-1,4-lactone, D-(-)-Gulonic Acid gamma-Lactone, gamma-Gulonolactone; LC-ESI-QQ; MS2 +RECORD_TITLE: D(-)-Gulono-gamma-lactone, D(-)-Gulono-1,4-lactone, D-(-)-Gulonic Acid gamma-Lactone, gamma-Gulonolactone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:165105 CH$LINK: INCHIKEY SXZYCXMUPBBULW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001245; Organic compounds; Organoheterocyclic compounds; Lactones; Gamma butyrolactones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077307.txt index 57365bb5357..65ea5f05530 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS077307 -RECORD_TITLE: D(-)-Gulono-gamma-lactone, D(-)-Gulono-1,4-lactone, D-(-)-Gulonic Acid gamma-Lactone, gamma-Gulonolactone; LC-ESI-QQ; MS2 +RECORD_TITLE: D(-)-Gulono-gamma-lactone, D(-)-Gulono-1,4-lactone, D-(-)-Gulonic Acid gamma-Lactone, gamma-Gulonolactone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:165105 CH$LINK: INCHIKEY SXZYCXMUPBBULW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001245; Organic compounds; Organoheterocyclic compounds; Lactones; Gamma butyrolactones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077701.txt index 9fe40466bc2..e8f03dab979 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS077701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS077701 -RECORD_TITLE: 2,3,4-Trihydroxybutanal, (2R,3R)-(-)-Erythrose, D-(-)-Erythrose; LC-ESI-QQ; MS2 +RECORD_TITLE: 2,3,4-Trihydroxybutanal, (2R,3R)-(-)-Erythrose, D-(-)-Erythrose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439574 CH$LINK: INCHIKEY FMAORJIQYMIRHF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078001.txt index 1aa5947e680..ee6b02e1a3d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078001 -RECORD_TITLE: 3',5,7-Trihydroxy-4'-methoxy flavanone, Hesperetin; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5,7-Trihydroxy-4'-methoxy flavanone, Hesperetin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:72281 CH$LINK: INCHIKEY AIONOLUJZLIMTK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078002.txt index e313bf3ca87..4cb70c77414 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078002 -RECORD_TITLE: 3',5,7-Trihydroxy-4'-methoxy flavanone, Hesperetin; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5,7-Trihydroxy-4'-methoxy flavanone, Hesperetin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:72281 CH$LINK: INCHIKEY AIONOLUJZLIMTK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078003.txt index 3c586b1b1f3..b7d1416c616 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078003 -RECORD_TITLE: 3',5,7-Trihydroxy-4'-methoxy flavanone, Hesperetin; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5,7-Trihydroxy-4'-methoxy flavanone, Hesperetin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:72281 CH$LINK: INCHIKEY AIONOLUJZLIMTK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078004.txt index 04b8e0ba885..b482560ca3f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078004 -RECORD_TITLE: 3',5,7-Trihydroxy-4'-methoxy flavanone, Hesperetin; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5,7-Trihydroxy-4'-methoxy flavanone, Hesperetin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:72281 CH$LINK: INCHIKEY AIONOLUJZLIMTK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078005.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078005.txt index 1870ce8dd0f..f18b0227964 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078005.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078005 -RECORD_TITLE: 3',5,7-Trihydroxy-4'-methoxy flavanone, Hesperetin; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5,7-Trihydroxy-4'-methoxy flavanone, Hesperetin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:72281 CH$LINK: INCHIKEY AIONOLUJZLIMTK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078007.txt index 33264ebf2e5..a74c0ad8347 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078007 -RECORD_TITLE: 3',5,7-Trihydroxy-4'-methoxy flavanone, Hesperetin; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5,7-Trihydroxy-4'-methoxy flavanone, Hesperetin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:72281 CH$LINK: INCHIKEY AIONOLUJZLIMTK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078008.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078008.txt index c051dc7a9c7..19bc99bd4aa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078008.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078008 -RECORD_TITLE: 3',5,7-Trihydroxy-4'-methoxy flavanone, Hesperetin; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5,7-Trihydroxy-4'-methoxy flavanone, Hesperetin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:72281 CH$LINK: INCHIKEY AIONOLUJZLIMTK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078009.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078009.txt index 4dc1ee0f4bd..9c31249b197 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078009.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078009 -RECORD_TITLE: 3',5,7-Trihydroxy-4'-methoxy flavanone, Hesperetin; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',5,7-Trihydroxy-4'-methoxy flavanone, Hesperetin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:72281 CH$LINK: INCHIKEY AIONOLUJZLIMTK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078101.txt index bff09dc6054..6559ee7e2fd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078101 -RECORD_TITLE: 2-Propene-1,2-dicarboxylic acid, Itaconic acid, Methylenebutanedioic acid, Propylenedicarboxylic acid, Itaconate, 3-Carboxy-3-butenoic Acid, Methylenesuccinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Propene-1,2-dicarboxylic acid, Itaconic acid, Methylenebutanedioic acid, Propylenedicarboxylic acid, Itaconate, 3-Carboxy-3-butenoic Acid, Methylenesuccinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:811 CH$LINK: INCHIKEY LVHBHZANLOWSRM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078102.txt index a5dd2fd5af1..9a170672f55 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078102 -RECORD_TITLE: 2-Propene-1,2-dicarboxylic acid, Itaconic acid, Methylenebutanedioic acid, Propylenedicarboxylic acid, Itaconate, 3-Carboxy-3-butenoic Acid, Methylenesuccinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Propene-1,2-dicarboxylic acid, Itaconic acid, Methylenebutanedioic acid, Propylenedicarboxylic acid, Itaconate, 3-Carboxy-3-butenoic Acid, Methylenesuccinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:811 CH$LINK: INCHIKEY LVHBHZANLOWSRM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078103.txt index ba380013b4e..3a1681a9c1f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078103 -RECORD_TITLE: 2-Propene-1,2-dicarboxylic acid, Itaconic acid, Methylenebutanedioic acid, Propylenedicarboxylic acid, Itaconate, 3-Carboxy-3-butenoic Acid, Methylenesuccinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Propene-1,2-dicarboxylic acid, Itaconic acid, Methylenebutanedioic acid, Propylenedicarboxylic acid, Itaconate, 3-Carboxy-3-butenoic Acid, Methylenesuccinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:811 CH$LINK: INCHIKEY LVHBHZANLOWSRM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078107.txt index 1b4f2117ed1..8dc37e58a0c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078107 -RECORD_TITLE: 2-Propene-1,2-dicarboxylic acid, Itaconic acid, Methylenebutanedioic acid, Propylenedicarboxylic acid, Itaconate, 3-Carboxy-3-butenoic Acid, Methylenesuccinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Propene-1,2-dicarboxylic acid, Itaconic acid, Methylenebutanedioic acid, Propylenedicarboxylic acid, Itaconate, 3-Carboxy-3-butenoic Acid, Methylenesuccinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:811 CH$LINK: INCHIKEY LVHBHZANLOWSRM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078202.txt index 4f4299ae578..90bc15411fe 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078202 -RECORD_TITLE: 1-Hydroxyethanecarboxylic acid, alpha-Hydroxypropanoic acid, 2-Hydroxypropionic acid, Lactate, 2-Hydroxy-2-methylacetic acid, Ethylidenelactic acid, Propel, Milk acid, DL-Lactic acid, Milchsaeure; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Hydroxyethanecarboxylic acid, alpha-Hydroxypropanoic acid, 2-Hydroxypropionic acid, Lactate, 2-Hydroxy-2-methylacetic acid, Ethylidenelactic acid, Propel, Milk acid, DL-Lactic acid, Milchsaeure; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:107689 CH$LINK: INCHIKEY JVTAAEKCZFNVCJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001359; Organic compounds; Organic acids and derivatives; Hydroxy acids and derivatives; Alpha hydroxy acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078301.txt index 6ebf69a545e..6dca5ee44c1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078301 -RECORD_TITLE: Glycerophosphate, L-Glycerol-2-phosphate Disodium Salt n-Hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycerophosphate, L-Glycerol-2-phosphate Disodium Salt n-Hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:2526 CH$LINK: INCHIKEY DHCLVCXQIBBOPH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078302.txt index fc1091b6cb2..b68a321006f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078302 -RECORD_TITLE: Glycerophosphate, L-Glycerol-2-phosphate Disodium Salt n-Hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycerophosphate, L-Glycerol-2-phosphate Disodium Salt n-Hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:2526 CH$LINK: INCHIKEY DHCLVCXQIBBOPH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078303.txt index e63b1d43521..7bcfabd53e3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078303 -RECORD_TITLE: Glycerophosphate, L-Glycerol-2-phosphate Disodium Salt n-Hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycerophosphate, L-Glycerol-2-phosphate Disodium Salt n-Hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:2526 CH$LINK: INCHIKEY DHCLVCXQIBBOPH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078307.txt index 51c099a8e63..7e7a7ecd9ba 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078307 -RECORD_TITLE: Glycerophosphate, L-Glycerol-2-phosphate Disodium Salt n-Hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycerophosphate, L-Glycerol-2-phosphate Disodium Salt n-Hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:2526 CH$LINK: INCHIKEY DHCLVCXQIBBOPH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078501.txt index 38e573b3bc7..46ba64c8d33 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078501 -RECORD_TITLE: Man-6P, 6-phosphono-D-mannopyranose, D-Mannose-6-phosphate mono sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Man-6P, 6-phosphono-D-mannopyranose, D-Mannose-6-phosphate mono sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:65127 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078507.txt index 6a3161be858..c16b6a222b6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078507 -RECORD_TITLE: Man-6P, 6-phosphono-D-mannopyranose, D-Mannose-6-phosphate mono sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Man-6P, 6-phosphono-D-mannopyranose, D-Mannose-6-phosphate mono sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:65127 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078508.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078508.txt index db6891517e5..86368948244 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078508.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078508 -RECORD_TITLE: Man-6P, 6-phosphono-D-mannopyranose, D-Mannose-6-phosphate mono sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Man-6P, 6-phosphono-D-mannopyranose, D-Mannose-6-phosphate mono sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:65127 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078509.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078509.txt index 202a92fdb05..cd9d16ba834 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078509.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078509.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078509 -RECORD_TITLE: Man-6P, 6-phosphono-D-mannopyranose, D-Mannose-6-phosphate mono sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Man-6P, 6-phosphono-D-mannopyranose, D-Mannose-6-phosphate mono sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:65127 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078510.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078510.txt index 09627c0505e..93e6448afe3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078510.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078510.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078510 -RECORD_TITLE: Man-6P, 6-phosphono-D-mannopyranose, D-Mannose-6-phosphate mono sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Man-6P, 6-phosphono-D-mannopyranose, D-Mannose-6-phosphate mono sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:65127 CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078607.txt index eb1bf633495..ae0e1a4235b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078607 -RECORD_TITLE: D-(+)-Melezitose hydrate, O-alpha-D-Glucopyranosyl-(1-3)-beta-D-fructofuranosyl-alpha-D-glucopyranoside, Glc(alpha1-3)Fruf(beta2-1alpha)Glc, Melizitose; LC-ESI-QQ; MS2 +RECORD_TITLE: D-(+)-Melezitose hydrate, O-alpha-D-Glucopyranosyl-(1-3)-beta-D-fructofuranosyl-alpha-D-glucopyranoside, Glc(alpha1-3)Fruf(beta2-1alpha)Glc, Melizitose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:92817 CH$LINK: INCHIKEY QWIZNVHXZXRPDR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078608.txt index 336cf1ee64e..14b5acd08d8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078608 -RECORD_TITLE: D-(+)-Melezitose hydrate, O-alpha-D-Glucopyranosyl-(1-3)-beta-D-fructofuranosyl-alpha-D-glucopyranoside, Glc(alpha1-3)Fruf(beta2-1alpha)Glc, Melizitose; LC-ESI-QQ; MS2 +RECORD_TITLE: D-(+)-Melezitose hydrate, O-alpha-D-Glucopyranosyl-(1-3)-beta-D-fructofuranosyl-alpha-D-glucopyranoside, Glc(alpha1-3)Fruf(beta2-1alpha)Glc, Melizitose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:92817 CH$LINK: INCHIKEY QWIZNVHXZXRPDR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078701.txt index 08415ff5c0b..cabdb5b16f0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078701 -RECORD_TITLE: N-Acetylglycine, Aceturic acid, Acetaminoacetic Acid, Ac-Gly, 2-(Acetylamino)ethanoic Acid, Ethanoylaminoethanoic acid, Acetylglycocoll, Acetamidoacetic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: N-Acetylglycine, Aceturic acid, Acetaminoacetic Acid, Ac-Gly, 2-(Acetylamino)ethanoic Acid, Ethanoylaminoethanoic acid, Acetylglycocoll, Acetamidoacetic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:10972 CH$LINK: INCHIKEY OKJIRPAQVSHGFK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078702.txt index 6523945ba2c..b9e21c1c74a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078702 -RECORD_TITLE: N-Acetylglycine, Aceturic acid, Acetaminoacetic Acid, Ac-Gly, 2-(Acetylamino)ethanoic Acid, Ethanoylaminoethanoic acid, Acetylglycocoll, Acetamidoacetic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: N-Acetylglycine, Aceturic acid, Acetaminoacetic Acid, Ac-Gly, 2-(Acetylamino)ethanoic Acid, Ethanoylaminoethanoic acid, Acetylglycocoll, Acetamidoacetic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:10972 CH$LINK: INCHIKEY OKJIRPAQVSHGFK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078707.txt index e2399da502e..a5934c44fe9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078707 -RECORD_TITLE: N-Acetylglycine, Aceturic acid, Acetaminoacetic Acid, Ac-Gly, 2-(Acetylamino)ethanoic Acid, Ethanoylaminoethanoic acid, Acetylglycocoll, Acetamidoacetic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: N-Acetylglycine, Aceturic acid, Acetaminoacetic Acid, Ac-Gly, 2-(Acetylamino)ethanoic Acid, Ethanoylaminoethanoic acid, Acetylglycocoll, Acetamidoacetic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:10972 CH$LINK: INCHIKEY OKJIRPAQVSHGFK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078803.txt index 55892ed97b0..19cb4352bcb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078803 -RECORD_TITLE: D-Altrulose, D-Psicose, Psi, (3R,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one, Erythrohexulose, Pseudofructose, D-ribo-2-Ketohexulose; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Altrulose, D-Psicose, Psi, (3R,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one, Erythrohexulose, Pseudofructose, D-ribo-2-Ketohexulose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:441036 CH$LINK: INCHIKEY LKDRXBCSQODPBY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078804.txt index 6dc521068f8..e0cb4ab7023 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078804 -RECORD_TITLE: D-Altrulose, D-Psicose, Psi, (3R,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one, Erythrohexulose, Pseudofructose, D-ribo-2-Ketohexulose; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Altrulose, D-Psicose, Psi, (3R,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one, Erythrohexulose, Pseudofructose, D-ribo-2-Ketohexulose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:441036 CH$LINK: INCHIKEY LKDRXBCSQODPBY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078901.txt index 1c9fa95857e..e63c26495fb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078901 -RECORD_TITLE: Resveratrol; LC-ESI-QQ; MS2 +RECORD_TITLE: Resveratrol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:445154 CH$LINK: INCHIKEY LUKBXSAWLPMMSZ-OWOJBTEDSA-N CH$LINK: ChemOnt CHEMONTID:0000253; Organic compounds; Phenylpropanoids and polyketides; Stilbenes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078902.txt index 2b2ebcfd18d..8af72a09f19 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078902 -RECORD_TITLE: Resveratrol; LC-ESI-QQ; MS2 +RECORD_TITLE: Resveratrol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:445154 CH$LINK: INCHIKEY LUKBXSAWLPMMSZ-OWOJBTEDSA-N CH$LINK: ChemOnt CHEMONTID:0000253; Organic compounds; Phenylpropanoids and polyketides; Stilbenes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078903.txt index 65337d95acd..efda1986e9b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078903 -RECORD_TITLE: Resveratrol; LC-ESI-QQ; MS2 +RECORD_TITLE: Resveratrol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:445154 CH$LINK: INCHIKEY LUKBXSAWLPMMSZ-OWOJBTEDSA-N CH$LINK: ChemOnt CHEMONTID:0000253; Organic compounds; Phenylpropanoids and polyketides; Stilbenes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078907.txt index 121ddf446fa..8be6415b73a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078907 -RECORD_TITLE: Resveratrol; LC-ESI-QQ; MS2 +RECORD_TITLE: Resveratrol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:445154 CH$LINK: INCHIKEY LUKBXSAWLPMMSZ-OWOJBTEDSA-N CH$LINK: ChemOnt CHEMONTID:0000253; Organic compounds; Phenylpropanoids and polyketides; Stilbenes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078908.txt index 269a7c715fa..34899866a20 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078908 -RECORD_TITLE: Resveratrol; LC-ESI-QQ; MS2 +RECORD_TITLE: Resveratrol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:445154 CH$LINK: INCHIKEY LUKBXSAWLPMMSZ-OWOJBTEDSA-N CH$LINK: ChemOnt CHEMONTID:0000253; Organic compounds; Phenylpropanoids and polyketides; Stilbenes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078909.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078909.txt index 920096edc9a..7f472c47883 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078909.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS078909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS078909 -RECORD_TITLE: Resveratrol; LC-ESI-QQ; MS2 +RECORD_TITLE: Resveratrol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:445154 CH$LINK: INCHIKEY LUKBXSAWLPMMSZ-OWOJBTEDSA-N CH$LINK: ChemOnt CHEMONTID:0000253; Organic compounds; Phenylpropanoids and polyketides; Stilbenes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079001.txt index 45b4bb4c828..b2ebd233fba 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS079001 -RECORD_TITLE: Rha, Mannomethylose, 6-Deoxy-L-mannose, Locaose , Isodulcitol, L(+)Rhamnopyranose, L-(+)-Rhamnose Monohydrate, dMan; LC-ESI-QQ; MS2 +RECORD_TITLE: Rha, Mannomethylose, 6-Deoxy-L-mannose, Locaose , Isodulcitol, L(+)Rhamnopyranose, L-(+)-Rhamnose Monohydrate, dMan; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:25310 CH$LINK: INCHIKEY SHZGCJCMOBCMKK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079101.txt index 9b7d065bca2..f518ebd5a0f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS079101 -RECORD_TITLE: Sinapinaldehyde, Sinapaldehyde, trans-3,5-Dimethoxy-alpha-hydroxy-cinnamaldehyde, 3-4-Hydroxy-3,5-dimethoxyphenylprop-2-enal, trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde, Sinapyl aldehyde, 4-Hydroxy-3,5-dimethoxycinnamaldehyde, Sinapoyl aldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Sinapinaldehyde, Sinapaldehyde, trans-3,5-Dimethoxy-alpha-hydroxy-cinnamaldehyde, 3-4-Hydroxy-3,5-dimethoxyphenylprop-2-enal, trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde, Sinapyl aldehyde, 4-Hydroxy-3,5-dimethoxycinnamaldehyde, Sinapoyl aldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280802 CH$LINK: INCHIKEY CDICDSOGTRCHMG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079102.txt index 9ece242d5b0..bedef9a2dbb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS079102 -RECORD_TITLE: Sinapinaldehyde, Sinapaldehyde, trans-3,5-Dimethoxy-alpha-hydroxy-cinnamaldehyde, 3-4-Hydroxy-3,5-dimethoxyphenylprop-2-enal, trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde, Sinapyl aldehyde, 4-Hydroxy-3,5-dimethoxycinnamaldehyde, Sinapoyl aldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Sinapinaldehyde, Sinapaldehyde, trans-3,5-Dimethoxy-alpha-hydroxy-cinnamaldehyde, 3-4-Hydroxy-3,5-dimethoxyphenylprop-2-enal, trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde, Sinapyl aldehyde, 4-Hydroxy-3,5-dimethoxycinnamaldehyde, Sinapoyl aldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280802 CH$LINK: INCHIKEY CDICDSOGTRCHMG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079103.txt index acfd452bcef..c2bf475c0c8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS079103 -RECORD_TITLE: Sinapinaldehyde, Sinapaldehyde, trans-3,5-Dimethoxy-alpha-hydroxy-cinnamaldehyde, 3-4-Hydroxy-3,5-dimethoxyphenylprop-2-enal, trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde, Sinapyl aldehyde, 4-Hydroxy-3,5-dimethoxycinnamaldehyde, Sinapoyl aldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Sinapinaldehyde, Sinapaldehyde, trans-3,5-Dimethoxy-alpha-hydroxy-cinnamaldehyde, 3-4-Hydroxy-3,5-dimethoxyphenylprop-2-enal, trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde, Sinapyl aldehyde, 4-Hydroxy-3,5-dimethoxycinnamaldehyde, Sinapoyl aldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280802 CH$LINK: INCHIKEY CDICDSOGTRCHMG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079107.txt index 146a742307b..0b3e54a820a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS079107 -RECORD_TITLE: Sinapinaldehyde, Sinapaldehyde, trans-3,5-Dimethoxy-alpha-hydroxy-cinnamaldehyde, 3-4-Hydroxy-3,5-dimethoxyphenylprop-2-enal, trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde, Sinapyl aldehyde, 4-Hydroxy-3,5-dimethoxycinnamaldehyde, Sinapoyl aldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Sinapinaldehyde, Sinapaldehyde, trans-3,5-Dimethoxy-alpha-hydroxy-cinnamaldehyde, 3-4-Hydroxy-3,5-dimethoxyphenylprop-2-enal, trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde, Sinapyl aldehyde, 4-Hydroxy-3,5-dimethoxycinnamaldehyde, Sinapoyl aldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280802 CH$LINK: INCHIKEY CDICDSOGTRCHMG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079108.txt index 48b8daf3666..179ffc82a88 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS079108 -RECORD_TITLE: Sinapinaldehyde, Sinapaldehyde, trans-3,5-Dimethoxy-alpha-hydroxy-cinnamaldehyde, 3-4-Hydroxy-3,5-dimethoxyphenylprop-2-enal, trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde, Sinapyl aldehyde, 4-Hydroxy-3,5-dimethoxycinnamaldehyde, Sinapoyl aldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Sinapinaldehyde, Sinapaldehyde, trans-3,5-Dimethoxy-alpha-hydroxy-cinnamaldehyde, 3-4-Hydroxy-3,5-dimethoxyphenylprop-2-enal, trans-3,5-Dimethoxy-4-hydroxycinnamaldehyde, Sinapyl aldehyde, 4-Hydroxy-3,5-dimethoxycinnamaldehyde, Sinapoyl aldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5280802 CH$LINK: INCHIKEY CDICDSOGTRCHMG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079201.txt index 40de6147bb9..30ce7d442f0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS079201 -RECORD_TITLE: D-Sorbitol-6-phosphate barium salt , D-Glucitol 6-phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Sorbitol-6-phosphate barium salt , D-Glucitol 6-phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079202.txt index f9827b75bd7..ab779973c4e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS079202 -RECORD_TITLE: D-Sorbitol-6-phosphate barium salt , D-Glucitol 6-phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Sorbitol-6-phosphate barium salt , D-Glucitol 6-phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079203.txt index 491e19ac7ba..0e90822be58 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS079203 -RECORD_TITLE: D-Sorbitol-6-phosphate barium salt , D-Glucitol 6-phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Sorbitol-6-phosphate barium salt , D-Glucitol 6-phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079207.txt index f3bd0269938..b08db592542 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS079207 -RECORD_TITLE: D-Sorbitol-6-phosphate barium salt , D-Glucitol 6-phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Sorbitol-6-phosphate barium salt , D-Glucitol 6-phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079208.txt index b77093457b7..770ad7be999 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS079208 -RECORD_TITLE: D-Sorbitol-6-phosphate barium salt , D-Glucitol 6-phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Sorbitol-6-phosphate barium salt , D-Glucitol 6-phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079209.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079209.txt index a92585a45df..82e5de35ca8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079209.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS079209 -RECORD_TITLE: D-Sorbitol-6-phosphate barium salt , D-Glucitol 6-phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Sorbitol-6-phosphate barium salt , D-Glucitol 6-phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079210.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079210.txt index 0a5eea4958f..a705505b1bd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079210.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079210.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS079210 -RECORD_TITLE: D-Sorbitol-6-phosphate barium salt , D-Glucitol 6-phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Sorbitol-6-phosphate barium salt , D-Glucitol 6-phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079211.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079211.txt index f8818d63965..a8517b35a41 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079211.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079211.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS079211 -RECORD_TITLE: D-Sorbitol-6-phosphate barium salt , D-Glucitol 6-phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Sorbitol-6-phosphate barium salt , D-Glucitol 6-phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079401.txt index d95d67646a3..5c0450b4dfd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS079401 -RECORD_TITLE: Suberic acid, Octanedioic acid, Suberate, Cork Acid, 1,6-Hexanedicarboxylic Acid, Hexamethylenedicarboxylic acid, Hexane-1,6-dicarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Suberic acid, Octanedioic acid, Suberate, Cork Acid, 1,6-Hexanedicarboxylic Acid, Hexamethylenedicarboxylic acid, Hexane-1,6-dicarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:10457 CH$LINK: INCHIKEY TYFQFVWCELRYAO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079402.txt index 2f842dd776d..fd82284ac08 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS079402 -RECORD_TITLE: Suberic acid, Octanedioic acid, Suberate, Cork Acid, 1,6-Hexanedicarboxylic Acid, Hexamethylenedicarboxylic acid, Hexane-1,6-dicarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Suberic acid, Octanedioic acid, Suberate, Cork Acid, 1,6-Hexanedicarboxylic Acid, Hexamethylenedicarboxylic acid, Hexane-1,6-dicarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:10457 CH$LINK: INCHIKEY TYFQFVWCELRYAO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079407.txt index cccce3a50f2..3670ba7e6c4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS079407 -RECORD_TITLE: Suberic acid, Octanedioic acid, Suberate, Cork Acid, 1,6-Hexanedicarboxylic Acid, Hexamethylenedicarboxylic acid, Hexane-1,6-dicarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Suberic acid, Octanedioic acid, Suberate, Cork Acid, 1,6-Hexanedicarboxylic Acid, Hexamethylenedicarboxylic acid, Hexane-1,6-dicarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:10457 CH$LINK: INCHIKEY TYFQFVWCELRYAO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079408.txt index bd63e0466d0..c389b8c0ed8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS079408 -RECORD_TITLE: Suberic acid, Octanedioic acid, Suberate, Cork Acid, 1,6-Hexanedicarboxylic Acid, Hexamethylenedicarboxylic acid, Hexane-1,6-dicarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Suberic acid, Octanedioic acid, Suberate, Cork Acid, 1,6-Hexanedicarboxylic Acid, Hexamethylenedicarboxylic acid, Hexane-1,6-dicarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:10457 CH$LINK: INCHIKEY TYFQFVWCELRYAO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079507.txt index ac877c0eb6f..ad4378c9fde 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS079507 -RECORD_TITLE: D-(-)-Tagatose, D-tagatopyranose , D-lyxo-Hexulose, Tag; LC-ESI-QQ; MS2 +RECORD_TITLE: D-(-)-Tagatose, D-tagatopyranose , D-lyxo-Hexulose, Tag; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439312 CH$LINK: INCHIKEY LKDRXBCSQODPBY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079707.txt index c5082668ca2..960cdca0416 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS079707 -RECORD_TITLE: (2R,3S)-2,3,4-Trihydroxybutyric acid , Threonate, L-Threonic acid hemicalcium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: (2R,3S)-2,3,4-Trihydroxybutyric acid , Threonate, L-Threonic acid hemicalcium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5460407 CH$LINK: INCHIKEY JPIJQSOTBSSVTP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079901.txt index 7cec4b17801..028eeb66011 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS079901 -RECORD_TITLE: 2,2',2''-Trihydroxytriethylamine, (2-Hydroxyethyl)amine, Daltogen, Trihydroxyethylamine, Tris(2-hydroxyethyl)amine, Triethanolamine, Triethylolamine, Trolamine, 2,2',2''-Nitrilotriethanol, Tri-beta-hydroxyethylamine, TEA; LC-ESI-QQ; MS2 +RECORD_TITLE: 2,2',2''-Trihydroxytriethylamine, (2-Hydroxyethyl)amine, Daltogen, Trihydroxyethylamine, Tris(2-hydroxyethyl)amine, Triethanolamine, Triethylolamine, Trolamine, 2,2',2''-Nitrilotriethanol, Tri-beta-hydroxyethylamine, TEA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:7618 CH$LINK: INCHIKEY GSEJCLTVZPLZKY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079902.txt index dce8366b4bf..f3bf23a339d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS079902 -RECORD_TITLE: 2,2',2''-Trihydroxytriethylamine, (2-Hydroxyethyl)amine, Daltogen, Trihydroxyethylamine, Tris(2-hydroxyethyl)amine, Triethanolamine, Triethylolamine, Trolamine, 2,2',2''-Nitrilotriethanol, Tri-beta-hydroxyethylamine, TEA; LC-ESI-QQ; MS2 +RECORD_TITLE: 2,2',2''-Trihydroxytriethylamine, (2-Hydroxyethyl)amine, Daltogen, Trihydroxyethylamine, Tris(2-hydroxyethyl)amine, Triethanolamine, Triethylolamine, Trolamine, 2,2',2''-Nitrilotriethanol, Tri-beta-hydroxyethylamine, TEA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:7618 CH$LINK: INCHIKEY GSEJCLTVZPLZKY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079903.txt index e8c67f1d2d3..9f6690bb8c8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS079903 -RECORD_TITLE: 2,2',2''-Trihydroxytriethylamine, (2-Hydroxyethyl)amine, Daltogen, Trihydroxyethylamine, Tris(2-hydroxyethyl)amine, Triethanolamine, Triethylolamine, Trolamine, 2,2',2''-Nitrilotriethanol, Tri-beta-hydroxyethylamine, TEA; LC-ESI-QQ; MS2 +RECORD_TITLE: 2,2',2''-Trihydroxytriethylamine, (2-Hydroxyethyl)amine, Daltogen, Trihydroxyethylamine, Tris(2-hydroxyethyl)amine, Triethanolamine, Triethylolamine, Trolamine, 2,2',2''-Nitrilotriethanol, Tri-beta-hydroxyethylamine, TEA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:7618 CH$LINK: INCHIKEY GSEJCLTVZPLZKY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079904.txt index 077cb8d05d0..67852f0ba19 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS079904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS079904 -RECORD_TITLE: 2,2',2''-Trihydroxytriethylamine, (2-Hydroxyethyl)amine, Daltogen, Trihydroxyethylamine, Tris(2-hydroxyethyl)amine, Triethanolamine, Triethylolamine, Trolamine, 2,2',2''-Nitrilotriethanol, Tri-beta-hydroxyethylamine, TEA; LC-ESI-QQ; MS2 +RECORD_TITLE: 2,2',2''-Trihydroxytriethylamine, (2-Hydroxyethyl)amine, Daltogen, Trihydroxyethylamine, Tris(2-hydroxyethyl)amine, Triethanolamine, Triethylolamine, Trolamine, 2,2',2''-Nitrilotriethanol, Tri-beta-hydroxyethylamine, TEA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:7618 CH$LINK: INCHIKEY GSEJCLTVZPLZKY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080001.txt index 1b262718a49..cb9cd137125 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS080001 -RECORD_TITLE: L-beta-Homoisoleucine hydrochloride, (3R,4S)-3-Amino-4-methylhexanoic acid hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: L-beta-Homoisoleucine hydrochloride, (3R,4S)-3-Amino-4-methylhexanoic acid hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:16211048 CH$LINK: INCHIKEY JHEDYGILOIBOTL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080002.txt index 66673c93b7d..de0c6bbfcf9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS080002 -RECORD_TITLE: L-beta-Homoisoleucine hydrochloride, (3R,4S)-3-Amino-4-methylhexanoic acid hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: L-beta-Homoisoleucine hydrochloride, (3R,4S)-3-Amino-4-methylhexanoic acid hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:16211048 CH$LINK: INCHIKEY JHEDYGILOIBOTL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080003.txt index 28f0c31e094..d0acccc7269 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS080003 -RECORD_TITLE: L-beta-Homoisoleucine hydrochloride, (3R,4S)-3-Amino-4-methylhexanoic acid hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: L-beta-Homoisoleucine hydrochloride, (3R,4S)-3-Amino-4-methylhexanoic acid hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:16211048 CH$LINK: INCHIKEY JHEDYGILOIBOTL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080005.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080005.txt index 9d53366bc52..0f3c736e1d6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080005.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS080005 -RECORD_TITLE: L-beta-Homoisoleucine hydrochloride, (3R,4S)-3-Amino-4-methylhexanoic acid hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: L-beta-Homoisoleucine hydrochloride, (3R,4S)-3-Amino-4-methylhexanoic acid hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:16211048 CH$LINK: INCHIKEY JHEDYGILOIBOTL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080201.txt index ac44c3df56c..f8883dafd73 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS080201 -RECORD_TITLE: 5,22-Cholestadien-24beta-methyl-3beta-ol, Ergosta-5,22-dien-3-ol, Ergosta-5,22(E)-dien-3beta-ol, Brassicasterol; LC-ESI-QQ; MS2 +RECORD_TITLE: 5,22-Cholestadien-24beta-methyl-3beta-ol, Ergosta-5,22-dien-3-ol, Ergosta-5,22(E)-dien-3beta-ol, Brassicasterol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5281327 CH$LINK: INCHIKEY OILXMJHPFNGGTO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003567; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Ergostane steroids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080701.txt index cb660ab0fa6..79e0a75d396 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS080701 -RECORD_TITLE: 12:0/12:0PA, 1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt, Dilauroylphosphatidic acid, DLPA, 1,2-Didodecanoyl phosphatidyl 1'-sn-glycerol; LC-ESI-QQ; MS2 +RECORD_TITLE: 12:0/12:0PA, 1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt, Dilauroylphosphatidic acid, DLPA, 1,2-Didodecanoyl phosphatidyl 1'-sn-glycerol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9547171 CH$LINK: INCHIKEY OKLASJZQBDJAPH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080702.txt index c58d7c510db..62b4160a833 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS080702 -RECORD_TITLE: 12:0/12:0PA, 1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt, Dilauroylphosphatidic acid, DLPA, 1,2-Didodecanoyl phosphatidyl 1'-sn-glycerol; LC-ESI-QQ; MS2 +RECORD_TITLE: 12:0/12:0PA, 1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt, Dilauroylphosphatidic acid, DLPA, 1,2-Didodecanoyl phosphatidyl 1'-sn-glycerol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9547171 CH$LINK: INCHIKEY OKLASJZQBDJAPH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080703.txt index 191607b7f1b..411e3a7384f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS080703 -RECORD_TITLE: 12:0/12:0PA, 1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt, Dilauroylphosphatidic acid, DLPA, 1,2-Didodecanoyl phosphatidyl 1'-sn-glycerol; LC-ESI-QQ; MS2 +RECORD_TITLE: 12:0/12:0PA, 1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt, Dilauroylphosphatidic acid, DLPA, 1,2-Didodecanoyl phosphatidyl 1'-sn-glycerol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9547171 CH$LINK: INCHIKEY OKLASJZQBDJAPH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080705.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080705.txt index f4604e77cd9..6bc35885d57 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080705.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS080705 -RECORD_TITLE: 12:0/12:0PA, 1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt, Dilauroylphosphatidic acid, DLPA, 1,2-Didodecanoyl phosphatidyl 1'-sn-glycerol; LC-ESI-QQ; MS2 +RECORD_TITLE: 12:0/12:0PA, 1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt, Dilauroylphosphatidic acid, DLPA, 1,2-Didodecanoyl phosphatidyl 1'-sn-glycerol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9547171 CH$LINK: INCHIKEY OKLASJZQBDJAPH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080706.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080706.txt index 2bd3824bc72..b4340e6aacf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080706.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080706.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS080706 -RECORD_TITLE: 12:0/12:0PA, 1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt, Dilauroylphosphatidic acid, DLPA, 1,2-Didodecanoyl phosphatidyl 1'-sn-glycerol; LC-ESI-QQ; MS2 +RECORD_TITLE: 12:0/12:0PA, 1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt, Dilauroylphosphatidic acid, DLPA, 1,2-Didodecanoyl phosphatidyl 1'-sn-glycerol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9547171 CH$LINK: INCHIKEY OKLASJZQBDJAPH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080707.txt index 08c30bbb5aa..1a6db5d21bb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS080707 -RECORD_TITLE: 12:0/12:0PA, 1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt, Dilauroylphosphatidic acid, DLPA, 1,2-Didodecanoyl phosphatidyl 1'-sn-glycerol; LC-ESI-QQ; MS2 +RECORD_TITLE: 12:0/12:0PA, 1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt, Dilauroylphosphatidic acid, DLPA, 1,2-Didodecanoyl phosphatidyl 1'-sn-glycerol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9547171 CH$LINK: INCHIKEY OKLASJZQBDJAPH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080708.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080708.txt index 4d85cbac49c..bc44a6c91db 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080708.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS080708 -RECORD_TITLE: 12:0/12:0PA, 1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt, Dilauroylphosphatidic acid, DLPA, 1,2-Didodecanoyl phosphatidyl 1'-sn-glycerol; LC-ESI-QQ; MS2 +RECORD_TITLE: 12:0/12:0PA, 1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt, Dilauroylphosphatidic acid, DLPA, 1,2-Didodecanoyl phosphatidyl 1'-sn-glycerol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9547171 CH$LINK: INCHIKEY OKLASJZQBDJAPH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080709.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080709.txt index 4ace262ddeb..c4fe747796f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080709.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080709.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS080709 -RECORD_TITLE: 12:0/12:0PA, 1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt, Dilauroylphosphatidic acid, DLPA, 1,2-Didodecanoyl phosphatidyl 1'-sn-glycerol; LC-ESI-QQ; MS2 +RECORD_TITLE: 12:0/12:0PA, 1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt, Dilauroylphosphatidic acid, DLPA, 1,2-Didodecanoyl phosphatidyl 1'-sn-glycerol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9547171 CH$LINK: INCHIKEY OKLASJZQBDJAPH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080710.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080710.txt index 6f93eeb3b27..eb9f76020c3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080710.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080710.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS080710 -RECORD_TITLE: 12:0/12:0PA, 1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt, Dilauroylphosphatidic acid, DLPA, 1,2-Didodecanoyl phosphatidyl 1'-sn-glycerol; LC-ESI-QQ; MS2 +RECORD_TITLE: 12:0/12:0PA, 1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt, Dilauroylphosphatidic acid, DLPA, 1,2-Didodecanoyl phosphatidyl 1'-sn-glycerol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9547171 CH$LINK: INCHIKEY OKLASJZQBDJAPH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080711.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080711.txt index d50d97a2162..7632db23803 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080711.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080711.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS080711 -RECORD_TITLE: 12:0/12:0PA, 1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt, Dilauroylphosphatidic acid, DLPA, 1,2-Didodecanoyl phosphatidyl 1'-sn-glycerol; LC-ESI-QQ; MS2 +RECORD_TITLE: 12:0/12:0PA, 1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt, Dilauroylphosphatidic acid, DLPA, 1,2-Didodecanoyl phosphatidyl 1'-sn-glycerol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9547171 CH$LINK: INCHIKEY OKLASJZQBDJAPH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080712.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080712.txt index fde9ded3d4e..e3f77270d8b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080712.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080712.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS080712 -RECORD_TITLE: 12:0/12:0PA, 1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt, Dilauroylphosphatidic acid, DLPA, 1,2-Didodecanoyl phosphatidyl 1'-sn-glycerol; LC-ESI-QQ; MS2 +RECORD_TITLE: 12:0/12:0PA, 1,2-Dilauroyl-sn-Glycero-3-Phosphate Monosodium Salt, Dilauroylphosphatidic acid, DLPA, 1,2-Didodecanoyl phosphatidyl 1'-sn-glycerol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9547171 CH$LINK: INCHIKEY OKLASJZQBDJAPH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080901.txt index 7703887b637..7933505b40c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS080901 -RECORD_TITLE: 1-Myristoyllysophosphatidic acid, 14:0 LysoPA, 1-tetradecanoyl-2-sn-glycero-3-phosphate, 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Myristoyllysophosphatidic acid, 14:0 LysoPA, 1-tetradecanoyl-2-sn-glycero-3-phosphate, 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9547180 CH$LINK: INCHIKEY FAZBDRGXCKPVJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080904.txt index 58a3adf5090..dc5a78672bd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS080904 -RECORD_TITLE: 1-Myristoyllysophosphatidic acid, 14:0 LysoPA, 1-tetradecanoyl-2-sn-glycero-3-phosphate, 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Myristoyllysophosphatidic acid, 14:0 LysoPA, 1-tetradecanoyl-2-sn-glycero-3-phosphate, 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9547180 CH$LINK: INCHIKEY FAZBDRGXCKPVJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080905.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080905.txt index a9f0fffa02e..710aa4e56ac 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080905.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS080905 -RECORD_TITLE: 1-Myristoyllysophosphatidic acid, 14:0 LysoPA, 1-tetradecanoyl-2-sn-glycero-3-phosphate, 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Myristoyllysophosphatidic acid, 14:0 LysoPA, 1-tetradecanoyl-2-sn-glycero-3-phosphate, 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9547180 CH$LINK: INCHIKEY FAZBDRGXCKPVJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080907.txt index 0358353ee77..32645355737 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS080907 -RECORD_TITLE: 1-Myristoyllysophosphatidic acid, 14:0 LysoPA, 1-tetradecanoyl-2-sn-glycero-3-phosphate, 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Myristoyllysophosphatidic acid, 14:0 LysoPA, 1-tetradecanoyl-2-sn-glycero-3-phosphate, 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9547180 CH$LINK: INCHIKEY FAZBDRGXCKPVJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080908.txt index a0220ea4f8e..d0132044630 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS080908 -RECORD_TITLE: 1-Myristoyllysophosphatidic acid, 14:0 LysoPA, 1-tetradecanoyl-2-sn-glycero-3-phosphate, 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Myristoyllysophosphatidic acid, 14:0 LysoPA, 1-tetradecanoyl-2-sn-glycero-3-phosphate, 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9547180 CH$LINK: INCHIKEY FAZBDRGXCKPVJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080909.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080909.txt index 5596c78655e..676ee6ee7ca 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080909.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS080909 -RECORD_TITLE: 1-Myristoyllysophosphatidic acid, 14:0 LysoPA, 1-tetradecanoyl-2-sn-glycero-3-phosphate, 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Myristoyllysophosphatidic acid, 14:0 LysoPA, 1-tetradecanoyl-2-sn-glycero-3-phosphate, 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9547180 CH$LINK: INCHIKEY FAZBDRGXCKPVJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080910.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080910.txt index 2efd9715ccb..a3b887497f4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080910.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080910.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS080910 -RECORD_TITLE: 1-Myristoyllysophosphatidic acid, 14:0 LysoPA, 1-tetradecanoyl-2-sn-glycero-3-phosphate, 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Myristoyllysophosphatidic acid, 14:0 LysoPA, 1-tetradecanoyl-2-sn-glycero-3-phosphate, 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9547180 CH$LINK: INCHIKEY FAZBDRGXCKPVJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080911.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080911.txt index 949eb04ee49..8fd3c6a4b6f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080911.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080911.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS080911 -RECORD_TITLE: 1-Myristoyllysophosphatidic acid, 14:0 LysoPA, 1-tetradecanoyl-2-sn-glycero-3-phosphate, 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Myristoyllysophosphatidic acid, 14:0 LysoPA, 1-tetradecanoyl-2-sn-glycero-3-phosphate, 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9547180 CH$LINK: INCHIKEY FAZBDRGXCKPVJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080912.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080912.txt index 549df504d47..ff8941bdb80 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080912.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS080912.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS080912 -RECORD_TITLE: 1-Myristoyllysophosphatidic acid, 14:0 LysoPA, 1-tetradecanoyl-2-sn-glycero-3-phosphate, 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Myristoyllysophosphatidic acid, 14:0 LysoPA, 1-tetradecanoyl-2-sn-glycero-3-phosphate, 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphate (Sodium Salt) Sodium Salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9547180 CH$LINK: INCHIKEY FAZBDRGXCKPVJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002214; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081301.txt index 5408b17e5fe..9b3c24a5f93 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081301 -RECORD_TITLE: 1-Dodecanoyllysolecithin, 12:0 LysoPC, Phosphocholine,1-Lauroyl-2-Hydroxy-sn-Glycero-3- , 1-Lauroyl-2-Hydroxy-sn-Glycero-3-Phosphocholine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Dodecanoyllysolecithin, 12:0 LysoPC, Phosphocholine,1-Lauroyl-2-Hydroxy-sn-Glycero-3- , 1-Lauroyl-2-Hydroxy-sn-Glycero-3-Phosphocholine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:460605 CH$LINK: INCHIKEY BWKILASWCLJPBO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002213; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081302.txt index c037d96b4a3..0c5079fba46 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081302 -RECORD_TITLE: 1-Dodecanoyllysolecithin, 12:0 LysoPC, Phosphocholine,1-Lauroyl-2-Hydroxy-sn-Glycero-3- , 1-Lauroyl-2-Hydroxy-sn-Glycero-3-Phosphocholine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Dodecanoyllysolecithin, 12:0 LysoPC, Phosphocholine,1-Lauroyl-2-Hydroxy-sn-Glycero-3- , 1-Lauroyl-2-Hydroxy-sn-Glycero-3-Phosphocholine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:460605 CH$LINK: INCHIKEY BWKILASWCLJPBO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002213; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081303.txt index 0f3a61734f9..0136bcd6d76 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081303 -RECORD_TITLE: 1-Dodecanoyllysolecithin, 12:0 LysoPC, Phosphocholine,1-Lauroyl-2-Hydroxy-sn-Glycero-3- , 1-Lauroyl-2-Hydroxy-sn-Glycero-3-Phosphocholine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Dodecanoyllysolecithin, 12:0 LysoPC, Phosphocholine,1-Lauroyl-2-Hydroxy-sn-Glycero-3- , 1-Lauroyl-2-Hydroxy-sn-Glycero-3-Phosphocholine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:460605 CH$LINK: INCHIKEY BWKILASWCLJPBO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002213; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081304.txt index c6a4681cccc..8a036011f46 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081304 -RECORD_TITLE: 1-Dodecanoyllysolecithin, 12:0 LysoPC, Phosphocholine,1-Lauroyl-2-Hydroxy-sn-Glycero-3- , 1-Lauroyl-2-Hydroxy-sn-Glycero-3-Phosphocholine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Dodecanoyllysolecithin, 12:0 LysoPC, Phosphocholine,1-Lauroyl-2-Hydroxy-sn-Glycero-3- , 1-Lauroyl-2-Hydroxy-sn-Glycero-3-Phosphocholine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:460605 CH$LINK: INCHIKEY BWKILASWCLJPBO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002213; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081305.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081305.txt index 85a73a5eafc..8de4f985964 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081305.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081305 -RECORD_TITLE: 1-Dodecanoyllysolecithin, 12:0 LysoPC, Phosphocholine,1-Lauroyl-2-Hydroxy-sn-Glycero-3- , 1-Lauroyl-2-Hydroxy-sn-Glycero-3-Phosphocholine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Dodecanoyllysolecithin, 12:0 LysoPC, Phosphocholine,1-Lauroyl-2-Hydroxy-sn-Glycero-3- , 1-Lauroyl-2-Hydroxy-sn-Glycero-3-Phosphocholine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:460605 CH$LINK: INCHIKEY BWKILASWCLJPBO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002213; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081306.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081306.txt index 7ef2e94e9bf..7ba4768e8cc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081306.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081306.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081306 -RECORD_TITLE: 1-Dodecanoyllysolecithin, 12:0 LysoPC, Phosphocholine,1-Lauroyl-2-Hydroxy-sn-Glycero-3- , 1-Lauroyl-2-Hydroxy-sn-Glycero-3-Phosphocholine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Dodecanoyllysolecithin, 12:0 LysoPC, Phosphocholine,1-Lauroyl-2-Hydroxy-sn-Glycero-3- , 1-Lauroyl-2-Hydroxy-sn-Glycero-3-Phosphocholine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:460605 CH$LINK: INCHIKEY BWKILASWCLJPBO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002213; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081401.txt index cb03cbb8202..4a5f1f87007 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081401 -RECORD_TITLE: Phosphocholine,1-Decanoyl-2-Hydroxy-sn-Glycero-3- , 1-decanoyl-sn-glycero-3-phosphocholine, 1-Decanoyl-2-Hydroxy-sn-Glycero-3-Phosphocholine, 10:0 LysoPC, 1-Decanoyllysolecithin, 1-Capryl-2-lysophosphatidylcholine; LC-ESI-QQ; MS2 +RECORD_TITLE: Phosphocholine,1-Decanoyl-2-Hydroxy-sn-Glycero-3- , 1-decanoyl-sn-glycero-3-phosphocholine, 1-Decanoyl-2-Hydroxy-sn-Glycero-3-Phosphocholine, 10:0 LysoPC, 1-Decanoyllysolecithin, 1-Capryl-2-lysophosphatidylcholine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:22851442 CH$LINK: INCHIKEY SECPDKKEUKDCPG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002213; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081402.txt index aed4d6104d7..0c87d97647e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081402 -RECORD_TITLE: Phosphocholine,1-Decanoyl-2-Hydroxy-sn-Glycero-3- , 1-decanoyl-sn-glycero-3-phosphocholine, 1-Decanoyl-2-Hydroxy-sn-Glycero-3-Phosphocholine, 10:0 LysoPC, 1-Decanoyllysolecithin, 1-Capryl-2-lysophosphatidylcholine; LC-ESI-QQ; MS2 +RECORD_TITLE: Phosphocholine,1-Decanoyl-2-Hydroxy-sn-Glycero-3- , 1-decanoyl-sn-glycero-3-phosphocholine, 1-Decanoyl-2-Hydroxy-sn-Glycero-3-Phosphocholine, 10:0 LysoPC, 1-Decanoyllysolecithin, 1-Capryl-2-lysophosphatidylcholine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:22851442 CH$LINK: INCHIKEY SECPDKKEUKDCPG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002213; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081403.txt index 2543218802c..a2ced0d41f5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081403 -RECORD_TITLE: Phosphocholine,1-Decanoyl-2-Hydroxy-sn-Glycero-3- , 1-decanoyl-sn-glycero-3-phosphocholine, 1-Decanoyl-2-Hydroxy-sn-Glycero-3-Phosphocholine, 10:0 LysoPC, 1-Decanoyllysolecithin, 1-Capryl-2-lysophosphatidylcholine; LC-ESI-QQ; MS2 +RECORD_TITLE: Phosphocholine,1-Decanoyl-2-Hydroxy-sn-Glycero-3- , 1-decanoyl-sn-glycero-3-phosphocholine, 1-Decanoyl-2-Hydroxy-sn-Glycero-3-Phosphocholine, 10:0 LysoPC, 1-Decanoyllysolecithin, 1-Capryl-2-lysophosphatidylcholine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:22851442 CH$LINK: INCHIKEY SECPDKKEUKDCPG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002213; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081404.txt index 2595c694d93..9390caf2ff7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081404 -RECORD_TITLE: Phosphocholine,1-Decanoyl-2-Hydroxy-sn-Glycero-3- , 1-decanoyl-sn-glycero-3-phosphocholine, 1-Decanoyl-2-Hydroxy-sn-Glycero-3-Phosphocholine, 10:0 LysoPC, 1-Decanoyllysolecithin, 1-Capryl-2-lysophosphatidylcholine; LC-ESI-QQ; MS2 +RECORD_TITLE: Phosphocholine,1-Decanoyl-2-Hydroxy-sn-Glycero-3- , 1-decanoyl-sn-glycero-3-phosphocholine, 1-Decanoyl-2-Hydroxy-sn-Glycero-3-Phosphocholine, 10:0 LysoPC, 1-Decanoyllysolecithin, 1-Capryl-2-lysophosphatidylcholine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:22851442 CH$LINK: INCHIKEY SECPDKKEUKDCPG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002213; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081405.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081405.txt index a83bb1a93fa..f694f01c45f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081405.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081405 -RECORD_TITLE: Phosphocholine,1-Decanoyl-2-Hydroxy-sn-Glycero-3- , 1-decanoyl-sn-glycero-3-phosphocholine, 1-Decanoyl-2-Hydroxy-sn-Glycero-3-Phosphocholine, 10:0 LysoPC, 1-Decanoyllysolecithin, 1-Capryl-2-lysophosphatidylcholine; LC-ESI-QQ; MS2 +RECORD_TITLE: Phosphocholine,1-Decanoyl-2-Hydroxy-sn-Glycero-3- , 1-decanoyl-sn-glycero-3-phosphocholine, 1-Decanoyl-2-Hydroxy-sn-Glycero-3-Phosphocholine, 10:0 LysoPC, 1-Decanoyllysolecithin, 1-Capryl-2-lysophosphatidylcholine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:22851442 CH$LINK: INCHIKEY SECPDKKEUKDCPG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002213; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081406.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081406.txt index b2375d87a45..5561b21cd04 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081406.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081406.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081406 -RECORD_TITLE: Phosphocholine,1-Decanoyl-2-Hydroxy-sn-Glycero-3- , 1-decanoyl-sn-glycero-3-phosphocholine, 1-Decanoyl-2-Hydroxy-sn-Glycero-3-Phosphocholine, 10:0 LysoPC, 1-Decanoyllysolecithin, 1-Capryl-2-lysophosphatidylcholine; LC-ESI-QQ; MS2 +RECORD_TITLE: Phosphocholine,1-Decanoyl-2-Hydroxy-sn-Glycero-3- , 1-decanoyl-sn-glycero-3-phosphocholine, 1-Decanoyl-2-Hydroxy-sn-Glycero-3-Phosphocholine, 10:0 LysoPC, 1-Decanoyllysolecithin, 1-Capryl-2-lysophosphatidylcholine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:22851442 CH$LINK: INCHIKEY SECPDKKEUKDCPG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002213; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphocholines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081501.txt index 8b6bd44f297..914a389da41 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081501 -RECORD_TITLE: 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphoethanolamine, Phosphoethanolamine,1-Myristoyl-2-Hydroxy-sn-Glycero-3-, 1-tetradecanoyl-sn-glycero-3-phosphoethanolamine, 14:0 LysoPE; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphoethanolamine, Phosphoethanolamine,1-Myristoyl-2-Hydroxy-sn-Glycero-3-, 1-tetradecanoyl-sn-glycero-3-phosphoethanolamine, 14:0 LysoPE; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9547070 CH$LINK: INCHIKEY RPXHXZNGZBHSMJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002215; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoethanolamines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081502.txt index ce84c2fb837..4a5758ee049 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081502 -RECORD_TITLE: 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphoethanolamine, Phosphoethanolamine,1-Myristoyl-2-Hydroxy-sn-Glycero-3-, 1-tetradecanoyl-sn-glycero-3-phosphoethanolamine, 14:0 LysoPE; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphoethanolamine, Phosphoethanolamine,1-Myristoyl-2-Hydroxy-sn-Glycero-3-, 1-tetradecanoyl-sn-glycero-3-phosphoethanolamine, 14:0 LysoPE; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9547070 CH$LINK: INCHIKEY RPXHXZNGZBHSMJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002215; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoethanolamines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081503.txt index 05183f55c8d..0c7dbddc474 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081503 -RECORD_TITLE: 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphoethanolamine, Phosphoethanolamine,1-Myristoyl-2-Hydroxy-sn-Glycero-3-, 1-tetradecanoyl-sn-glycero-3-phosphoethanolamine, 14:0 LysoPE; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphoethanolamine, Phosphoethanolamine,1-Myristoyl-2-Hydroxy-sn-Glycero-3-, 1-tetradecanoyl-sn-glycero-3-phosphoethanolamine, 14:0 LysoPE; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9547070 CH$LINK: INCHIKEY RPXHXZNGZBHSMJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002215; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoethanolamines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081504.txt index 49ad0ba7a9a..2b64afabc2b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081504 -RECORD_TITLE: 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphoethanolamine, Phosphoethanolamine,1-Myristoyl-2-Hydroxy-sn-Glycero-3-, 1-tetradecanoyl-sn-glycero-3-phosphoethanolamine, 14:0 LysoPE; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphoethanolamine, Phosphoethanolamine,1-Myristoyl-2-Hydroxy-sn-Glycero-3-, 1-tetradecanoyl-sn-glycero-3-phosphoethanolamine, 14:0 LysoPE; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9547070 CH$LINK: INCHIKEY RPXHXZNGZBHSMJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002215; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoethanolamines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081505.txt index 50d2b12352c..df5fae757dc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081505 -RECORD_TITLE: 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphoethanolamine, Phosphoethanolamine,1-Myristoyl-2-Hydroxy-sn-Glycero-3-, 1-tetradecanoyl-sn-glycero-3-phosphoethanolamine, 14:0 LysoPE; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphoethanolamine, Phosphoethanolamine,1-Myristoyl-2-Hydroxy-sn-Glycero-3-, 1-tetradecanoyl-sn-glycero-3-phosphoethanolamine, 14:0 LysoPE; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9547070 CH$LINK: INCHIKEY RPXHXZNGZBHSMJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002215; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoethanolamines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081506.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081506.txt index bb527b36f10..f3234b7a01e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081506.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081506 -RECORD_TITLE: 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphoethanolamine, Phosphoethanolamine,1-Myristoyl-2-Hydroxy-sn-Glycero-3-, 1-tetradecanoyl-sn-glycero-3-phosphoethanolamine, 14:0 LysoPE; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphoethanolamine, Phosphoethanolamine,1-Myristoyl-2-Hydroxy-sn-Glycero-3-, 1-tetradecanoyl-sn-glycero-3-phosphoethanolamine, 14:0 LysoPE; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9547070 CH$LINK: INCHIKEY RPXHXZNGZBHSMJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002215; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoethanolamines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081507.txt index 1442ac0e4f0..85df9819065 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081507 -RECORD_TITLE: 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphoethanolamine, Phosphoethanolamine,1-Myristoyl-2-Hydroxy-sn-Glycero-3-, 1-tetradecanoyl-sn-glycero-3-phosphoethanolamine, 14:0 LysoPE; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphoethanolamine, Phosphoethanolamine,1-Myristoyl-2-Hydroxy-sn-Glycero-3-, 1-tetradecanoyl-sn-glycero-3-phosphoethanolamine, 14:0 LysoPE; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9547070 CH$LINK: INCHIKEY RPXHXZNGZBHSMJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002215; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoethanolamines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081508.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081508.txt index 3fd90c71e37..a952f0f0510 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081508.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081508 -RECORD_TITLE: 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphoethanolamine, Phosphoethanolamine,1-Myristoyl-2-Hydroxy-sn-Glycero-3-, 1-tetradecanoyl-sn-glycero-3-phosphoethanolamine, 14:0 LysoPE; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphoethanolamine, Phosphoethanolamine,1-Myristoyl-2-Hydroxy-sn-Glycero-3-, 1-tetradecanoyl-sn-glycero-3-phosphoethanolamine, 14:0 LysoPE; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9547070 CH$LINK: INCHIKEY RPXHXZNGZBHSMJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002215; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoethanolamines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081509.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081509.txt index 2ff1ac91579..f4aeefad5ea 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081509.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081509.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081509 -RECORD_TITLE: 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphoethanolamine, Phosphoethanolamine,1-Myristoyl-2-Hydroxy-sn-Glycero-3-, 1-tetradecanoyl-sn-glycero-3-phosphoethanolamine, 14:0 LysoPE; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphoethanolamine, Phosphoethanolamine,1-Myristoyl-2-Hydroxy-sn-Glycero-3-, 1-tetradecanoyl-sn-glycero-3-phosphoethanolamine, 14:0 LysoPE; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9547070 CH$LINK: INCHIKEY RPXHXZNGZBHSMJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002215; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoethanolamines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081510.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081510.txt index 0309a0670d1..cde01e82579 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081510.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081510.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081510 -RECORD_TITLE: 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphoethanolamine, Phosphoethanolamine,1-Myristoyl-2-Hydroxy-sn-Glycero-3-, 1-tetradecanoyl-sn-glycero-3-phosphoethanolamine, 14:0 LysoPE; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphoethanolamine, Phosphoethanolamine,1-Myristoyl-2-Hydroxy-sn-Glycero-3-, 1-tetradecanoyl-sn-glycero-3-phosphoethanolamine, 14:0 LysoPE; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9547070 CH$LINK: INCHIKEY RPXHXZNGZBHSMJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002215; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoethanolamines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081511.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081511.txt index b52ba036125..cf76d8ea3d1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081511.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081511.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081511 -RECORD_TITLE: 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphoethanolamine, Phosphoethanolamine,1-Myristoyl-2-Hydroxy-sn-Glycero-3-, 1-tetradecanoyl-sn-glycero-3-phosphoethanolamine, 14:0 LysoPE; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Myristoyl-2-Hydroxy-sn-Glycero-3-Phosphoethanolamine, Phosphoethanolamine,1-Myristoyl-2-Hydroxy-sn-Glycero-3-, 1-tetradecanoyl-sn-glycero-3-phosphoethanolamine, 14:0 LysoPE; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9547070 CH$LINK: INCHIKEY RPXHXZNGZBHSMJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002215; Organic compounds; Lipids and lipid-like molecules; Glycerophospholipids; Glycerophosphoethanolamines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081701.txt index 07998fc07bc..536ee5f3317 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081701 -RECORD_TITLE: N-Octanoyl-D-erythro-sphingosine, Octanamide , D-erythro-N-Octanoylsphingosine, C8-Cer, octanoylamino-4-octadecene-1, 3-diol, Ceramide C8, N-Octanoylsphingosine, N-Octanoylsphingosine,D-erythro; LC-ESI-QQ; MS2 +RECORD_TITLE: N-Octanoyl-D-erythro-sphingosine, Octanamide , D-erythro-N-Octanoylsphingosine, C8-Cer, octanoylamino-4-octadecene-1, 3-diol, Ceramide C8, N-Octanoylsphingosine, N-Octanoylsphingosine,D-erythro; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5702614 CH$LINK: INCHIKEY APDLCSPGWPLYEQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001418; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Ceramides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081702.txt index 513996cd70b..b2c44027845 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081702 -RECORD_TITLE: N-Octanoyl-D-erythro-sphingosine, Octanamide , D-erythro-N-Octanoylsphingosine, C8-Cer, octanoylamino-4-octadecene-1, 3-diol, Ceramide C8, N-Octanoylsphingosine, N-Octanoylsphingosine,D-erythro; LC-ESI-QQ; MS2 +RECORD_TITLE: N-Octanoyl-D-erythro-sphingosine, Octanamide , D-erythro-N-Octanoylsphingosine, C8-Cer, octanoylamino-4-octadecene-1, 3-diol, Ceramide C8, N-Octanoylsphingosine, N-Octanoylsphingosine,D-erythro; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5702614 CH$LINK: INCHIKEY APDLCSPGWPLYEQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001418; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Ceramides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081703.txt index 8384673b9fb..2800430fbb4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081703 -RECORD_TITLE: N-Octanoyl-D-erythro-sphingosine, Octanamide , D-erythro-N-Octanoylsphingosine, C8-Cer, octanoylamino-4-octadecene-1, 3-diol, Ceramide C8, N-Octanoylsphingosine, N-Octanoylsphingosine,D-erythro; LC-ESI-QQ; MS2 +RECORD_TITLE: N-Octanoyl-D-erythro-sphingosine, Octanamide , D-erythro-N-Octanoylsphingosine, C8-Cer, octanoylamino-4-octadecene-1, 3-diol, Ceramide C8, N-Octanoylsphingosine, N-Octanoylsphingosine,D-erythro; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5702614 CH$LINK: INCHIKEY APDLCSPGWPLYEQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001418; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Ceramides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081704.txt index 50f6245e09d..04c68b80c9a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081704 -RECORD_TITLE: N-Octanoyl-D-erythro-sphingosine, Octanamide , D-erythro-N-Octanoylsphingosine, C8-Cer, octanoylamino-4-octadecene-1, 3-diol, Ceramide C8, N-Octanoylsphingosine, N-Octanoylsphingosine,D-erythro; LC-ESI-QQ; MS2 +RECORD_TITLE: N-Octanoyl-D-erythro-sphingosine, Octanamide , D-erythro-N-Octanoylsphingosine, C8-Cer, octanoylamino-4-octadecene-1, 3-diol, Ceramide C8, N-Octanoylsphingosine, N-Octanoylsphingosine,D-erythro; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5702614 CH$LINK: INCHIKEY APDLCSPGWPLYEQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001418; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Ceramides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081705.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081705.txt index a1b8713d28e..53caa8f37cc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081705.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081705 -RECORD_TITLE: N-Octanoyl-D-erythro-sphingosine, Octanamide , D-erythro-N-Octanoylsphingosine, C8-Cer, octanoylamino-4-octadecene-1, 3-diol, Ceramide C8, N-Octanoylsphingosine, N-Octanoylsphingosine,D-erythro; LC-ESI-QQ; MS2 +RECORD_TITLE: N-Octanoyl-D-erythro-sphingosine, Octanamide , D-erythro-N-Octanoylsphingosine, C8-Cer, octanoylamino-4-octadecene-1, 3-diol, Ceramide C8, N-Octanoylsphingosine, N-Octanoylsphingosine,D-erythro; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5702614 CH$LINK: INCHIKEY APDLCSPGWPLYEQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001418; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Ceramides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081901.txt index da510089dfc..f5fbbf66e9a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081901 -RECORD_TITLE: Sphinganine, C18-Dihydrosphingosine, safingol , Octadecasphinganine, 2-Amino-1,3-dihydroxyoctadecane, Dihydrosphingosine, D-erythro-Dihydrosphingosine, D-erythro-DHS; LC-ESI-QQ; MS2 +RECORD_TITLE: Sphinganine, C18-Dihydrosphingosine, safingol , Octadecasphinganine, 2-Amino-1,3-dihydroxyoctadecane, Dihydrosphingosine, D-erythro-Dihydrosphingosine, D-erythro-DHS; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:91486 CH$LINK: INCHIKEY OTKJDMGTUTTYMP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081902.txt index f82e64778a1..a3336a97184 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081902 -RECORD_TITLE: Sphinganine, C18-Dihydrosphingosine, safingol , Octadecasphinganine, 2-Amino-1,3-dihydroxyoctadecane, Dihydrosphingosine, D-erythro-Dihydrosphingosine, D-erythro-DHS; LC-ESI-QQ; MS2 +RECORD_TITLE: Sphinganine, C18-Dihydrosphingosine, safingol , Octadecasphinganine, 2-Amino-1,3-dihydroxyoctadecane, Dihydrosphingosine, D-erythro-Dihydrosphingosine, D-erythro-DHS; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:91486 CH$LINK: INCHIKEY OTKJDMGTUTTYMP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081903.txt index a86dfcca3af..67df477cecc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081903 -RECORD_TITLE: Sphinganine, C18-Dihydrosphingosine, safingol , Octadecasphinganine, 2-Amino-1,3-dihydroxyoctadecane, Dihydrosphingosine, D-erythro-Dihydrosphingosine, D-erythro-DHS; LC-ESI-QQ; MS2 +RECORD_TITLE: Sphinganine, C18-Dihydrosphingosine, safingol , Octadecasphinganine, 2-Amino-1,3-dihydroxyoctadecane, Dihydrosphingosine, D-erythro-Dihydrosphingosine, D-erythro-DHS; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:91486 CH$LINK: INCHIKEY OTKJDMGTUTTYMP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081904.txt index a8cf3233f7a..96754495807 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081904 -RECORD_TITLE: Sphinganine, C18-Dihydrosphingosine, safingol , Octadecasphinganine, 2-Amino-1,3-dihydroxyoctadecane, Dihydrosphingosine, D-erythro-Dihydrosphingosine, D-erythro-DHS; LC-ESI-QQ; MS2 +RECORD_TITLE: Sphinganine, C18-Dihydrosphingosine, safingol , Octadecasphinganine, 2-Amino-1,3-dihydroxyoctadecane, Dihydrosphingosine, D-erythro-Dihydrosphingosine, D-erythro-DHS; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:91486 CH$LINK: INCHIKEY OTKJDMGTUTTYMP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081905.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081905.txt index 5b2bc86eca6..5a6cffe09b7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081905.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081905 -RECORD_TITLE: Sphinganine, C18-Dihydrosphingosine, safingol , Octadecasphinganine, 2-Amino-1,3-dihydroxyoctadecane, Dihydrosphingosine, D-erythro-Dihydrosphingosine, D-erythro-DHS; LC-ESI-QQ; MS2 +RECORD_TITLE: Sphinganine, C18-Dihydrosphingosine, safingol , Octadecasphinganine, 2-Amino-1,3-dihydroxyoctadecane, Dihydrosphingosine, D-erythro-Dihydrosphingosine, D-erythro-DHS; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:91486 CH$LINK: INCHIKEY OTKJDMGTUTTYMP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081906.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081906.txt index 019cec0d736..a218e8a7d15 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081906.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS081906.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS081906 -RECORD_TITLE: Sphinganine, C18-Dihydrosphingosine, safingol , Octadecasphinganine, 2-Amino-1,3-dihydroxyoctadecane, Dihydrosphingosine, D-erythro-Dihydrosphingosine, D-erythro-DHS; LC-ESI-QQ; MS2 +RECORD_TITLE: Sphinganine, C18-Dihydrosphingosine, safingol , Octadecasphinganine, 2-Amino-1,3-dihydroxyoctadecane, Dihydrosphingosine, D-erythro-Dihydrosphingosine, D-erythro-DHS; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:91486 CH$LINK: INCHIKEY OTKJDMGTUTTYMP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082001.txt index 93d5022d39e..6b5dce6ca47 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS082001 -RECORD_TITLE: D-Glucosyl-beta1-1'-D-erythoro-Sphingosine, D-Glucosylsphingosine; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Glucosyl-beta1-1'-D-erythoro-Sphingosine, D-Glucosylsphingosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5280570 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003258; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Glycosphingolipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082002.txt index 94301a67f31..581b557f844 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS082002 -RECORD_TITLE: D-Glucosyl-beta1-1'-D-erythoro-Sphingosine, D-Glucosylsphingosine; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Glucosyl-beta1-1'-D-erythoro-Sphingosine, D-Glucosylsphingosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5280570 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003258; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Glycosphingolipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082003.txt index 8e72f8b062f..d37b9ef3883 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS082003 -RECORD_TITLE: D-Glucosyl-beta1-1'-D-erythoro-Sphingosine, D-Glucosylsphingosine; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Glucosyl-beta1-1'-D-erythoro-Sphingosine, D-Glucosylsphingosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5280570 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003258; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Glycosphingolipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082004.txt index 6c079909891..8bb82d905dd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS082004 -RECORD_TITLE: D-Glucosyl-beta1-1'-D-erythoro-Sphingosine, D-Glucosylsphingosine; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Glucosyl-beta1-1'-D-erythoro-Sphingosine, D-Glucosylsphingosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5280570 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003258; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Glycosphingolipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082005.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082005.txt index 03ec060824c..4a407d65c1e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082005.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS082005 -RECORD_TITLE: D-Glucosyl-beta1-1'-D-erythoro-Sphingosine, D-Glucosylsphingosine; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Glucosyl-beta1-1'-D-erythoro-Sphingosine, D-Glucosylsphingosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5280570 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003258; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Glycosphingolipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082006.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082006.txt index 3d9ab0c3d86..814636f7a8f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082006.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082006.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS082006 -RECORD_TITLE: D-Glucosyl-beta1-1'-D-erythoro-Sphingosine, D-Glucosylsphingosine; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Glucosyl-beta1-1'-D-erythoro-Sphingosine, D-Glucosylsphingosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5280570 CH$LINK: INCHIKEY HHJTWTPUPVQKNA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003258; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Glycosphingolipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082101.txt index 8c9d641759c..b8f572eb78e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS082101 -RECORD_TITLE: N-(hexadecanoyl)-sphing-4-enine, (2S,3R,4E)-2-palmitoylaminooctadec-4-ene-1,3-diol, N-Palmitoyl-D-erythro-Sphingosine, D-erythro-N-palmitoylsphingosine, N-palmitoylsphingosine , C16-Cer, C16 Ceramide, (2S,3R,4E)-2-palmitoylamino-1,3-octadec-4-enediol; LC-ESI-QQ; MS2 +RECORD_TITLE: N-(hexadecanoyl)-sphing-4-enine, (2S,3R,4E)-2-palmitoylaminooctadec-4-ene-1,3-diol, N-Palmitoyl-D-erythro-Sphingosine, D-erythro-N-palmitoylsphingosine, N-palmitoylsphingosine , C16-Cer, C16 Ceramide, (2S,3R,4E)-2-palmitoylamino-1,3-octadec-4-enediol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5283564 CH$LINK: INCHIKEY YDNKGFDKKRUKPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001418; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Ceramides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082102.txt index f7277c763f6..b6d403a4d68 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS082102 -RECORD_TITLE: N-(hexadecanoyl)-sphing-4-enine, (2S,3R,4E)-2-palmitoylaminooctadec-4-ene-1,3-diol, N-Palmitoyl-D-erythro-Sphingosine, D-erythro-N-palmitoylsphingosine, N-palmitoylsphingosine , C16-Cer, C16 Ceramide, (2S,3R,4E)-2-palmitoylamino-1,3-octadec-4-enediol; LC-ESI-QQ; MS2 +RECORD_TITLE: N-(hexadecanoyl)-sphing-4-enine, (2S,3R,4E)-2-palmitoylaminooctadec-4-ene-1,3-diol, N-Palmitoyl-D-erythro-Sphingosine, D-erythro-N-palmitoylsphingosine, N-palmitoylsphingosine , C16-Cer, C16 Ceramide, (2S,3R,4E)-2-palmitoylamino-1,3-octadec-4-enediol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5283564 CH$LINK: INCHIKEY YDNKGFDKKRUKPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001418; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Ceramides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082103.txt index 548466ca32f..4ae6370131b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS082103 -RECORD_TITLE: N-(hexadecanoyl)-sphing-4-enine, (2S,3R,4E)-2-palmitoylaminooctadec-4-ene-1,3-diol, N-Palmitoyl-D-erythro-Sphingosine, D-erythro-N-palmitoylsphingosine, N-palmitoylsphingosine , C16-Cer, C16 Ceramide, (2S,3R,4E)-2-palmitoylamino-1,3-octadec-4-enediol; LC-ESI-QQ; MS2 +RECORD_TITLE: N-(hexadecanoyl)-sphing-4-enine, (2S,3R,4E)-2-palmitoylaminooctadec-4-ene-1,3-diol, N-Palmitoyl-D-erythro-Sphingosine, D-erythro-N-palmitoylsphingosine, N-palmitoylsphingosine , C16-Cer, C16 Ceramide, (2S,3R,4E)-2-palmitoylamino-1,3-octadec-4-enediol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5283564 CH$LINK: INCHIKEY YDNKGFDKKRUKPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001418; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Ceramides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082104.txt index 5ebb0de4538..58b3f0baa16 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS082104 -RECORD_TITLE: N-(hexadecanoyl)-sphing-4-enine, (2S,3R,4E)-2-palmitoylaminooctadec-4-ene-1,3-diol, N-Palmitoyl-D-erythro-Sphingosine, D-erythro-N-palmitoylsphingosine, N-palmitoylsphingosine , C16-Cer, C16 Ceramide, (2S,3R,4E)-2-palmitoylamino-1,3-octadec-4-enediol; LC-ESI-QQ; MS2 +RECORD_TITLE: N-(hexadecanoyl)-sphing-4-enine, (2S,3R,4E)-2-palmitoylaminooctadec-4-ene-1,3-diol, N-Palmitoyl-D-erythro-Sphingosine, D-erythro-N-palmitoylsphingosine, N-palmitoylsphingosine , C16-Cer, C16 Ceramide, (2S,3R,4E)-2-palmitoylamino-1,3-octadec-4-enediol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5283564 CH$LINK: INCHIKEY YDNKGFDKKRUKPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001418; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Ceramides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082105.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082105.txt index 31e2a6c831e..733601fdfa7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082105.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS082105 -RECORD_TITLE: N-(hexadecanoyl)-sphing-4-enine, (2S,3R,4E)-2-palmitoylaminooctadec-4-ene-1,3-diol, N-Palmitoyl-D-erythro-Sphingosine, D-erythro-N-palmitoylsphingosine, N-palmitoylsphingosine , C16-Cer, C16 Ceramide, (2S,3R,4E)-2-palmitoylamino-1,3-octadec-4-enediol; LC-ESI-QQ; MS2 +RECORD_TITLE: N-(hexadecanoyl)-sphing-4-enine, (2S,3R,4E)-2-palmitoylaminooctadec-4-ene-1,3-diol, N-Palmitoyl-D-erythro-Sphingosine, D-erythro-N-palmitoylsphingosine, N-palmitoylsphingosine , C16-Cer, C16 Ceramide, (2S,3R,4E)-2-palmitoylamino-1,3-octadec-4-enediol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5283564 CH$LINK: INCHIKEY YDNKGFDKKRUKPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001418; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Ceramides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082106.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082106.txt index 6937d3bdac4..20d76415569 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082106.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS082106 -RECORD_TITLE: N-(hexadecanoyl)-sphing-4-enine, (2S,3R,4E)-2-palmitoylaminooctadec-4-ene-1,3-diol, N-Palmitoyl-D-erythro-Sphingosine, D-erythro-N-palmitoylsphingosine, N-palmitoylsphingosine , C16-Cer, C16 Ceramide, (2S,3R,4E)-2-palmitoylamino-1,3-octadec-4-enediol; LC-ESI-QQ; MS2 +RECORD_TITLE: N-(hexadecanoyl)-sphing-4-enine, (2S,3R,4E)-2-palmitoylaminooctadec-4-ene-1,3-diol, N-Palmitoyl-D-erythro-Sphingosine, D-erythro-N-palmitoylsphingosine, N-palmitoylsphingosine , C16-Cer, C16 Ceramide, (2S,3R,4E)-2-palmitoylamino-1,3-octadec-4-enediol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5283564 CH$LINK: INCHIKEY YDNKGFDKKRUKPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001418; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Ceramides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082203.txt index 92cf2a1b255..b7f8a5ab1c9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS082203 -RECORD_TITLE: Sphingosine-1-Phosphate, Sphing-4-enine-1-phosphate, D-erythro-Sphingosine-1-phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: Sphingosine-1-Phosphate, Sphing-4-enine-1-phosphate, D-erythro-Sphingosine-1-phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5283560 CH$LINK: INCHIKEY DUYSYHSSBDVJSM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003392; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Phosphosphingolipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082301.txt index 731c7d1c3b1..66fd564d6ad 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS082301 -RECORD_TITLE: N-(octadecanoyl)-sphing-4-enine, C18 Ceramide, (2S,3R,4E)-2-stearoylamino-1,3-octadec-4-enediol, (2S,3R,4E)-2-stearoylaminooctadec-4-ene-1,3-diol, N-((2S,3R,E)-1,3-dihydroxyoctadec-4-en-2-yl)stearamide, N-Stearoyl-D-erythro-Sphingosine; LC-ESI-QQ; MS2 +RECORD_TITLE: N-(octadecanoyl)-sphing-4-enine, C18 Ceramide, (2S,3R,4E)-2-stearoylamino-1,3-octadec-4-enediol, (2S,3R,4E)-2-stearoylaminooctadec-4-ene-1,3-diol, N-((2S,3R,E)-1,3-dihydroxyoctadec-4-en-2-yl)stearamide, N-Stearoyl-D-erythro-Sphingosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5283565 CH$LINK: INCHIKEY VODZWWMEJITOND-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001418; Organic compounds; Lipids and lipid-like molecules; Sphingolipids; Ceramides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082401.txt index bce175c24c0..dae4058d081 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS082401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS082401 -RECORD_TITLE: 12-Oxo-10,15(Z)-Phytodienoic Acid, 8-(2-(cis-2'-pentenyl)-3-oxo-cis-4-cyclopentenyl)octanoic acid, 12-oxophytodienoate, 12-oxo-phytodienoic acid, 12-oxo-PDA, o-Phytodienoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 12-Oxo-10,15(Z)-Phytodienoic Acid, 8-(2-(cis-2'-pentenyl)-3-oxo-cis-4-cyclopentenyl)octanoic acid, 12-oxophytodienoate, 12-oxo-phytodienoic acid, 12-oxo-PDA, o-Phytodienoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5282268 CH$LINK: INCHIKEY PMTMAFAPLCGXGK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000513; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084101.txt index 20e73140111..8d1239a2622 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084101 -RECORD_TITLE: Buddleoflavonol, 4'-Methoxy-5,7-dihydroxyflavone, Acac, Apisenin 4'-methyl ether, acacetin, 4'-Methoxyapigenin, Methyl-4'-Apigenin, 5,7-Dihydroxy-4'-methoxyflavone, Apigenin-4'-methylether, Linarigenin, 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone, Linarisenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Buddleoflavonol, 4'-Methoxy-5,7-dihydroxyflavone, Acac, Apisenin 4'-methyl ether, acacetin, 4'-Methoxyapigenin, Methyl-4'-Apigenin, 5,7-Dihydroxy-4'-methoxyflavone, Apigenin-4'-methylether, Linarigenin, 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone, Linarisenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:5280442 CH$LINK: INCHIKEY DANYIYRPLHHOCZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084102.txt index a201b392d78..d600a3d7a9c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084102 -RECORD_TITLE: Buddleoflavonol, 4'-Methoxy-5,7-dihydroxyflavone, Acac, Apisenin 4'-methyl ether, acacetin, 4'-Methoxyapigenin, Methyl-4'-Apigenin, 5,7-Dihydroxy-4'-methoxyflavone, Apigenin-4'-methylether, Linarigenin, 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone, Linarisenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Buddleoflavonol, 4'-Methoxy-5,7-dihydroxyflavone, Acac, Apisenin 4'-methyl ether, acacetin, 4'-Methoxyapigenin, Methyl-4'-Apigenin, 5,7-Dihydroxy-4'-methoxyflavone, Apigenin-4'-methylether, Linarigenin, 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone, Linarisenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:5280442 CH$LINK: INCHIKEY DANYIYRPLHHOCZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084103.txt index 0f0b170100f..a47cdc20fe8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084103 -RECORD_TITLE: Buddleoflavonol, 4'-Methoxy-5,7-dihydroxyflavone, Acac, Apisenin 4'-methyl ether, acacetin, 4'-Methoxyapigenin, Methyl-4'-Apigenin, 5,7-Dihydroxy-4'-methoxyflavone, Apigenin-4'-methylether, Linarigenin, 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone, Linarisenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Buddleoflavonol, 4'-Methoxy-5,7-dihydroxyflavone, Acac, Apisenin 4'-methyl ether, acacetin, 4'-Methoxyapigenin, Methyl-4'-Apigenin, 5,7-Dihydroxy-4'-methoxyflavone, Apigenin-4'-methylether, Linarigenin, 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone, Linarisenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:5280442 CH$LINK: INCHIKEY DANYIYRPLHHOCZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084104.txt index 2bdc079606c..ec82c237353 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084104 -RECORD_TITLE: Buddleoflavonol, 4'-Methoxy-5,7-dihydroxyflavone, Acac, Apisenin 4'-methyl ether, acacetin, 4'-Methoxyapigenin, Methyl-4'-Apigenin, 5,7-Dihydroxy-4'-methoxyflavone, Apigenin-4'-methylether, Linarigenin, 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone, Linarisenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Buddleoflavonol, 4'-Methoxy-5,7-dihydroxyflavone, Acac, Apisenin 4'-methyl ether, acacetin, 4'-Methoxyapigenin, Methyl-4'-Apigenin, 5,7-Dihydroxy-4'-methoxyflavone, Apigenin-4'-methylether, Linarigenin, 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone, Linarisenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:5280442 CH$LINK: INCHIKEY DANYIYRPLHHOCZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084105.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084105.txt index 7b0364d9c30..c4cd4cb5d4f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084105.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084105 -RECORD_TITLE: Buddleoflavonol, 4'-Methoxy-5,7-dihydroxyflavone, Acac, Apisenin 4'-methyl ether, acacetin, 4'-Methoxyapigenin, Methyl-4'-Apigenin, 5,7-Dihydroxy-4'-methoxyflavone, Apigenin-4'-methylether, Linarigenin, 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone, Linarisenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Buddleoflavonol, 4'-Methoxy-5,7-dihydroxyflavone, Acac, Apisenin 4'-methyl ether, acacetin, 4'-Methoxyapigenin, Methyl-4'-Apigenin, 5,7-Dihydroxy-4'-methoxyflavone, Apigenin-4'-methylether, Linarigenin, 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone, Linarisenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:5280442 CH$LINK: INCHIKEY DANYIYRPLHHOCZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084107.txt index b81a8fd75b4..34197337ff9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084107 -RECORD_TITLE: Buddleoflavonol, 4'-Methoxy-5,7-dihydroxyflavone, Acac, Apisenin 4'-methyl ether, acacetin, 4'-Methoxyapigenin, Methyl-4'-Apigenin, 5,7-Dihydroxy-4'-methoxyflavone, Apigenin-4'-methylether, Linarigenin, 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone, Linarisenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Buddleoflavonol, 4'-Methoxy-5,7-dihydroxyflavone, Acac, Apisenin 4'-methyl ether, acacetin, 4'-Methoxyapigenin, Methyl-4'-Apigenin, 5,7-Dihydroxy-4'-methoxyflavone, Apigenin-4'-methylether, Linarigenin, 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone, Linarisenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:5280442 CH$LINK: INCHIKEY DANYIYRPLHHOCZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084108.txt index aa3ac14ec68..33f188124cf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084108 -RECORD_TITLE: Buddleoflavonol, 4'-Methoxy-5,7-dihydroxyflavone, Acac, Apisenin 4'-methyl ether, acacetin, 4'-Methoxyapigenin, Methyl-4'-Apigenin, 5,7-Dihydroxy-4'-methoxyflavone, Apigenin-4'-methylether, Linarigenin, 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone, Linarisenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Buddleoflavonol, 4'-Methoxy-5,7-dihydroxyflavone, Acac, Apisenin 4'-methyl ether, acacetin, 4'-Methoxyapigenin, Methyl-4'-Apigenin, 5,7-Dihydroxy-4'-methoxyflavone, Apigenin-4'-methylether, Linarigenin, 5,7-Dihydroxy-2-(4-methoxyphenyl)-4-benzopyrone, Linarisenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:5280442 CH$LINK: INCHIKEY DANYIYRPLHHOCZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084201.txt index 5ea761fa2d8..2f2a6df502e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084201 -RECORD_TITLE: Datc-3-Glc-6pp-Rha, Datiscin, datiscetin-3-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Datc-3-Glc-6pp-Rha, Datiscin, datiscetin-3-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5883291 CH$LINK: INCHIKEY BJJCTXDEJUWVIC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084202.txt index 70d47dbc9c6..1767ca765c1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084202 -RECORD_TITLE: Datc-3-Glc-6pp-Rha, Datiscin, datiscetin-3-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Datc-3-Glc-6pp-Rha, Datiscin, datiscetin-3-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5883291 CH$LINK: INCHIKEY BJJCTXDEJUWVIC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084203.txt index f5f7a6bb69d..8c04a041f11 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084203 -RECORD_TITLE: Datc-3-Glc-6pp-Rha, Datiscin, datiscetin-3-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Datc-3-Glc-6pp-Rha, Datiscin, datiscetin-3-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5883291 CH$LINK: INCHIKEY BJJCTXDEJUWVIC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084204.txt index a74c4d918ea..c494c0d90d8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084204 -RECORD_TITLE: Datc-3-Glc-6pp-Rha, Datiscin, datiscetin-3-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Datc-3-Glc-6pp-Rha, Datiscin, datiscetin-3-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5883291 CH$LINK: INCHIKEY BJJCTXDEJUWVIC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084205.txt index cdf58e9d1b8..919146dbd90 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084205 -RECORD_TITLE: Datc-3-Glc-6pp-Rha, Datiscin, datiscetin-3-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Datc-3-Glc-6pp-Rha, Datiscin, datiscetin-3-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5883291 CH$LINK: INCHIKEY BJJCTXDEJUWVIC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084206.txt index bcc206e7916..dbabab3b456 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084206 -RECORD_TITLE: Datc-3-Glc-6pp-Rha, Datiscin, datiscetin-3-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Datc-3-Glc-6pp-Rha, Datiscin, datiscetin-3-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5883291 CH$LINK: INCHIKEY BJJCTXDEJUWVIC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084207.txt index 8a346354a6f..62e27416d41 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084207 -RECORD_TITLE: Datc-3-Glc-6pp-Rha, Datiscin, datiscetin-3-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Datc-3-Glc-6pp-Rha, Datiscin, datiscetin-3-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5883291 CH$LINK: INCHIKEY BJJCTXDEJUWVIC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084208.txt index a37aaff46f9..c7438c561b0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084208 -RECORD_TITLE: Datc-3-Glc-6pp-Rha, Datiscin, datiscetin-3-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Datc-3-Glc-6pp-Rha, Datiscin, datiscetin-3-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5883291 CH$LINK: INCHIKEY BJJCTXDEJUWVIC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084209.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084209.txt index 1feb39dfa86..fa552a4daf1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084209.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084209 -RECORD_TITLE: Datc-3-Glc-6pp-Rha, Datiscin, datiscetin-3-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Datc-3-Glc-6pp-Rha, Datiscin, datiscetin-3-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5883291 CH$LINK: INCHIKEY BJJCTXDEJUWVIC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084210.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084210.txt index e332211401c..3d4ff2a4556 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084210.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084210.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084210 -RECORD_TITLE: Datc-3-Glc-6pp-Rha, Datiscin, datiscetin-3-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Datc-3-Glc-6pp-Rha, Datiscin, datiscetin-3-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5883291 CH$LINK: INCHIKEY BJJCTXDEJUWVIC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084211.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084211.txt index 67e8eccd54b..be2b6df2019 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084211.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084211.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084211 -RECORD_TITLE: Datc-3-Glc-6pp-Rha, Datiscin, datiscetin-3-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Datc-3-Glc-6pp-Rha, Datiscin, datiscetin-3-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5883291 CH$LINK: INCHIKEY BJJCTXDEJUWVIC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084212.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084212.txt index 1f14ff92a85..cc2d0cb94a0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084212.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084212.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084212 -RECORD_TITLE: Datc-3-Glc-6pp-Rha, Datiscin, datiscetin-3-O-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Datc-3-Glc-6pp-Rha, Datiscin, datiscetin-3-O-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5883291 CH$LINK: INCHIKEY BJJCTXDEJUWVIC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084307.txt index 604a0df5e67..84b8465af65 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084307 -RECORD_TITLE: Depz-pl, 4-deoxyphloridzin; LC-ESI-QQ; MS2 +RECORD_TITLE: Depz-pl, 4-deoxyphloridzin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -23,7 +23,7 @@ CH$LINK: PUBCHEM CID:5080434 CH$LINK: INCHIKEY NLGUKXQDDTZCDG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084308.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084308.txt index 2d8b0d11741..120cee885ee 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084308.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084308.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084308 -RECORD_TITLE: Depz-pl, 4-deoxyphloridzin; LC-ESI-QQ; MS2 +RECORD_TITLE: Depz-pl, 4-deoxyphloridzin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -23,7 +23,7 @@ CH$LINK: PUBCHEM CID:5080434 CH$LINK: INCHIKEY NLGUKXQDDTZCDG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084309.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084309.txt index 8123eb0d094..9b777711a39 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084309.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084309.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084309 -RECORD_TITLE: Depz-pl, 4-deoxyphloridzin; LC-ESI-QQ; MS2 +RECORD_TITLE: Depz-pl, 4-deoxyphloridzin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -23,7 +23,7 @@ CH$LINK: PUBCHEM CID:5080434 CH$LINK: INCHIKEY NLGUKXQDDTZCDG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084310.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084310.txt index 844633e8206..a52f7186e69 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084310.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084310.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084310 -RECORD_TITLE: Depz-pl, 4-deoxyphloridzin; LC-ESI-QQ; MS2 +RECORD_TITLE: Depz-pl, 4-deoxyphloridzin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -23,7 +23,7 @@ CH$LINK: PUBCHEM CID:5080434 CH$LINK: INCHIKEY NLGUKXQDDTZCDG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084311.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084311.txt index 6fe2efd109f..9e7b72c321e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084311.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084311.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084311 -RECORD_TITLE: Depz-pl, 4-deoxyphloridzin; LC-ESI-QQ; MS2 +RECORD_TITLE: Depz-pl, 4-deoxyphloridzin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -23,7 +23,7 @@ CH$LINK: PUBCHEM CID:5080434 CH$LINK: INCHIKEY NLGUKXQDDTZCDG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084312.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084312.txt index 6eb14b0ab64..f3d7accff57 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084312.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084312.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084312 -RECORD_TITLE: Depz-pl, 4-deoxyphloridzin; LC-ESI-QQ; MS2 +RECORD_TITLE: Depz-pl, 4-deoxyphloridzin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -23,7 +23,7 @@ CH$LINK: PUBCHEM CID:5080434 CH$LINK: INCHIKEY NLGUKXQDDTZCDG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084501.txt index c71b341b942..a01c57a5335 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084501 -RECORD_TITLE: Barosmin, Diosmetin-7-Rutinoside, Diosmin, 3',5,7-Trihydroxy-4'-methoxyflavone 7-Rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Barosmin, Diosmetin-7-Rutinoside, Diosmin, 3',5,7-Trihydroxy-4'-methoxyflavone 7-Rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5281613 CH$LINK: INCHIKEY GZSOSUNBTXMUFQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084502.txt index d3abdcabc20..cf697cfb85b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084502 -RECORD_TITLE: Barosmin, Diosmetin-7-Rutinoside, Diosmin, 3',5,7-Trihydroxy-4'-methoxyflavone 7-Rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Barosmin, Diosmetin-7-Rutinoside, Diosmin, 3',5,7-Trihydroxy-4'-methoxyflavone 7-Rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5281613 CH$LINK: INCHIKEY GZSOSUNBTXMUFQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084503.txt index 60685107042..3dd47365084 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084503 -RECORD_TITLE: Barosmin, Diosmetin-7-Rutinoside, Diosmin, 3',5,7-Trihydroxy-4'-methoxyflavone 7-Rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Barosmin, Diosmetin-7-Rutinoside, Diosmin, 3',5,7-Trihydroxy-4'-methoxyflavone 7-Rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5281613 CH$LINK: INCHIKEY GZSOSUNBTXMUFQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084504.txt index bd59ff596e6..19dd133457e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084504 -RECORD_TITLE: Barosmin, Diosmetin-7-Rutinoside, Diosmin, 3',5,7-Trihydroxy-4'-methoxyflavone 7-Rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Barosmin, Diosmetin-7-Rutinoside, Diosmin, 3',5,7-Trihydroxy-4'-methoxyflavone 7-Rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5281613 CH$LINK: INCHIKEY GZSOSUNBTXMUFQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084505.txt index a52f7e1686a..97a1bc7e230 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084505 -RECORD_TITLE: Barosmin, Diosmetin-7-Rutinoside, Diosmin, 3',5,7-Trihydroxy-4'-methoxyflavone 7-Rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Barosmin, Diosmetin-7-Rutinoside, Diosmin, 3',5,7-Trihydroxy-4'-methoxyflavone 7-Rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5281613 CH$LINK: INCHIKEY GZSOSUNBTXMUFQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084506.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084506.txt index cafaec88a09..f35f05c009a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084506.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084506 -RECORD_TITLE: Barosmin, Diosmetin-7-Rutinoside, Diosmin, 3',5,7-Trihydroxy-4'-methoxyflavone 7-Rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Barosmin, Diosmetin-7-Rutinoside, Diosmin, 3',5,7-Trihydroxy-4'-methoxyflavone 7-Rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5281613 CH$LINK: INCHIKEY GZSOSUNBTXMUFQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084601.txt index 57f72b4be39..3e26b2abece 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084601 -RECORD_TITLE: isookanin-7-glucoside, Flavanomarein, iso-Okanin-7-glucoside, 3',4',7,8-Tetrahydroxyflavanone-7-O-glucoside, iOkn-7-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: isookanin-7-glucoside, Flavanomarein, iso-Okanin-7-glucoside, 3',4',7,8-Tetrahydroxyflavanone-7-O-glucoside, iOkn-7-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:101781 CH$LINK: INCHIKEY DGGOLFCPSUVVHX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084602.txt index 700f63d340b..3959427fb6c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084602 -RECORD_TITLE: isookanin-7-glucoside, Flavanomarein, iso-Okanin-7-glucoside, 3',4',7,8-Tetrahydroxyflavanone-7-O-glucoside, iOkn-7-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: isookanin-7-glucoside, Flavanomarein, iso-Okanin-7-glucoside, 3',4',7,8-Tetrahydroxyflavanone-7-O-glucoside, iOkn-7-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:101781 CH$LINK: INCHIKEY DGGOLFCPSUVVHX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084603.txt index 36c93eba31f..1751bd798e5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084603 -RECORD_TITLE: isookanin-7-glucoside, Flavanomarein, iso-Okanin-7-glucoside, 3',4',7,8-Tetrahydroxyflavanone-7-O-glucoside, iOkn-7-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: isookanin-7-glucoside, Flavanomarein, iso-Okanin-7-glucoside, 3',4',7,8-Tetrahydroxyflavanone-7-O-glucoside, iOkn-7-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:101781 CH$LINK: INCHIKEY DGGOLFCPSUVVHX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084604.txt index 160afce834c..08476f9a282 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084604 -RECORD_TITLE: isookanin-7-glucoside, Flavanomarein, iso-Okanin-7-glucoside, 3',4',7,8-Tetrahydroxyflavanone-7-O-glucoside, iOkn-7-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: isookanin-7-glucoside, Flavanomarein, iso-Okanin-7-glucoside, 3',4',7,8-Tetrahydroxyflavanone-7-O-glucoside, iOkn-7-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:101781 CH$LINK: INCHIKEY DGGOLFCPSUVVHX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084607.txt index e91ded2617c..cbc6c5bc71e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084607 -RECORD_TITLE: isookanin-7-glucoside, Flavanomarein, iso-Okanin-7-glucoside, 3',4',7,8-Tetrahydroxyflavanone-7-O-glucoside, iOkn-7-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: isookanin-7-glucoside, Flavanomarein, iso-Okanin-7-glucoside, 3',4',7,8-Tetrahydroxyflavanone-7-O-glucoside, iOkn-7-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:101781 CH$LINK: INCHIKEY DGGOLFCPSUVVHX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084608.txt index c52f9ac05d6..3abc78f8bda 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084608 -RECORD_TITLE: isookanin-7-glucoside, Flavanomarein, iso-Okanin-7-glucoside, 3',4',7,8-Tetrahydroxyflavanone-7-O-glucoside, iOkn-7-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: isookanin-7-glucoside, Flavanomarein, iso-Okanin-7-glucoside, 3',4',7,8-Tetrahydroxyflavanone-7-O-glucoside, iOkn-7-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:101781 CH$LINK: INCHIKEY DGGOLFCPSUVVHX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084609.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084609.txt index 6e08bd25a69..fc789114354 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084609.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084609.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084609 -RECORD_TITLE: isookanin-7-glucoside, Flavanomarein, iso-Okanin-7-glucoside, 3',4',7,8-Tetrahydroxyflavanone-7-O-glucoside, iOkn-7-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: isookanin-7-glucoside, Flavanomarein, iso-Okanin-7-glucoside, 3',4',7,8-Tetrahydroxyflavanone-7-O-glucoside, iOkn-7-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:101781 CH$LINK: INCHIKEY DGGOLFCPSUVVHX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084610.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084610.txt index dda50a4a02f..9a1256dc6a7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084610.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084610.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084610 -RECORD_TITLE: isookanin-7-glucoside, Flavanomarein, iso-Okanin-7-glucoside, 3',4',7,8-Tetrahydroxyflavanone-7-O-glucoside, iOkn-7-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: isookanin-7-glucoside, Flavanomarein, iso-Okanin-7-glucoside, 3',4',7,8-Tetrahydroxyflavanone-7-O-glucoside, iOkn-7-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:101781 CH$LINK: INCHIKEY DGGOLFCPSUVVHX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084611.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084611.txt index e9855c62fff..a570520fb20 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084611.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084611.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084611 -RECORD_TITLE: isookanin-7-glucoside, Flavanomarein, iso-Okanin-7-glucoside, 3',4',7,8-Tetrahydroxyflavanone-7-O-glucoside, iOkn-7-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: isookanin-7-glucoside, Flavanomarein, iso-Okanin-7-glucoside, 3',4',7,8-Tetrahydroxyflavanone-7-O-glucoside, iOkn-7-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:101781 CH$LINK: INCHIKEY DGGOLFCPSUVVHX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084612.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084612.txt index ef67a83f6c9..2e0db9239ef 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084612.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084612.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084612 -RECORD_TITLE: isookanin-7-glucoside, Flavanomarein, iso-Okanin-7-glucoside, 3',4',7,8-Tetrahydroxyflavanone-7-O-glucoside, iOkn-7-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: isookanin-7-glucoside, Flavanomarein, iso-Okanin-7-glucoside, 3',4',7,8-Tetrahydroxyflavanone-7-O-glucoside, iOkn-7-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:101781 CH$LINK: INCHIKEY DGGOLFCPSUVVHX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084701.txt index cd3562643c0..b0e41f44b90 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084701 -RECORD_TITLE: Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5317385 CH$LINK: INCHIKEY MLWDGPFGTFOLRJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084702.txt index 9cc0711ed75..00455240ea3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084702 -RECORD_TITLE: Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5317385 CH$LINK: INCHIKEY MLWDGPFGTFOLRJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084703.txt index 5ddd604ad9e..d50e2c144a8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084703 -RECORD_TITLE: Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5317385 CH$LINK: INCHIKEY MLWDGPFGTFOLRJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084704.txt index e5720948758..b083145e24d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084704 -RECORD_TITLE: Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5317385 CH$LINK: INCHIKEY MLWDGPFGTFOLRJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084705.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084705.txt index 21a4f070b40..0f212ac1178 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084705.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084705 -RECORD_TITLE: Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5317385 CH$LINK: INCHIKEY MLWDGPFGTFOLRJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084706.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084706.txt index 9f00f3a75c4..9c7f444ac52 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084706.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084706.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084706 -RECORD_TITLE: Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5317385 CH$LINK: INCHIKEY MLWDGPFGTFOLRJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084707.txt index fd1ac697d54..9244a2e7ae1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084707 -RECORD_TITLE: Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5317385 CH$LINK: INCHIKEY MLWDGPFGTFOLRJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084708.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084708.txt index 3e4aac5e1d0..a6a6f6aff3e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084708.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084708 -RECORD_TITLE: Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5317385 CH$LINK: INCHIKEY MLWDGPFGTFOLRJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084709.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084709.txt index 9be35962d00..797568809a8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084709.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084709.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084709 -RECORD_TITLE: Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5317385 CH$LINK: INCHIKEY MLWDGPFGTFOLRJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084710.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084710.txt index 9bf23e7dc34..43bd45c8d22 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084710.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084710.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084710 -RECORD_TITLE: Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5317385 CH$LINK: INCHIKEY MLWDGPFGTFOLRJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084711.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084711.txt index 4c0c87fa38b..7cdda817a83 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084711.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084711.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084711 -RECORD_TITLE: Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5317385 CH$LINK: INCHIKEY MLWDGPFGTFOLRJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084712.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084712.txt index ea476a9340d..c17bfd469d5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084712.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084712.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084712 -RECORD_TITLE: Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Fortunellin, Acac-7-Glc-2pp-Man, acacetin-7-O-neohesperidoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5317385 CH$LINK: INCHIKEY MLWDGPFGTFOLRJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084801.txt index 4759cf206e3..04905d22f6c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084801 -RECORD_TITLE: 3,5,7,8,3',4'-Hexahydroxyflavone-8-glucoside, Gosp-8-Glc, gossypetin-8-glucoside, 3,5,7,3',4'-Pentahydroxy-8-O-glucosylflavone, Gossypin; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,5,7,8,3',4'-Hexahydroxyflavone-8-glucoside, Gosp-8-Glc, gossypetin-8-glucoside, 3,5,7,3',4'-Pentahydroxy-8-O-glucosylflavone, Gossypin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5281621 CH$LINK: INCHIKEY SJRXVLUZMMDCNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084802.txt index 652776f5af9..7a9d2fbb8df 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084802 -RECORD_TITLE: 3,5,7,8,3',4'-Hexahydroxyflavone-8-glucoside, Gosp-8-Glc, gossypetin-8-glucoside, 3,5,7,3',4'-Pentahydroxy-8-O-glucosylflavone, Gossypin; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,5,7,8,3',4'-Hexahydroxyflavone-8-glucoside, Gosp-8-Glc, gossypetin-8-glucoside, 3,5,7,3',4'-Pentahydroxy-8-O-glucosylflavone, Gossypin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5281621 CH$LINK: INCHIKEY SJRXVLUZMMDCNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084804.txt index 47d3ee01f8c..88855799a0a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084804 -RECORD_TITLE: 3,5,7,8,3',4'-Hexahydroxyflavone-8-glucoside, Gosp-8-Glc, gossypetin-8-glucoside, 3,5,7,3',4'-Pentahydroxy-8-O-glucosylflavone, Gossypin; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,5,7,8,3',4'-Hexahydroxyflavone-8-glucoside, Gosp-8-Glc, gossypetin-8-glucoside, 3,5,7,3',4'-Pentahydroxy-8-O-glucosylflavone, Gossypin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5281621 CH$LINK: INCHIKEY SJRXVLUZMMDCNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084805.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084805.txt index 3e9a4baa32f..242019e8db3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084805.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084805 -RECORD_TITLE: 3,5,7,8,3',4'-Hexahydroxyflavone-8-glucoside, Gosp-8-Glc, gossypetin-8-glucoside, 3,5,7,3',4'-Pentahydroxy-8-O-glucosylflavone, Gossypin; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,5,7,8,3',4'-Hexahydroxyflavone-8-glucoside, Gosp-8-Glc, gossypetin-8-glucoside, 3,5,7,3',4'-Pentahydroxy-8-O-glucosylflavone, Gossypin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5281621 CH$LINK: INCHIKEY SJRXVLUZMMDCNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084806.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084806.txt index 97673e08c0c..f1974dca57f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084806.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084806.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084806 -RECORD_TITLE: 3,5,7,8,3',4'-Hexahydroxyflavone-8-glucoside, Gosp-8-Glc, gossypetin-8-glucoside, 3,5,7,3',4'-Pentahydroxy-8-O-glucosylflavone, Gossypin; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,5,7,8,3',4'-Hexahydroxyflavone-8-glucoside, Gosp-8-Glc, gossypetin-8-glucoside, 3,5,7,3',4'-Pentahydroxy-8-O-glucosylflavone, Gossypin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5281621 CH$LINK: INCHIKEY SJRXVLUZMMDCNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084807.txt index 5144bad491b..0b9aea43eb1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084807 -RECORD_TITLE: 3,5,7,8,3',4'-Hexahydroxyflavone-8-glucoside, Gosp-8-Glc, gossypetin-8-glucoside, 3,5,7,3',4'-Pentahydroxy-8-O-glucosylflavone, Gossypin; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,5,7,8,3',4'-Hexahydroxyflavone-8-glucoside, Gosp-8-Glc, gossypetin-8-glucoside, 3,5,7,3',4'-Pentahydroxy-8-O-glucosylflavone, Gossypin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5281621 CH$LINK: INCHIKEY SJRXVLUZMMDCNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084907.txt index 680b493161e..89cd7de6b06 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084907 -RECORD_TITLE: Cirantin, Hesperidoside, Hesp-7-Glc-6pp-Rha, Hesperetin 7-rhamnoglucoside, hesperetin-7-O-rutinoside, Hesperetin-1-rhamnosido-D-Glucose, Hesperidin, Bioflavonoid, Citrin, Vitamin P; LC-ESI-QQ; MS2 +RECORD_TITLE: Cirantin, Hesperidoside, Hesp-7-Glc-6pp-Rha, Hesperetin 7-rhamnoglucoside, hesperetin-7-O-rutinoside, Hesperetin-1-rhamnosido-D-Glucose, Hesperidin, Bioflavonoid, Citrin, Vitamin P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:10621 CH$LINK: INCHIKEY QUQPHWDTPGMPEX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084908.txt index dce4477a9d8..a5acbbd2c57 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084908 -RECORD_TITLE: Cirantin, Hesperidoside, Hesp-7-Glc-6pp-Rha, Hesperetin 7-rhamnoglucoside, hesperetin-7-O-rutinoside, Hesperetin-1-rhamnosido-D-Glucose, Hesperidin, Bioflavonoid, Citrin, Vitamin P; LC-ESI-QQ; MS2 +RECORD_TITLE: Cirantin, Hesperidoside, Hesp-7-Glc-6pp-Rha, Hesperetin 7-rhamnoglucoside, hesperetin-7-O-rutinoside, Hesperetin-1-rhamnosido-D-Glucose, Hesperidin, Bioflavonoid, Citrin, Vitamin P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:10621 CH$LINK: INCHIKEY QUQPHWDTPGMPEX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084909.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084909.txt index d2c13adb004..ae296ef5902 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084909.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084909 -RECORD_TITLE: Cirantin, Hesperidoside, Hesp-7-Glc-6pp-Rha, Hesperetin 7-rhamnoglucoside, hesperetin-7-O-rutinoside, Hesperetin-1-rhamnosido-D-Glucose, Hesperidin, Bioflavonoid, Citrin, Vitamin P; LC-ESI-QQ; MS2 +RECORD_TITLE: Cirantin, Hesperidoside, Hesp-7-Glc-6pp-Rha, Hesperetin 7-rhamnoglucoside, hesperetin-7-O-rutinoside, Hesperetin-1-rhamnosido-D-Glucose, Hesperidin, Bioflavonoid, Citrin, Vitamin P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:10621 CH$LINK: INCHIKEY QUQPHWDTPGMPEX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084910.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084910.txt index 4b7552c54c5..e2613408802 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084910.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084910.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084910 -RECORD_TITLE: Cirantin, Hesperidoside, Hesp-7-Glc-6pp-Rha, Hesperetin 7-rhamnoglucoside, hesperetin-7-O-rutinoside, Hesperetin-1-rhamnosido-D-Glucose, Hesperidin, Bioflavonoid, Citrin, Vitamin P; LC-ESI-QQ; MS2 +RECORD_TITLE: Cirantin, Hesperidoside, Hesp-7-Glc-6pp-Rha, Hesperetin 7-rhamnoglucoside, hesperetin-7-O-rutinoside, Hesperetin-1-rhamnosido-D-Glucose, Hesperidin, Bioflavonoid, Citrin, Vitamin P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:10621 CH$LINK: INCHIKEY QUQPHWDTPGMPEX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084911.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084911.txt index b7197fc66cb..b150822dd12 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084911.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084911.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084911 -RECORD_TITLE: Cirantin, Hesperidoside, Hesp-7-Glc-6pp-Rha, Hesperetin 7-rhamnoglucoside, hesperetin-7-O-rutinoside, Hesperetin-1-rhamnosido-D-Glucose, Hesperidin, Bioflavonoid, Citrin, Vitamin P; LC-ESI-QQ; MS2 +RECORD_TITLE: Cirantin, Hesperidoside, Hesp-7-Glc-6pp-Rha, Hesperetin 7-rhamnoglucoside, hesperetin-7-O-rutinoside, Hesperetin-1-rhamnosido-D-Glucose, Hesperidin, Bioflavonoid, Citrin, Vitamin P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:10621 CH$LINK: INCHIKEY QUQPHWDTPGMPEX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084912.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084912.txt index 9762cfcd5f1..75a2fb215f7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084912.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS084912.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS084912 -RECORD_TITLE: Cirantin, Hesperidoside, Hesp-7-Glc-6pp-Rha, Hesperetin 7-rhamnoglucoside, hesperetin-7-O-rutinoside, Hesperetin-1-rhamnosido-D-Glucose, Hesperidin, Bioflavonoid, Citrin, Vitamin P; LC-ESI-QQ; MS2 +RECORD_TITLE: Cirantin, Hesperidoside, Hesp-7-Glc-6pp-Rha, Hesperetin 7-rhamnoglucoside, hesperetin-7-O-rutinoside, Hesperetin-1-rhamnosido-D-Glucose, Hesperidin, Bioflavonoid, Citrin, Vitamin P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:10621 CH$LINK: INCHIKEY QUQPHWDTPGMPEX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085001.txt index 7cb659f4559..d7d28f311ad 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085001 -RECORD_TITLE: 4'-Methylnaringenin, Issk, 4'-Methoxy-5,7-dihydroxyflavonone, 5,7-Dihydroxy-4'-methoxyflavanone, Isosakuranetin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4'-Methylnaringenin, Issk, 4'-Methoxy-5,7-dihydroxyflavonone, 5,7-Dihydroxy-4'-methoxyflavanone, Isosakuranetin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:160481 CH$LINK: INCHIKEY HMUJXQRRKBLVOO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085002.txt index 7c2e54718bb..e0c0c56be1c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085002 -RECORD_TITLE: 4'-Methylnaringenin, Issk, 4'-Methoxy-5,7-dihydroxyflavonone, 5,7-Dihydroxy-4'-methoxyflavanone, Isosakuranetin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4'-Methylnaringenin, Issk, 4'-Methoxy-5,7-dihydroxyflavonone, 5,7-Dihydroxy-4'-methoxyflavanone, Isosakuranetin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:160481 CH$LINK: INCHIKEY HMUJXQRRKBLVOO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085003.txt index d18cbf049b0..37476d52c9d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085003 -RECORD_TITLE: 4'-Methylnaringenin, Issk, 4'-Methoxy-5,7-dihydroxyflavonone, 5,7-Dihydroxy-4'-methoxyflavanone, Isosakuranetin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4'-Methylnaringenin, Issk, 4'-Methoxy-5,7-dihydroxyflavonone, 5,7-Dihydroxy-4'-methoxyflavanone, Isosakuranetin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:160481 CH$LINK: INCHIKEY HMUJXQRRKBLVOO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085004.txt index 4e05496dbe9..cb8fdbe4f91 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085004 -RECORD_TITLE: 4'-Methylnaringenin, Issk, 4'-Methoxy-5,7-dihydroxyflavonone, 5,7-Dihydroxy-4'-methoxyflavanone, Isosakuranetin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4'-Methylnaringenin, Issk, 4'-Methoxy-5,7-dihydroxyflavonone, 5,7-Dihydroxy-4'-methoxyflavanone, Isosakuranetin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:160481 CH$LINK: INCHIKEY HMUJXQRRKBLVOO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085005.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085005.txt index d8bcc0975a6..262f9951a25 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085005.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085005 -RECORD_TITLE: 4'-Methylnaringenin, Issk, 4'-Methoxy-5,7-dihydroxyflavonone, 5,7-Dihydroxy-4'-methoxyflavanone, Isosakuranetin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4'-Methylnaringenin, Issk, 4'-Methoxy-5,7-dihydroxyflavonone, 5,7-Dihydroxy-4'-methoxyflavanone, Isosakuranetin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:160481 CH$LINK: INCHIKEY HMUJXQRRKBLVOO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085006.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085006.txt index 50bc9e5094c..6b04f69f6f7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085006.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085006.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085006 -RECORD_TITLE: 4'-Methylnaringenin, Issk, 4'-Methoxy-5,7-dihydroxyflavonone, 5,7-Dihydroxy-4'-methoxyflavanone, Isosakuranetin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4'-Methylnaringenin, Issk, 4'-Methoxy-5,7-dihydroxyflavonone, 5,7-Dihydroxy-4'-methoxyflavanone, Isosakuranetin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:160481 CH$LINK: INCHIKEY HMUJXQRRKBLVOO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085101.txt index 77b9affaf25..a71fc0ecbea 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085101 -RECORD_TITLE: kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5483905 CH$LINK: INCHIKEY ZEJXENDZTYVXDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085102.txt index bb1ea05c068..1f32357af8a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085102 -RECORD_TITLE: kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5483905 CH$LINK: INCHIKEY ZEJXENDZTYVXDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085103.txt index 5c502edfbdf..56f73ac3210 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085103 -RECORD_TITLE: kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5483905 CH$LINK: INCHIKEY ZEJXENDZTYVXDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085104.txt index 7645b2b360e..00bcb0023d7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085104 -RECORD_TITLE: kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5483905 CH$LINK: INCHIKEY ZEJXENDZTYVXDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085105.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085105.txt index ca9288f1838..4a90e7d9d3b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085105.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085105 -RECORD_TITLE: kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5483905 CH$LINK: INCHIKEY ZEJXENDZTYVXDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085106.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085106.txt index b3fd3dbc10a..d2adf7aae0d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085106.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085106 -RECORD_TITLE: kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5483905 CH$LINK: INCHIKEY ZEJXENDZTYVXDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085107.txt index 5f4038ff037..c6b71b39078 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085107 -RECORD_TITLE: kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5483905 CH$LINK: INCHIKEY ZEJXENDZTYVXDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085108.txt index ef657e41e80..2d505cde76b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085108 -RECORD_TITLE: kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5483905 CH$LINK: INCHIKEY ZEJXENDZTYVXDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085109.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085109.txt index ac39beec116..392a9e900de 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085109.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085109 -RECORD_TITLE: kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5483905 CH$LINK: INCHIKEY ZEJXENDZTYVXDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085110.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085110.txt index ae77949eb3d..5c295c4521a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085110.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085110.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085110 -RECORD_TITLE: kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5483905 CH$LINK: INCHIKEY ZEJXENDZTYVXDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085111.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085111.txt index 421030c905d..ed11449dc36 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085111.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085111.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085111 -RECORD_TITLE: kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5483905 CH$LINK: INCHIKEY ZEJXENDZTYVXDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085112.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085112.txt index d2f68bffb15..221d9b2c0fc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085112.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085112.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085112 -RECORD_TITLE: kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: kaempferol-7-O-neohesperidoside, Kaem-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5483905 CH$LINK: INCHIKEY ZEJXENDZTYVXDP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085201.txt index f40100b086d..b77f285c668 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085201 -RECORD_TITLE: acacetin-7-O-rutinoside, Linarin, Acaciin, Buddieoflavonoloside, Acac-7-Glc-6pp-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: acacetin-7-O-rutinoside, Linarin, Acaciin, Buddieoflavonoloside, Acac-7-Glc-6pp-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5317025 CH$LINK: INCHIKEY YFVGIJBUXMQFOF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085202.txt index 865104d32ca..287fdadb458 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085202 -RECORD_TITLE: acacetin-7-O-rutinoside, Linarin, Acaciin, Buddieoflavonoloside, Acac-7-Glc-6pp-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: acacetin-7-O-rutinoside, Linarin, Acaciin, Buddieoflavonoloside, Acac-7-Glc-6pp-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5317025 CH$LINK: INCHIKEY YFVGIJBUXMQFOF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085203.txt index 6bfe80f2bde..08ab05345f2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085203 -RECORD_TITLE: acacetin-7-O-rutinoside, Linarin, Acaciin, Buddieoflavonoloside, Acac-7-Glc-6pp-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: acacetin-7-O-rutinoside, Linarin, Acaciin, Buddieoflavonoloside, Acac-7-Glc-6pp-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5317025 CH$LINK: INCHIKEY YFVGIJBUXMQFOF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085204.txt index b041b514d1f..cda6dfe6e64 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085204 -RECORD_TITLE: acacetin-7-O-rutinoside, Linarin, Acaciin, Buddieoflavonoloside, Acac-7-Glc-6pp-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: acacetin-7-O-rutinoside, Linarin, Acaciin, Buddieoflavonoloside, Acac-7-Glc-6pp-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5317025 CH$LINK: INCHIKEY YFVGIJBUXMQFOF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085205.txt index b9dce2fdf56..2d1a0995cd3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085205 -RECORD_TITLE: acacetin-7-O-rutinoside, Linarin, Acaciin, Buddieoflavonoloside, Acac-7-Glc-6pp-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: acacetin-7-O-rutinoside, Linarin, Acaciin, Buddieoflavonoloside, Acac-7-Glc-6pp-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5317025 CH$LINK: INCHIKEY YFVGIJBUXMQFOF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085206.txt index c35a888d183..355a9b685ea 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085206 -RECORD_TITLE: acacetin-7-O-rutinoside, Linarin, Acaciin, Buddieoflavonoloside, Acac-7-Glc-6pp-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: acacetin-7-O-rutinoside, Linarin, Acaciin, Buddieoflavonoloside, Acac-7-Glc-6pp-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5317025 CH$LINK: INCHIKEY YFVGIJBUXMQFOF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085207.txt index ad1c9b0e503..bad198705a9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085207 -RECORD_TITLE: acacetin-7-O-rutinoside, Linarin, Acaciin, Buddieoflavonoloside, Acac-7-Glc-6pp-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: acacetin-7-O-rutinoside, Linarin, Acaciin, Buddieoflavonoloside, Acac-7-Glc-6pp-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5317025 CH$LINK: INCHIKEY YFVGIJBUXMQFOF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085208.txt index 0525665d174..5bb88d03a77 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085208 -RECORD_TITLE: acacetin-7-O-rutinoside, Linarin, Acaciin, Buddieoflavonoloside, Acac-7-Glc-6pp-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: acacetin-7-O-rutinoside, Linarin, Acaciin, Buddieoflavonoloside, Acac-7-Glc-6pp-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5317025 CH$LINK: INCHIKEY YFVGIJBUXMQFOF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085209.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085209.txt index a325da4c9e6..ca2e6a8c52f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085209.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085209 -RECORD_TITLE: acacetin-7-O-rutinoside, Linarin, Acaciin, Buddieoflavonoloside, Acac-7-Glc-6pp-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: acacetin-7-O-rutinoside, Linarin, Acaciin, Buddieoflavonoloside, Acac-7-Glc-6pp-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5317025 CH$LINK: INCHIKEY YFVGIJBUXMQFOF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085210.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085210.txt index 18cf1d223e7..cd57ec6eebd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085210.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085210.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085210 -RECORD_TITLE: acacetin-7-O-rutinoside, Linarin, Acaciin, Buddieoflavonoloside, Acac-7-Glc-6pp-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: acacetin-7-O-rutinoside, Linarin, Acaciin, Buddieoflavonoloside, Acac-7-Glc-6pp-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5317025 CH$LINK: INCHIKEY YFVGIJBUXMQFOF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085211.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085211.txt index 353625eaaf8..43f1dc35e89 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085211.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085211.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085211 -RECORD_TITLE: acacetin-7-O-rutinoside, Linarin, Acaciin, Buddieoflavonoloside, Acac-7-Glc-6pp-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: acacetin-7-O-rutinoside, Linarin, Acaciin, Buddieoflavonoloside, Acac-7-Glc-6pp-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5317025 CH$LINK: INCHIKEY YFVGIJBUXMQFOF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085301.txt index 75fe082e173..55837c44f2a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085301 -RECORD_TITLE: Lutl-3p-Glc-7-Glc, luteolin-3',7-di-O-glucoside ; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-3p-Glc-7-Glc, luteolin-3',7-di-O-glucoside ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5490298 CH$LINK: INCHIKEY BISZYPSIZGKOFA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085302.txt index 6d1ac113c4c..f58ae93df5e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085302 -RECORD_TITLE: Lutl-3p-Glc-7-Glc, luteolin-3',7-di-O-glucoside ; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-3p-Glc-7-Glc, luteolin-3',7-di-O-glucoside ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5490298 CH$LINK: INCHIKEY BISZYPSIZGKOFA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085303.txt index 9d23cad43be..514f041fc51 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085303 -RECORD_TITLE: Lutl-3p-Glc-7-Glc, luteolin-3',7-di-O-glucoside ; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-3p-Glc-7-Glc, luteolin-3',7-di-O-glucoside ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5490298 CH$LINK: INCHIKEY BISZYPSIZGKOFA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085304.txt index 0577d73a389..1ea93966b8e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085304 -RECORD_TITLE: Lutl-3p-Glc-7-Glc, luteolin-3',7-di-O-glucoside ; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-3p-Glc-7-Glc, luteolin-3',7-di-O-glucoside ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5490298 CH$LINK: INCHIKEY BISZYPSIZGKOFA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085305.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085305.txt index 7ac00d4dd67..56706157b8f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085305.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085305 -RECORD_TITLE: Lutl-3p-Glc-7-Glc, luteolin-3',7-di-O-glucoside ; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-3p-Glc-7-Glc, luteolin-3',7-di-O-glucoside ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5490298 CH$LINK: INCHIKEY BISZYPSIZGKOFA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085306.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085306.txt index d4c44112e96..2e629e5ddf8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085306.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085306.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085306 -RECORD_TITLE: Lutl-3p-Glc-7-Glc, luteolin-3',7-di-O-glucoside ; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-3p-Glc-7-Glc, luteolin-3',7-di-O-glucoside ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5490298 CH$LINK: INCHIKEY BISZYPSIZGKOFA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085307.txt index ef17c2f495c..308327d9cc9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085307 -RECORD_TITLE: Lutl-3p-Glc-7-Glc, luteolin-3',7-di-O-glucoside ; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-3p-Glc-7-Glc, luteolin-3',7-di-O-glucoside ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5490298 CH$LINK: INCHIKEY BISZYPSIZGKOFA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085308.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085308.txt index 6d2ef6c7222..4ba8fb0ab4d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085308.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085308.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085308 -RECORD_TITLE: Lutl-3p-Glc-7-Glc, luteolin-3',7-di-O-glucoside ; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-3p-Glc-7-Glc, luteolin-3',7-di-O-glucoside ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5490298 CH$LINK: INCHIKEY BISZYPSIZGKOFA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085309.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085309.txt index 0308d997e2a..02a32f40fc7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085309.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085309.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085309 -RECORD_TITLE: Lutl-3p-Glc-7-Glc, luteolin-3',7-di-O-glucoside ; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-3p-Glc-7-Glc, luteolin-3',7-di-O-glucoside ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5490298 CH$LINK: INCHIKEY BISZYPSIZGKOFA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085310.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085310.txt index 7d44c25c4e7..d4d5a1eecfe 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085310.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085310.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085310 -RECORD_TITLE: Lutl-3p-Glc-7-Glc, luteolin-3',7-di-O-glucoside ; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-3p-Glc-7-Glc, luteolin-3',7-di-O-glucoside ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5490298 CH$LINK: INCHIKEY BISZYPSIZGKOFA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085311.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085311.txt index 4259ba3212e..1fe1aa3cc4b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085311.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085311.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085311 -RECORD_TITLE: Lutl-3p-Glc-7-Glc, luteolin-3',7-di-O-glucoside ; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-3p-Glc-7-Glc, luteolin-3',7-di-O-glucoside ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5490298 CH$LINK: INCHIKEY BISZYPSIZGKOFA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085312.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085312.txt index 262c45baf70..1608551677c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085312.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085312.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085312 -RECORD_TITLE: Lutl-3p-Glc-7-Glc, luteolin-3',7-di-O-glucoside ; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-3p-Glc-7-Glc, luteolin-3',7-di-O-glucoside ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5490298 CH$LINK: INCHIKEY BISZYPSIZGKOFA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085401.txt index 01ea6433adb..2f7fa5b077d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085401 -RECORD_TITLE: Luteolin-4'-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Luteolin-4'-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5319116 CH$LINK: INCHIKEY UHNXUSWGOJMEFO-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085402.txt index e0da0a6b1be..6fd52b84e56 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085402 -RECORD_TITLE: Luteolin-4'-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Luteolin-4'-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5319116 CH$LINK: INCHIKEY UHNXUSWGOJMEFO-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085403.txt index 4936d0d6f7f..25c20232d66 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085403 -RECORD_TITLE: Luteolin-4'-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Luteolin-4'-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5319116 CH$LINK: INCHIKEY UHNXUSWGOJMEFO-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085404.txt index 26935ea166b..9662030864d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085404 -RECORD_TITLE: Luteolin-4'-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Luteolin-4'-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5319116 CH$LINK: INCHIKEY UHNXUSWGOJMEFO-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085405.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085405.txt index 8ee0d4f269a..349cf3abb8f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085405.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085405 -RECORD_TITLE: Luteolin-4'-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Luteolin-4'-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5319116 CH$LINK: INCHIKEY UHNXUSWGOJMEFO-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085406.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085406.txt index 44714cc11f9..5d545974407 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085406.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085406.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085406 -RECORD_TITLE: Luteolin-4'-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Luteolin-4'-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5319116 CH$LINK: INCHIKEY UHNXUSWGOJMEFO-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085407.txt index 1a27a46e6ac..a5d23cf8cc7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085407 -RECORD_TITLE: Luteolin-4'-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Luteolin-4'-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5319116 CH$LINK: INCHIKEY UHNXUSWGOJMEFO-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085408.txt index 03238ffdb7c..e3dcbd113a9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085408 -RECORD_TITLE: Luteolin-4'-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Luteolin-4'-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5319116 CH$LINK: INCHIKEY UHNXUSWGOJMEFO-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085409.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085409.txt index dcf51824175..07ecfea2986 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085409.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085409 -RECORD_TITLE: Luteolin-4'-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Luteolin-4'-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5319116 CH$LINK: INCHIKEY UHNXUSWGOJMEFO-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085410.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085410.txt index dbb346ae4cf..665e86d1819 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085410.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085410.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085410 -RECORD_TITLE: Luteolin-4'-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Luteolin-4'-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5319116 CH$LINK: INCHIKEY UHNXUSWGOJMEFO-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085411.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085411.txt index 75509dff346..bac3e7e4406 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085411.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085411.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085411 -RECORD_TITLE: Luteolin-4'-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Luteolin-4'-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5319116 CH$LINK: INCHIKEY UHNXUSWGOJMEFO-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085412.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085412.txt index 39632a40f6e..198c79a4ba5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085412.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085412.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085412 -RECORD_TITLE: Luteolin-4'-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Luteolin-4'-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5319116 CH$LINK: INCHIKEY UHNXUSWGOJMEFO-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085501.txt index d051826d9ff..0b63d7d246b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085501 -RECORD_TITLE: 2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Marein, Okan-4p-Glc, okanin-4'-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Marein, Okan-4p-Glc, okanin-4'-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6441269 CH$LINK: INCHIKEY XGEYXJDOVMEJNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085502.txt index 2329c5dd08a..72363f34257 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085502 -RECORD_TITLE: 2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Marein, Okan-4p-Glc, okanin-4'-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Marein, Okan-4p-Glc, okanin-4'-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6441269 CH$LINK: INCHIKEY XGEYXJDOVMEJNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085503.txt index 8b9541d5001..0b33f13d699 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085503 -RECORD_TITLE: 2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Marein, Okan-4p-Glc, okanin-4'-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Marein, Okan-4p-Glc, okanin-4'-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6441269 CH$LINK: INCHIKEY XGEYXJDOVMEJNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085504.txt index beef740f91c..9f6c44cbb31 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085504 -RECORD_TITLE: 2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Marein, Okan-4p-Glc, okanin-4'-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Marein, Okan-4p-Glc, okanin-4'-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6441269 CH$LINK: INCHIKEY XGEYXJDOVMEJNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085505.txt index ac7e831a20c..ec22695fbdf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085505 -RECORD_TITLE: 2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Marein, Okan-4p-Glc, okanin-4'-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Marein, Okan-4p-Glc, okanin-4'-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6441269 CH$LINK: INCHIKEY XGEYXJDOVMEJNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085506.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085506.txt index 9dd7c7ba160..d423bd071e6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085506.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085506 -RECORD_TITLE: 2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Marein, Okan-4p-Glc, okanin-4'-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Marein, Okan-4p-Glc, okanin-4'-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6441269 CH$LINK: INCHIKEY XGEYXJDOVMEJNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085507.txt index 414bbf00640..8ebcdb78302 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085507 -RECORD_TITLE: 2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Marein, Okan-4p-Glc, okanin-4'-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Marein, Okan-4p-Glc, okanin-4'-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6441269 CH$LINK: INCHIKEY XGEYXJDOVMEJNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085508.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085508.txt index fc35f8c50de..1a11c0e9f1d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085508.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085508 -RECORD_TITLE: 2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Marein, Okan-4p-Glc, okanin-4'-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Marein, Okan-4p-Glc, okanin-4'-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6441269 CH$LINK: INCHIKEY XGEYXJDOVMEJNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085509.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085509.txt index 1b30806e2e8..ab2af2a613e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085509.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085509.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085509 -RECORD_TITLE: 2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Marein, Okan-4p-Glc, okanin-4'-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Marein, Okan-4p-Glc, okanin-4'-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6441269 CH$LINK: INCHIKEY XGEYXJDOVMEJNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085510.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085510.txt index add3b1eefac..cac53949c0f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085510.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085510.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085510 -RECORD_TITLE: 2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Marein, Okan-4p-Glc, okanin-4'-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Marein, Okan-4p-Glc, okanin-4'-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6441269 CH$LINK: INCHIKEY XGEYXJDOVMEJNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085511.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085511.txt index 4023fce7a3b..ef36ac06689 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085511.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085511.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085511 -RECORD_TITLE: 2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Marein, Okan-4p-Glc, okanin-4'-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Marein, Okan-4p-Glc, okanin-4'-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6441269 CH$LINK: INCHIKEY XGEYXJDOVMEJNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085512.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085512.txt index 504c3b0ebd6..0c8b82e8602 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085512.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085512.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085512 -RECORD_TITLE: 2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Marein, Okan-4p-Glc, okanin-4'-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 2',3,3',4,4'-Pentahydroxy-4'-glucosylchalcone, Marein, Okan-4p-Glc, okanin-4'-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6441269 CH$LINK: INCHIKEY XGEYXJDOVMEJNG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085601.txt index f5764104d49..9ab75cc7fe1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085601 -RECORD_TITLE: 3',4'6,7-Tetrahydroxy-6-O-glucosylaurone, Mrtm-6-Glc, Maritimein, maritimetin-6-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',4'6,7-Tetrahydroxy-6-O-glucosylaurone, Mrtm-6-Glc, Maritimein, maritimetin-6-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6450184 CH$LINK: INCHIKEY SYRURBPRFQUYQS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085602.txt index 3473bf99629..0832b18a691 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085602 -RECORD_TITLE: 3',4'6,7-Tetrahydroxy-6-O-glucosylaurone, Mrtm-6-Glc, Maritimein, maritimetin-6-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',4'6,7-Tetrahydroxy-6-O-glucosylaurone, Mrtm-6-Glc, Maritimein, maritimetin-6-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6450184 CH$LINK: INCHIKEY SYRURBPRFQUYQS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085603.txt index 23b4982ca14..ae140933978 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085603 -RECORD_TITLE: 3',4'6,7-Tetrahydroxy-6-O-glucosylaurone, Mrtm-6-Glc, Maritimein, maritimetin-6-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',4'6,7-Tetrahydroxy-6-O-glucosylaurone, Mrtm-6-Glc, Maritimein, maritimetin-6-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6450184 CH$LINK: INCHIKEY SYRURBPRFQUYQS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085604.txt index 80eb8572bd2..f3fb56fca02 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085604 -RECORD_TITLE: 3',4'6,7-Tetrahydroxy-6-O-glucosylaurone, Mrtm-6-Glc, Maritimein, maritimetin-6-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',4'6,7-Tetrahydroxy-6-O-glucosylaurone, Mrtm-6-Glc, Maritimein, maritimetin-6-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6450184 CH$LINK: INCHIKEY SYRURBPRFQUYQS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085605.txt index a21e4665db6..a705314156f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085605 -RECORD_TITLE: 3',4'6,7-Tetrahydroxy-6-O-glucosylaurone, Mrtm-6-Glc, Maritimein, maritimetin-6-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',4'6,7-Tetrahydroxy-6-O-glucosylaurone, Mrtm-6-Glc, Maritimein, maritimetin-6-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6450184 CH$LINK: INCHIKEY SYRURBPRFQUYQS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085606.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085606.txt index 0e7b2811622..422168f5467 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085606.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085606.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085606 -RECORD_TITLE: 3',4'6,7-Tetrahydroxy-6-O-glucosylaurone, Mrtm-6-Glc, Maritimein, maritimetin-6-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',4'6,7-Tetrahydroxy-6-O-glucosylaurone, Mrtm-6-Glc, Maritimein, maritimetin-6-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6450184 CH$LINK: INCHIKEY SYRURBPRFQUYQS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085607.txt index 906f513f3e6..c186f54435f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085607 -RECORD_TITLE: 3',4'6,7-Tetrahydroxy-6-O-glucosylaurone, Mrtm-6-Glc, Maritimein, maritimetin-6-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',4'6,7-Tetrahydroxy-6-O-glucosylaurone, Mrtm-6-Glc, Maritimein, maritimetin-6-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6450184 CH$LINK: INCHIKEY SYRURBPRFQUYQS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085608.txt index d7ec1311f2a..e28aed91e75 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085608 -RECORD_TITLE: 3',4'6,7-Tetrahydroxy-6-O-glucosylaurone, Mrtm-6-Glc, Maritimein, maritimetin-6-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',4'6,7-Tetrahydroxy-6-O-glucosylaurone, Mrtm-6-Glc, Maritimein, maritimetin-6-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6450184 CH$LINK: INCHIKEY SYRURBPRFQUYQS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085609.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085609.txt index ee236fb5a53..776de822563 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085609.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085609.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085609 -RECORD_TITLE: 3',4'6,7-Tetrahydroxy-6-O-glucosylaurone, Mrtm-6-Glc, Maritimein, maritimetin-6-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',4'6,7-Tetrahydroxy-6-O-glucosylaurone, Mrtm-6-Glc, Maritimein, maritimetin-6-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6450184 CH$LINK: INCHIKEY SYRURBPRFQUYQS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085610.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085610.txt index d480bbb2c9e..acd00c8151a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085610.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085610.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085610 -RECORD_TITLE: 3',4'6,7-Tetrahydroxy-6-O-glucosylaurone, Mrtm-6-Glc, Maritimein, maritimetin-6-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',4'6,7-Tetrahydroxy-6-O-glucosylaurone, Mrtm-6-Glc, Maritimein, maritimetin-6-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6450184 CH$LINK: INCHIKEY SYRURBPRFQUYQS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085611.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085611.txt index de466ee6a1d..aba3e1b624c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085611.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085611.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085611 -RECORD_TITLE: 3',4'6,7-Tetrahydroxy-6-O-glucosylaurone, Mrtm-6-Glc, Maritimein, maritimetin-6-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',4'6,7-Tetrahydroxy-6-O-glucosylaurone, Mrtm-6-Glc, Maritimein, maritimetin-6-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6450184 CH$LINK: INCHIKEY SYRURBPRFQUYQS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085612.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085612.txt index 94ef143218d..24df07a795f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085612.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085612.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085612 -RECORD_TITLE: 3',4'6,7-Tetrahydroxy-6-O-glucosylaurone, Mrtm-6-Glc, Maritimein, maritimetin-6-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 3',4'6,7-Tetrahydroxy-6-O-glucosylaurone, Mrtm-6-Glc, Maritimein, maritimetin-6-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:6450184 CH$LINK: INCHIKEY SYRURBPRFQUYQS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085701.txt index 6a60d74c75d..4ea0523f2ff 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085701 -RECORD_TITLE: Naringenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Naringenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:439246 CH$LINK: INCHIKEY FTVWIRXFELQLPI-ZDUSSCGKSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085702.txt index 22e405caa2f..21267c5325d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085702 -RECORD_TITLE: Naringenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Naringenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:439246 CH$LINK: INCHIKEY FTVWIRXFELQLPI-ZDUSSCGKSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085703.txt index 4f81f5bc0e3..f39583cfa77 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085703 -RECORD_TITLE: Naringenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Naringenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:439246 CH$LINK: INCHIKEY FTVWIRXFELQLPI-ZDUSSCGKSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085704.txt index 940a07fc77b..720bfa061c8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085704 -RECORD_TITLE: Naringenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Naringenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:439246 CH$LINK: INCHIKEY FTVWIRXFELQLPI-ZDUSSCGKSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085705.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085705.txt index 7db871523d2..f425eeb5b71 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085705.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085705 -RECORD_TITLE: Naringenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Naringenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:439246 CH$LINK: INCHIKEY FTVWIRXFELQLPI-ZDUSSCGKSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085707.txt index a490f54df35..38c990800d1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085707 -RECORD_TITLE: Naringenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Naringenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:439246 CH$LINK: INCHIKEY FTVWIRXFELQLPI-ZDUSSCGKSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085708.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085708.txt index af0502ab24e..fcf5793038b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085708.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085708 -RECORD_TITLE: Naringenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Naringenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:439246 CH$LINK: INCHIKEY FTVWIRXFELQLPI-ZDUSSCGKSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085709.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085709.txt index 4c8340a7d87..610b7dcb2ec 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085709.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085709.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085709 -RECORD_TITLE: Naringenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Naringenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:439246 CH$LINK: INCHIKEY FTVWIRXFELQLPI-ZDUSSCGKSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085710.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085710.txt index 242ecce3918..ab0c3bb0e55 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085710.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085710.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085710 -RECORD_TITLE: Naringenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Naringenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:439246 CH$LINK: INCHIKEY FTVWIRXFELQLPI-ZDUSSCGKSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085711.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085711.txt index 9e00898b606..107b6fc62d2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085711.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085711.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085711 -RECORD_TITLE: Naringenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Naringenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:439246 CH$LINK: INCHIKEY FTVWIRXFELQLPI-ZDUSSCGKSA-N CH$LINK: ChemOnt CHEMONTID:0000337; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavans AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085901.txt index 51e0b4cda7f..c6c555b0d3c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085901 -RECORD_TITLE: (S)-3',4',5,7-Tetrahydroxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neoeriocitrin, eriodictyol-7-O-neohesperidoside, Erid-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-3',4',5,7-Tetrahydroxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neoeriocitrin, eriodictyol-7-O-neohesperidoside, Erid-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:114627 CH$LINK: INCHIKEY OBKKEZLIABHSGY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085902.txt index 74e6c21e35b..ff4a7cd3a2c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085902 -RECORD_TITLE: (S)-3',4',5,7-Tetrahydroxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neoeriocitrin, eriodictyol-7-O-neohesperidoside, Erid-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-3',4',5,7-Tetrahydroxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neoeriocitrin, eriodictyol-7-O-neohesperidoside, Erid-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:114627 CH$LINK: INCHIKEY OBKKEZLIABHSGY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085903.txt index fb8d8d800ba..589285b6497 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085903 -RECORD_TITLE: (S)-3',4',5,7-Tetrahydroxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neoeriocitrin, eriodictyol-7-O-neohesperidoside, Erid-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-3',4',5,7-Tetrahydroxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neoeriocitrin, eriodictyol-7-O-neohesperidoside, Erid-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:114627 CH$LINK: INCHIKEY OBKKEZLIABHSGY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085904.txt index a6b1043fdd3..f7c345e6229 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085904 -RECORD_TITLE: (S)-3',4',5,7-Tetrahydroxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neoeriocitrin, eriodictyol-7-O-neohesperidoside, Erid-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-3',4',5,7-Tetrahydroxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neoeriocitrin, eriodictyol-7-O-neohesperidoside, Erid-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:114627 CH$LINK: INCHIKEY OBKKEZLIABHSGY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085907.txt index 7be2747b36e..0dd7a7dbec3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085907 -RECORD_TITLE: (S)-3',4',5,7-Tetrahydroxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neoeriocitrin, eriodictyol-7-O-neohesperidoside, Erid-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-3',4',5,7-Tetrahydroxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neoeriocitrin, eriodictyol-7-O-neohesperidoside, Erid-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:114627 CH$LINK: INCHIKEY OBKKEZLIABHSGY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085908.txt index 00a82dc3778..47c3a5c66f6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085908 -RECORD_TITLE: (S)-3',4',5,7-Tetrahydroxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neoeriocitrin, eriodictyol-7-O-neohesperidoside, Erid-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-3',4',5,7-Tetrahydroxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neoeriocitrin, eriodictyol-7-O-neohesperidoside, Erid-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:114627 CH$LINK: INCHIKEY OBKKEZLIABHSGY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085909.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085909.txt index e4ba5e2f810..9b2f1e346e2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085909.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085909 -RECORD_TITLE: (S)-3',4',5,7-Tetrahydroxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neoeriocitrin, eriodictyol-7-O-neohesperidoside, Erid-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-3',4',5,7-Tetrahydroxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neoeriocitrin, eriodictyol-7-O-neohesperidoside, Erid-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:114627 CH$LINK: INCHIKEY OBKKEZLIABHSGY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085910.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085910.txt index 149d53a1842..53dbbd93628 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085910.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085910.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085910 -RECORD_TITLE: (S)-3',4',5,7-Tetrahydroxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neoeriocitrin, eriodictyol-7-O-neohesperidoside, Erid-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-3',4',5,7-Tetrahydroxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neoeriocitrin, eriodictyol-7-O-neohesperidoside, Erid-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:114627 CH$LINK: INCHIKEY OBKKEZLIABHSGY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085911.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085911.txt index de0fa2ab50e..f42303b7932 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085911.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085911.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085911 -RECORD_TITLE: (S)-3',4',5,7-Tetrahydroxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neoeriocitrin, eriodictyol-7-O-neohesperidoside, Erid-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-3',4',5,7-Tetrahydroxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neoeriocitrin, eriodictyol-7-O-neohesperidoside, Erid-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:114627 CH$LINK: INCHIKEY OBKKEZLIABHSGY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085912.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085912.txt index be2006e3696..3b32f175c3f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085912.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS085912.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS085912 -RECORD_TITLE: (S)-3',4',5,7-Tetrahydroxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neoeriocitrin, eriodictyol-7-O-neohesperidoside, Erid-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-3',4',5,7-Tetrahydroxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neoeriocitrin, eriodictyol-7-O-neohesperidoside, Erid-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:114627 CH$LINK: INCHIKEY OBKKEZLIABHSGY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086001.txt index 76fb588bb5f..9d6358c865e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086001 -RECORD_TITLE: (S)-4'-Methoxy-3',5,7-trihydroxyflavone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neohesperidin, hesperetin-7-O-neohesperidoside, Hesp-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-4'-Methoxy-3',5,7-trihydroxyflavone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neohesperidin, hesperetin-7-O-neohesperidoside, Hesp-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:442439 CH$LINK: INCHIKEY ARGKVCXINMKCAZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086002.txt index 80eea609d98..328eb8235e0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086002 -RECORD_TITLE: (S)-4'-Methoxy-3',5,7-trihydroxyflavone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neohesperidin, hesperetin-7-O-neohesperidoside, Hesp-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-4'-Methoxy-3',5,7-trihydroxyflavone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neohesperidin, hesperetin-7-O-neohesperidoside, Hesp-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:442439 CH$LINK: INCHIKEY ARGKVCXINMKCAZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086003.txt index c616579053e..b9afb630888 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086003 -RECORD_TITLE: (S)-4'-Methoxy-3',5,7-trihydroxyflavone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neohesperidin, hesperetin-7-O-neohesperidoside, Hesp-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-4'-Methoxy-3',5,7-trihydroxyflavone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neohesperidin, hesperetin-7-O-neohesperidoside, Hesp-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:442439 CH$LINK: INCHIKEY ARGKVCXINMKCAZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086004.txt index ca01de9e05c..9a5a6b0fa5e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086004 -RECORD_TITLE: (S)-4'-Methoxy-3',5,7-trihydroxyflavone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neohesperidin, hesperetin-7-O-neohesperidoside, Hesp-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-4'-Methoxy-3',5,7-trihydroxyflavone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neohesperidin, hesperetin-7-O-neohesperidoside, Hesp-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:442439 CH$LINK: INCHIKEY ARGKVCXINMKCAZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086005.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086005.txt index a8bf8506d93..2b352537992 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086005.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086005 -RECORD_TITLE: (S)-4'-Methoxy-3',5,7-trihydroxyflavone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neohesperidin, hesperetin-7-O-neohesperidoside, Hesp-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-4'-Methoxy-3',5,7-trihydroxyflavone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neohesperidin, hesperetin-7-O-neohesperidoside, Hesp-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:442439 CH$LINK: INCHIKEY ARGKVCXINMKCAZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086007.txt index fb8149dc90a..71677f75e18 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086007 -RECORD_TITLE: (S)-4'-Methoxy-3',5,7-trihydroxyflavone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neohesperidin, hesperetin-7-O-neohesperidoside, Hesp-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-4'-Methoxy-3',5,7-trihydroxyflavone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neohesperidin, hesperetin-7-O-neohesperidoside, Hesp-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:442439 CH$LINK: INCHIKEY ARGKVCXINMKCAZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086008.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086008.txt index 3ac5a31caa9..0d70bdf651b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086008.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086008 -RECORD_TITLE: (S)-4'-Methoxy-3',5,7-trihydroxyflavone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neohesperidin, hesperetin-7-O-neohesperidoside, Hesp-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-4'-Methoxy-3',5,7-trihydroxyflavone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neohesperidin, hesperetin-7-O-neohesperidoside, Hesp-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:442439 CH$LINK: INCHIKEY ARGKVCXINMKCAZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086009.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086009.txt index f266ee56fbb..6ecfdf64d37 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086009.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086009 -RECORD_TITLE: (S)-4'-Methoxy-3',5,7-trihydroxyflavone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neohesperidin, hesperetin-7-O-neohesperidoside, Hesp-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-4'-Methoxy-3',5,7-trihydroxyflavone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neohesperidin, hesperetin-7-O-neohesperidoside, Hesp-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:442439 CH$LINK: INCHIKEY ARGKVCXINMKCAZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086010.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086010.txt index 5b743004fce..e7c74aad781 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086010.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086010.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086010 -RECORD_TITLE: (S)-4'-Methoxy-3',5,7-trihydroxyflavone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neohesperidin, hesperetin-7-O-neohesperidoside, Hesp-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-4'-Methoxy-3',5,7-trihydroxyflavone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neohesperidin, hesperetin-7-O-neohesperidoside, Hesp-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:442439 CH$LINK: INCHIKEY ARGKVCXINMKCAZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086011.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086011.txt index 3a821e6eae5..d8f9043c6d4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086011.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086011.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086011 -RECORD_TITLE: (S)-4'-Methoxy-3',5,7-trihydroxyflavone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neohesperidin, hesperetin-7-O-neohesperidoside, Hesp-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-4'-Methoxy-3',5,7-trihydroxyflavone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neohesperidin, hesperetin-7-O-neohesperidoside, Hesp-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:442439 CH$LINK: INCHIKEY ARGKVCXINMKCAZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086012.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086012.txt index 604b9700408..3de5af8bf38 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086012.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086012.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086012 -RECORD_TITLE: (S)-4'-Methoxy-3',5,7-trihydroxyflavone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neohesperidin, hesperetin-7-O-neohesperidoside, Hesp-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-4'-Methoxy-3',5,7-trihydroxyflavone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Neohesperidin, hesperetin-7-O-neohesperidoside, Hesp-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:442439 CH$LINK: INCHIKEY ARGKVCXINMKCAZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086101.txt index ca19f8a8b1e..3ee324b793e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086101 -RECORD_TITLE: dihydrohesperetin-7-O-neohesperidoside, 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, NHDC, Neohesperidin dihydrochalcone, DihyHesp-7-Glc-2pp_Man; LC-ESI-QQ; MS2 +RECORD_TITLE: dihydrohesperetin-7-O-neohesperidoside, 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, NHDC, Neohesperidin dihydrochalcone, DihyHesp-7-Glc-2pp_Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:30231 CH$LINK: INCHIKEY ITVGXXMINPYUHD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086102.txt index 29bce337cd7..5b472c57727 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086102 -RECORD_TITLE: dihydrohesperetin-7-O-neohesperidoside, 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, NHDC, Neohesperidin dihydrochalcone, DihyHesp-7-Glc-2pp_Man; LC-ESI-QQ; MS2 +RECORD_TITLE: dihydrohesperetin-7-O-neohesperidoside, 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, NHDC, Neohesperidin dihydrochalcone, DihyHesp-7-Glc-2pp_Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:30231 CH$LINK: INCHIKEY ITVGXXMINPYUHD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086103.txt index 55ebd7bf8b8..85a234610c8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086103 -RECORD_TITLE: dihydrohesperetin-7-O-neohesperidoside, 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, NHDC, Neohesperidin dihydrochalcone, DihyHesp-7-Glc-2pp_Man; LC-ESI-QQ; MS2 +RECORD_TITLE: dihydrohesperetin-7-O-neohesperidoside, 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, NHDC, Neohesperidin dihydrochalcone, DihyHesp-7-Glc-2pp_Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:30231 CH$LINK: INCHIKEY ITVGXXMINPYUHD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086104.txt index aa81b4edbdc..d9cacbc6d75 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086104 -RECORD_TITLE: dihydrohesperetin-7-O-neohesperidoside, 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, NHDC, Neohesperidin dihydrochalcone, DihyHesp-7-Glc-2pp_Man; LC-ESI-QQ; MS2 +RECORD_TITLE: dihydrohesperetin-7-O-neohesperidoside, 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, NHDC, Neohesperidin dihydrochalcone, DihyHesp-7-Glc-2pp_Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:30231 CH$LINK: INCHIKEY ITVGXXMINPYUHD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086105.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086105.txt index 3beeff59c09..c0ecb1ba7ed 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086105.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086105 -RECORD_TITLE: dihydrohesperetin-7-O-neohesperidoside, 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, NHDC, Neohesperidin dihydrochalcone, DihyHesp-7-Glc-2pp_Man; LC-ESI-QQ; MS2 +RECORD_TITLE: dihydrohesperetin-7-O-neohesperidoside, 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, NHDC, Neohesperidin dihydrochalcone, DihyHesp-7-Glc-2pp_Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:30231 CH$LINK: INCHIKEY ITVGXXMINPYUHD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086106.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086106.txt index 6a58f45eac5..2fd93549df2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086106.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086106 -RECORD_TITLE: dihydrohesperetin-7-O-neohesperidoside, 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, NHDC, Neohesperidin dihydrochalcone, DihyHesp-7-Glc-2pp_Man; LC-ESI-QQ; MS2 +RECORD_TITLE: dihydrohesperetin-7-O-neohesperidoside, 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, NHDC, Neohesperidin dihydrochalcone, DihyHesp-7-Glc-2pp_Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:30231 CH$LINK: INCHIKEY ITVGXXMINPYUHD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086107.txt index 414658ed96e..96e8b5ec601 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086107 -RECORD_TITLE: dihydrohesperetin-7-O-neohesperidoside, 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, NHDC, Neohesperidin dihydrochalcone, DihyHesp-7-Glc-2pp_Man; LC-ESI-QQ; MS2 +RECORD_TITLE: dihydrohesperetin-7-O-neohesperidoside, 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, NHDC, Neohesperidin dihydrochalcone, DihyHesp-7-Glc-2pp_Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:30231 CH$LINK: INCHIKEY ITVGXXMINPYUHD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086108.txt index bd4015d5711..7ff00ab6519 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086108 -RECORD_TITLE: dihydrohesperetin-7-O-neohesperidoside, 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, NHDC, Neohesperidin dihydrochalcone, DihyHesp-7-Glc-2pp_Man; LC-ESI-QQ; MS2 +RECORD_TITLE: dihydrohesperetin-7-O-neohesperidoside, 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, NHDC, Neohesperidin dihydrochalcone, DihyHesp-7-Glc-2pp_Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:30231 CH$LINK: INCHIKEY ITVGXXMINPYUHD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086109.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086109.txt index 3431bb5693d..dcaeee64d41 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086109.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086109 -RECORD_TITLE: dihydrohesperetin-7-O-neohesperidoside, 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, NHDC, Neohesperidin dihydrochalcone, DihyHesp-7-Glc-2pp_Man; LC-ESI-QQ; MS2 +RECORD_TITLE: dihydrohesperetin-7-O-neohesperidoside, 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, NHDC, Neohesperidin dihydrochalcone, DihyHesp-7-Glc-2pp_Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:30231 CH$LINK: INCHIKEY ITVGXXMINPYUHD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086110.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086110.txt index a3397723996..f6cfe6f014d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086110.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086110.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086110 -RECORD_TITLE: dihydrohesperetin-7-O-neohesperidoside, 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, NHDC, Neohesperidin dihydrochalcone, DihyHesp-7-Glc-2pp_Man; LC-ESI-QQ; MS2 +RECORD_TITLE: dihydrohesperetin-7-O-neohesperidoside, 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, NHDC, Neohesperidin dihydrochalcone, DihyHesp-7-Glc-2pp_Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:30231 CH$LINK: INCHIKEY ITVGXXMINPYUHD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086111.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086111.txt index 59357345653..e9260ceb235 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086111.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086111.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086111 -RECORD_TITLE: dihydrohesperetin-7-O-neohesperidoside, 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, NHDC, Neohesperidin dihydrochalcone, DihyHesp-7-Glc-2pp_Man; LC-ESI-QQ; MS2 +RECORD_TITLE: dihydrohesperetin-7-O-neohesperidoside, 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, NHDC, Neohesperidin dihydrochalcone, DihyHesp-7-Glc-2pp_Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:30231 CH$LINK: INCHIKEY ITVGXXMINPYUHD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086112.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086112.txt index 73cffaa8d45..97b4d158b15 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086112.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086112.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086112 -RECORD_TITLE: dihydrohesperetin-7-O-neohesperidoside, 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, NHDC, Neohesperidin dihydrochalcone, DihyHesp-7-Glc-2pp_Man; LC-ESI-QQ; MS2 +RECORD_TITLE: dihydrohesperetin-7-O-neohesperidoside, 3,5-Dihydroxy-4-(3-hydroxy-4-methoxyhydrocinnamoyl)phenyl-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside, NHDC, Neohesperidin dihydrochalcone, DihyHesp-7-Glc-2pp_Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:30231 CH$LINK: INCHIKEY ITVGXXMINPYUHD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086201.txt index 814dd5c7eb3..c6545697f17 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086201 -RECORD_TITLE: Ononin; LC-ESI-QQ; MS2 +RECORD_TITLE: Ononin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:442813 CH$LINK: INCHIKEY MGJLSBDCWOSMHL-MIUGBVLSSA-N CH$LINK: ChemOnt CHEMONTID:0000507; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid O-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086202.txt index a99215bdea6..b891daa5d04 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086202 -RECORD_TITLE: Ononin; LC-ESI-QQ; MS2 +RECORD_TITLE: Ononin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:442813 CH$LINK: INCHIKEY MGJLSBDCWOSMHL-MIUGBVLSSA-N CH$LINK: ChemOnt CHEMONTID:0000507; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid O-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086203.txt index a0edeb9ecf6..6385a7a745c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086203 -RECORD_TITLE: Ononin; LC-ESI-QQ; MS2 +RECORD_TITLE: Ononin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:442813 CH$LINK: INCHIKEY MGJLSBDCWOSMHL-MIUGBVLSSA-N CH$LINK: ChemOnt CHEMONTID:0000507; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid O-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086204.txt index db88d080615..687078495c5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086204 -RECORD_TITLE: Ononin; LC-ESI-QQ; MS2 +RECORD_TITLE: Ononin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:442813 CH$LINK: INCHIKEY MGJLSBDCWOSMHL-MIUGBVLSSA-N CH$LINK: ChemOnt CHEMONTID:0000507; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid O-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086205.txt index 999bd25c8c6..b041acf91b3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086205 -RECORD_TITLE: Ononin; LC-ESI-QQ; MS2 +RECORD_TITLE: Ononin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:442813 CH$LINK: INCHIKEY MGJLSBDCWOSMHL-MIUGBVLSSA-N CH$LINK: ChemOnt CHEMONTID:0000507; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid O-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086206.txt index 9d75fa562e4..5c32c308b59 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086206 -RECORD_TITLE: Ononin; LC-ESI-QQ; MS2 +RECORD_TITLE: Ononin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:442813 CH$LINK: INCHIKEY MGJLSBDCWOSMHL-MIUGBVLSSA-N CH$LINK: ChemOnt CHEMONTID:0000507; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid O-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086301.txt index fb5288ec5c8..4c9ac4774ac 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086301 -RECORD_TITLE: Lutl-8-C-Glc, luteolin-8-c-beta-d-glucopyranoside, 8-beta-D-glucosylluteolin, Lutexin, luteolin-8-C-glucoside, Orientin; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-8-C-Glc, luteolin-8-c-beta-d-glucopyranoside, 8-beta-D-glucosylluteolin, Lutexin, luteolin-8-C-glucoside, Orientin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281675 CH$LINK: INCHIKEY PLAPMLGJVGLZOV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086302.txt index ed50268954d..c623cce3da7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086302 -RECORD_TITLE: Lutl-8-C-Glc, luteolin-8-c-beta-d-glucopyranoside, 8-beta-D-glucosylluteolin, Lutexin, luteolin-8-C-glucoside, Orientin; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-8-C-Glc, luteolin-8-c-beta-d-glucopyranoside, 8-beta-D-glucosylluteolin, Lutexin, luteolin-8-C-glucoside, Orientin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281675 CH$LINK: INCHIKEY PLAPMLGJVGLZOV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086303.txt index 906d44e06ae..ae193aab452 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086303 -RECORD_TITLE: Lutl-8-C-Glc, luteolin-8-c-beta-d-glucopyranoside, 8-beta-D-glucosylluteolin, Lutexin, luteolin-8-C-glucoside, Orientin; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-8-C-Glc, luteolin-8-c-beta-d-glucopyranoside, 8-beta-D-glucosylluteolin, Lutexin, luteolin-8-C-glucoside, Orientin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281675 CH$LINK: INCHIKEY PLAPMLGJVGLZOV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086304.txt index ce48ef6e3a3..daa87d17c48 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086304 -RECORD_TITLE: Lutl-8-C-Glc, luteolin-8-c-beta-d-glucopyranoside, 8-beta-D-glucosylluteolin, Lutexin, luteolin-8-C-glucoside, Orientin; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-8-C-Glc, luteolin-8-c-beta-d-glucopyranoside, 8-beta-D-glucosylluteolin, Lutexin, luteolin-8-C-glucoside, Orientin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281675 CH$LINK: INCHIKEY PLAPMLGJVGLZOV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086305.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086305.txt index 63b72ad841c..9d4c11f77e8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086305.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086305 -RECORD_TITLE: Lutl-8-C-Glc, luteolin-8-c-beta-d-glucopyranoside, 8-beta-D-glucosylluteolin, Lutexin, luteolin-8-C-glucoside, Orientin; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-8-C-Glc, luteolin-8-c-beta-d-glucopyranoside, 8-beta-D-glucosylluteolin, Lutexin, luteolin-8-C-glucoside, Orientin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281675 CH$LINK: INCHIKEY PLAPMLGJVGLZOV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086307.txt index 8dce2966066..a1d01c0b963 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086307 -RECORD_TITLE: Lutl-8-C-Glc, luteolin-8-c-beta-d-glucopyranoside, 8-beta-D-glucosylluteolin, Lutexin, luteolin-8-C-glucoside, Orientin; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-8-C-Glc, luteolin-8-c-beta-d-glucopyranoside, 8-beta-D-glucosylluteolin, Lutexin, luteolin-8-C-glucoside, Orientin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281675 CH$LINK: INCHIKEY PLAPMLGJVGLZOV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086308.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086308.txt index 7a91dfb7231..794e772ff50 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086308.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086308.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086308 -RECORD_TITLE: Lutl-8-C-Glc, luteolin-8-c-beta-d-glucopyranoside, 8-beta-D-glucosylluteolin, Lutexin, luteolin-8-C-glucoside, Orientin; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-8-C-Glc, luteolin-8-c-beta-d-glucopyranoside, 8-beta-D-glucosylluteolin, Lutexin, luteolin-8-C-glucoside, Orientin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281675 CH$LINK: INCHIKEY PLAPMLGJVGLZOV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086309.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086309.txt index 8d0cfca8483..25050c4de39 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086309.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086309.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086309 -RECORD_TITLE: Lutl-8-C-Glc, luteolin-8-c-beta-d-glucopyranoside, 8-beta-D-glucosylluteolin, Lutexin, luteolin-8-C-glucoside, Orientin; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-8-C-Glc, luteolin-8-c-beta-d-glucopyranoside, 8-beta-D-glucosylluteolin, Lutexin, luteolin-8-C-glucoside, Orientin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281675 CH$LINK: INCHIKEY PLAPMLGJVGLZOV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086310.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086310.txt index e409dbf3b24..199d88c7632 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086310.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086310.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086310 -RECORD_TITLE: Lutl-8-C-Glc, luteolin-8-c-beta-d-glucopyranoside, 8-beta-D-glucosylluteolin, Lutexin, luteolin-8-C-glucoside, Orientin; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-8-C-Glc, luteolin-8-c-beta-d-glucopyranoside, 8-beta-D-glucosylluteolin, Lutexin, luteolin-8-C-glucoside, Orientin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281675 CH$LINK: INCHIKEY PLAPMLGJVGLZOV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086311.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086311.txt index 9efe287fc1f..17c82bfea37 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086311.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086311.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086311 -RECORD_TITLE: Lutl-8-C-Glc, luteolin-8-c-beta-d-glucopyranoside, 8-beta-D-glucosylluteolin, Lutexin, luteolin-8-C-glucoside, Orientin; LC-ESI-QQ; MS2 +RECORD_TITLE: Lutl-8-C-Glc, luteolin-8-c-beta-d-glucopyranoside, 8-beta-D-glucosylluteolin, Lutexin, luteolin-8-C-glucoside, Orientin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281675 CH$LINK: INCHIKEY PLAPMLGJVGLZOV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086401.txt index 8276352babe..f5ff153aef7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086401 -RECORD_TITLE: Phlorizin; LC-ESI-QQ; MS2 +RECORD_TITLE: Phlorizin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:6072 CH$LINK: INCHIKEY IOUVKUPGCMBWBT-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086402.txt index 59e4db02270..66ed940c2a1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086402 -RECORD_TITLE: Phlorizin; LC-ESI-QQ; MS2 +RECORD_TITLE: Phlorizin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:6072 CH$LINK: INCHIKEY IOUVKUPGCMBWBT-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086403.txt index 31318a1fd98..7f7b1662a70 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086403 -RECORD_TITLE: Phlorizin; LC-ESI-QQ; MS2 +RECORD_TITLE: Phlorizin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:6072 CH$LINK: INCHIKEY IOUVKUPGCMBWBT-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086404.txt index 440be32b2e3..dfe4faf2cb3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086404 -RECORD_TITLE: Phlorizin; LC-ESI-QQ; MS2 +RECORD_TITLE: Phlorizin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:6072 CH$LINK: INCHIKEY IOUVKUPGCMBWBT-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086405.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086405.txt index 33516810e9c..a72c314ff40 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086405.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086405 -RECORD_TITLE: Phlorizin; LC-ESI-QQ; MS2 +RECORD_TITLE: Phlorizin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:6072 CH$LINK: INCHIKEY IOUVKUPGCMBWBT-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086406.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086406.txt index 545e9752e79..a79b7b01af2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086406.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086406.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086406 -RECORD_TITLE: Phlorizin; LC-ESI-QQ; MS2 +RECORD_TITLE: Phlorizin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:6072 CH$LINK: INCHIKEY IOUVKUPGCMBWBT-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086407.txt index d407a4589ed..b05930dae26 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086407 -RECORD_TITLE: Phlorizin; LC-ESI-QQ; MS2 +RECORD_TITLE: Phlorizin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:6072 CH$LINK: INCHIKEY IOUVKUPGCMBWBT-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086408.txt index fe715ce541a..c3ac19eb900 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086408 -RECORD_TITLE: Phlorizin; LC-ESI-QQ; MS2 +RECORD_TITLE: Phlorizin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:6072 CH$LINK: INCHIKEY IOUVKUPGCMBWBT-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086409.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086409.txt index fdc7255a532..695b4f1a13c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086409.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086409 -RECORD_TITLE: Phlorizin; LC-ESI-QQ; MS2 +RECORD_TITLE: Phlorizin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:6072 CH$LINK: INCHIKEY IOUVKUPGCMBWBT-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086410.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086410.txt index 477c9d1c550..b422fcffc31 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086410.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086410.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086410 -RECORD_TITLE: Phlorizin; LC-ESI-QQ; MS2 +RECORD_TITLE: Phlorizin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:6072 CH$LINK: INCHIKEY IOUVKUPGCMBWBT-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086411.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086411.txt index 0979c4dd5ef..b1128105082 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086411.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086411.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086411 -RECORD_TITLE: Phlorizin; LC-ESI-QQ; MS2 +RECORD_TITLE: Phlorizin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:6072 CH$LINK: INCHIKEY IOUVKUPGCMBWBT-QNDFHXLGSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086501.txt index da38d384a3a..966364600ba 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086501 -RECORD_TITLE: isosakuranetin-7-O-neohesperidoside, (S)-5,7-Dihydroxy-4'-methoxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Poncirin, Issk-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: isosakuranetin-7-O-neohesperidoside, (S)-5,7-Dihydroxy-4'-methoxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Poncirin, Issk-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:442456 CH$LINK: INCHIKEY NLAWPKPYBMEWIR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086502.txt index 55e949513e3..8075dce342b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086502 -RECORD_TITLE: isosakuranetin-7-O-neohesperidoside, (S)-5,7-Dihydroxy-4'-methoxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Poncirin, Issk-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: isosakuranetin-7-O-neohesperidoside, (S)-5,7-Dihydroxy-4'-methoxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Poncirin, Issk-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:442456 CH$LINK: INCHIKEY NLAWPKPYBMEWIR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086503.txt index 9da63ecd7b6..e59c1e0063b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086503 -RECORD_TITLE: isosakuranetin-7-O-neohesperidoside, (S)-5,7-Dihydroxy-4'-methoxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Poncirin, Issk-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: isosakuranetin-7-O-neohesperidoside, (S)-5,7-Dihydroxy-4'-methoxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Poncirin, Issk-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:442456 CH$LINK: INCHIKEY NLAWPKPYBMEWIR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086504.txt index 9851e303118..198f5a4839a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086504 -RECORD_TITLE: isosakuranetin-7-O-neohesperidoside, (S)-5,7-Dihydroxy-4'-methoxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Poncirin, Issk-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: isosakuranetin-7-O-neohesperidoside, (S)-5,7-Dihydroxy-4'-methoxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Poncirin, Issk-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:442456 CH$LINK: INCHIKEY NLAWPKPYBMEWIR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086505.txt index 354400a1d5f..9d4d0bd87d9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086505 -RECORD_TITLE: isosakuranetin-7-O-neohesperidoside, (S)-5,7-Dihydroxy-4'-methoxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Poncirin, Issk-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: isosakuranetin-7-O-neohesperidoside, (S)-5,7-Dihydroxy-4'-methoxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Poncirin, Issk-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:442456 CH$LINK: INCHIKEY NLAWPKPYBMEWIR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086506.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086506.txt index f11c56a074a..dd8d5462979 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086506.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086506 -RECORD_TITLE: isosakuranetin-7-O-neohesperidoside, (S)-5,7-Dihydroxy-4'-methoxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Poncirin, Issk-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: isosakuranetin-7-O-neohesperidoside, (S)-5,7-Dihydroxy-4'-methoxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Poncirin, Issk-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:442456 CH$LINK: INCHIKEY NLAWPKPYBMEWIR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086507.txt index b33f2b01078..51ac5f91693 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086507 -RECORD_TITLE: isosakuranetin-7-O-neohesperidoside, (S)-5,7-Dihydroxy-4'-methoxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Poncirin, Issk-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: isosakuranetin-7-O-neohesperidoside, (S)-5,7-Dihydroxy-4'-methoxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Poncirin, Issk-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:442456 CH$LINK: INCHIKEY NLAWPKPYBMEWIR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086508.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086508.txt index 7d414624c87..0f847d5c26e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086508.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086508 -RECORD_TITLE: isosakuranetin-7-O-neohesperidoside, (S)-5,7-Dihydroxy-4'-methoxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Poncirin, Issk-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: isosakuranetin-7-O-neohesperidoside, (S)-5,7-Dihydroxy-4'-methoxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Poncirin, Issk-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:442456 CH$LINK: INCHIKEY NLAWPKPYBMEWIR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086509.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086509.txt index 98137dfbcc4..cc07ed639cb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086509.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086509.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086509 -RECORD_TITLE: isosakuranetin-7-O-neohesperidoside, (S)-5,7-Dihydroxy-4'-methoxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Poncirin, Issk-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: isosakuranetin-7-O-neohesperidoside, (S)-5,7-Dihydroxy-4'-methoxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Poncirin, Issk-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:442456 CH$LINK: INCHIKEY NLAWPKPYBMEWIR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086510.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086510.txt index fcb9ff928b8..caf80a1ebfd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086510.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086510.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086510 -RECORD_TITLE: isosakuranetin-7-O-neohesperidoside, (S)-5,7-Dihydroxy-4'-methoxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Poncirin, Issk-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: isosakuranetin-7-O-neohesperidoside, (S)-5,7-Dihydroxy-4'-methoxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Poncirin, Issk-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:442456 CH$LINK: INCHIKEY NLAWPKPYBMEWIR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086511.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086511.txt index bc16b3c2870..ea4eba80a3f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086511.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086511.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086511 -RECORD_TITLE: isosakuranetin-7-O-neohesperidoside, (S)-5,7-Dihydroxy-4'-methoxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Poncirin, Issk-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: isosakuranetin-7-O-neohesperidoside, (S)-5,7-Dihydroxy-4'-methoxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Poncirin, Issk-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:442456 CH$LINK: INCHIKEY NLAWPKPYBMEWIR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086512.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086512.txt index 440493bf06f..4730cc8edd5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086512.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086512.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086512 -RECORD_TITLE: isosakuranetin-7-O-neohesperidoside, (S)-5,7-Dihydroxy-4'-methoxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Poncirin, Issk-7-Glc-2pp-Man; LC-ESI-QQ; MS2 +RECORD_TITLE: isosakuranetin-7-O-neohesperidoside, (S)-5,7-Dihydroxy-4'-methoxyflavanone-7-(2-O-(alpha-L-rhamnopyranosyl)-beta-D-Glucopyranoside)), Poncirin, Issk-7-Glc-2pp-Man; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:442456 CH$LINK: INCHIKEY NLAWPKPYBMEWIR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086601.txt index d96d1574b63..82451a91a34 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086601 -RECORD_TITLE: Sakuranetin; LC-ESI-QQ; MS2 +RECORD_TITLE: Sakuranetin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:73571 CH$LINK: INCHIKEY DJOJDHGQRNZXQQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086602.txt index 08478c868d4..794bb0ec3d7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086602 -RECORD_TITLE: Sakuranetin; LC-ESI-QQ; MS2 +RECORD_TITLE: Sakuranetin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:73571 CH$LINK: INCHIKEY DJOJDHGQRNZXQQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086603.txt index fff772c68f1..fab9d190c84 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086603 -RECORD_TITLE: Sakuranetin; LC-ESI-QQ; MS2 +RECORD_TITLE: Sakuranetin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:73571 CH$LINK: INCHIKEY DJOJDHGQRNZXQQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086604.txt index d782d9dd49a..2861b2a756a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086604 -RECORD_TITLE: Sakuranetin; LC-ESI-QQ; MS2 +RECORD_TITLE: Sakuranetin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:73571 CH$LINK: INCHIKEY DJOJDHGQRNZXQQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086605.txt index b3de53abd85..375fce73917 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086605 -RECORD_TITLE: Sakuranetin; LC-ESI-QQ; MS2 +RECORD_TITLE: Sakuranetin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:73571 CH$LINK: INCHIKEY DJOJDHGQRNZXQQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002585; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; O-methylated flavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086701.txt index 4c442c97367..75dfb264f35 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086701 -RECORD_TITLE: Saponarin, Isovitexin-7-O-beta-D-glucopyranoside, Saponaretin-7-O-glucoside, Isovitexin-7-O-glucoside, Apig-6-C-Glc-7-Glc, apigenin-6-C-glucoside -7-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Saponarin, Isovitexin-7-O-beta-D-glucopyranoside, Saponaretin-7-O-glucoside, Isovitexin-7-O-glucoside, Apig-6-C-Glc-7-Glc, apigenin-6-C-glucoside -7-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:441381 CH$LINK: INCHIKEY HGUVPEBGCAVWID-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086702.txt index 3ebae877fd8..a34ad26193b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086702 -RECORD_TITLE: Saponarin, Isovitexin-7-O-beta-D-glucopyranoside, Saponaretin-7-O-glucoside, Isovitexin-7-O-glucoside, Apig-6-C-Glc-7-Glc, apigenin-6-C-glucoside -7-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Saponarin, Isovitexin-7-O-beta-D-glucopyranoside, Saponaretin-7-O-glucoside, Isovitexin-7-O-glucoside, Apig-6-C-Glc-7-Glc, apigenin-6-C-glucoside -7-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:441381 CH$LINK: INCHIKEY HGUVPEBGCAVWID-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086704.txt index 9fb61dd5a29..c9a9496a888 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086704 -RECORD_TITLE: Saponarin, Isovitexin-7-O-beta-D-glucopyranoside, Saponaretin-7-O-glucoside, Isovitexin-7-O-glucoside, Apig-6-C-Glc-7-Glc, apigenin-6-C-glucoside -7-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Saponarin, Isovitexin-7-O-beta-D-glucopyranoside, Saponaretin-7-O-glucoside, Isovitexin-7-O-glucoside, Apig-6-C-Glc-7-Glc, apigenin-6-C-glucoside -7-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:441381 CH$LINK: INCHIKEY HGUVPEBGCAVWID-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086706.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086706.txt index b02e20b0b33..fc70767e2f3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086706.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086706.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086706 -RECORD_TITLE: Saponarin, Isovitexin-7-O-beta-D-glucopyranoside, Saponaretin-7-O-glucoside, Isovitexin-7-O-glucoside, Apig-6-C-Glc-7-Glc, apigenin-6-C-glucoside -7-O-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Saponarin, Isovitexin-7-O-beta-D-glucopyranoside, Saponaretin-7-O-glucoside, Isovitexin-7-O-glucoside, Apig-6-C-Glc-7-Glc, apigenin-6-C-glucoside -7-O-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:441381 CH$LINK: INCHIKEY HGUVPEBGCAVWID-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086801.txt index d256ae84c57..13c3ab2f3b6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086801 -RECORD_TITLE: astroside, Biochanin-alpha-7-Glucoside, Sissotrin, Sissostrin; LC-ESI-QQ; MS2 +RECORD_TITLE: astroside, Biochanin-alpha-7-Glucoside, Sissotrin, Sissostrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5280781 CH$LINK: INCHIKEY LFEUICHQZGNOHD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000507; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid O-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086802.txt index 9fdb3c5125b..e0d5dd88e73 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086802 -RECORD_TITLE: astroside, Biochanin-alpha-7-Glucoside, Sissotrin, Sissostrin; LC-ESI-QQ; MS2 +RECORD_TITLE: astroside, Biochanin-alpha-7-Glucoside, Sissotrin, Sissostrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5280781 CH$LINK: INCHIKEY LFEUICHQZGNOHD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000507; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid O-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086803.txt index bb10b5ad937..0b55d127156 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086803 -RECORD_TITLE: astroside, Biochanin-alpha-7-Glucoside, Sissotrin, Sissostrin; LC-ESI-QQ; MS2 +RECORD_TITLE: astroside, Biochanin-alpha-7-Glucoside, Sissotrin, Sissostrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5280781 CH$LINK: INCHIKEY LFEUICHQZGNOHD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000507; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid O-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086804.txt index 8d33dc5ddc7..53c7555daf8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086804 -RECORD_TITLE: astroside, Biochanin-alpha-7-Glucoside, Sissotrin, Sissostrin; LC-ESI-QQ; MS2 +RECORD_TITLE: astroside, Biochanin-alpha-7-Glucoside, Sissotrin, Sissostrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5280781 CH$LINK: INCHIKEY LFEUICHQZGNOHD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000507; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid O-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086805.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086805.txt index 90cfb6f23e5..7a442f359c7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086805.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086805 -RECORD_TITLE: astroside, Biochanin-alpha-7-Glucoside, Sissotrin, Sissostrin; LC-ESI-QQ; MS2 +RECORD_TITLE: astroside, Biochanin-alpha-7-Glucoside, Sissotrin, Sissostrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5280781 CH$LINK: INCHIKEY LFEUICHQZGNOHD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000507; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid O-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086806.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086806.txt index b7fb29a88bb..57960dbc1b2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086806.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086806.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086806 -RECORD_TITLE: astroside, Biochanin-alpha-7-Glucoside, Sissotrin, Sissostrin; LC-ESI-QQ; MS2 +RECORD_TITLE: astroside, Biochanin-alpha-7-Glucoside, Sissotrin, Sissostrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5280781 CH$LINK: INCHIKEY LFEUICHQZGNOHD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000507; Organic compounds; Phenylpropanoids and polyketides; Isoflavonoids; Isoflavonoid O-glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086901.txt index e740cf0b2a0..c0e51e14651 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086901 -RECORD_TITLE: Spiraeoside, Spiraein, quercetin-4'-glucoside, Quer-4p-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: Spiraeoside, Spiraein, quercetin-4'-glucoside, Quer-4p-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5320844 CH$LINK: INCHIKEY OIUBYZLTFSLSBY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086902.txt index 9ff731ad60c..2e03c6da95a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086902 -RECORD_TITLE: Spiraeoside, Spiraein, quercetin-4'-glucoside, Quer-4p-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: Spiraeoside, Spiraein, quercetin-4'-glucoside, Quer-4p-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5320844 CH$LINK: INCHIKEY OIUBYZLTFSLSBY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086903.txt index 885a5b1cfca..1805572c5db 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086903 -RECORD_TITLE: Spiraeoside, Spiraein, quercetin-4'-glucoside, Quer-4p-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: Spiraeoside, Spiraein, quercetin-4'-glucoside, Quer-4p-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5320844 CH$LINK: INCHIKEY OIUBYZLTFSLSBY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086904.txt index b7a594f732a..83bfd701f7f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086904 -RECORD_TITLE: Spiraeoside, Spiraein, quercetin-4'-glucoside, Quer-4p-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: Spiraeoside, Spiraein, quercetin-4'-glucoside, Quer-4p-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5320844 CH$LINK: INCHIKEY OIUBYZLTFSLSBY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086905.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086905.txt index 383835563e1..33f0c5e5cd5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086905.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086905 -RECORD_TITLE: Spiraeoside, Spiraein, quercetin-4'-glucoside, Quer-4p-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: Spiraeoside, Spiraein, quercetin-4'-glucoside, Quer-4p-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5320844 CH$LINK: INCHIKEY OIUBYZLTFSLSBY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086906.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086906.txt index 822e87c1d52..dec007b62a2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086906.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086906.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086906 -RECORD_TITLE: Spiraeoside, Spiraein, quercetin-4'-glucoside, Quer-4p-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: Spiraeoside, Spiraein, quercetin-4'-glucoside, Quer-4p-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5320844 CH$LINK: INCHIKEY OIUBYZLTFSLSBY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086907.txt index 4685d477b42..ce0cc88cbef 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086907 -RECORD_TITLE: Spiraeoside, Spiraein, quercetin-4'-glucoside, Quer-4p-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: Spiraeoside, Spiraein, quercetin-4'-glucoside, Quer-4p-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5320844 CH$LINK: INCHIKEY OIUBYZLTFSLSBY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086908.txt index 9e18fc16f49..51dc503df1d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086908 -RECORD_TITLE: Spiraeoside, Spiraein, quercetin-4'-glucoside, Quer-4p-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: Spiraeoside, Spiraein, quercetin-4'-glucoside, Quer-4p-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5320844 CH$LINK: INCHIKEY OIUBYZLTFSLSBY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086909.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086909.txt index 33edb34606d..165e27e73d0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086909.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086909 -RECORD_TITLE: Spiraeoside, Spiraein, quercetin-4'-glucoside, Quer-4p-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: Spiraeoside, Spiraein, quercetin-4'-glucoside, Quer-4p-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5320844 CH$LINK: INCHIKEY OIUBYZLTFSLSBY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086910.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086910.txt index 00ef639c051..f733336d55f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086910.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086910.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086910 -RECORD_TITLE: Spiraeoside, Spiraein, quercetin-4'-glucoside, Quer-4p-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: Spiraeoside, Spiraein, quercetin-4'-glucoside, Quer-4p-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5320844 CH$LINK: INCHIKEY OIUBYZLTFSLSBY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086911.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086911.txt index 14538d24c18..f59745f0a30 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086911.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS086911.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS086911 -RECORD_TITLE: Spiraeoside, Spiraein, quercetin-4'-glucoside, Quer-4p-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: Spiraeoside, Spiraein, quercetin-4'-glucoside, Quer-4p-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5320844 CH$LINK: INCHIKEY OIUBYZLTFSLSBY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087001.txt index 8624b65f71e..846b3d4a110 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087001 -RECORD_TITLE: syringetin-3-O-galactoside, Syrg-3-Gal; LC-ESI-QQ; MS2 +RECORD_TITLE: syringetin-3-O-galactoside, Syrg-3-Gal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5321576 CH$LINK: INCHIKEY JMFWYRWPJVEZPV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087002.txt index 14563323030..3fa4af46025 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087002 -RECORD_TITLE: syringetin-3-O-galactoside, Syrg-3-Gal; LC-ESI-QQ; MS2 +RECORD_TITLE: syringetin-3-O-galactoside, Syrg-3-Gal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5321576 CH$LINK: INCHIKEY JMFWYRWPJVEZPV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087003.txt index eacf9e708b0..c363db8f416 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087003 -RECORD_TITLE: syringetin-3-O-galactoside, Syrg-3-Gal; LC-ESI-QQ; MS2 +RECORD_TITLE: syringetin-3-O-galactoside, Syrg-3-Gal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5321576 CH$LINK: INCHIKEY JMFWYRWPJVEZPV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087004.txt index be7ee4fbc58..c6e4ea2942f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087004 -RECORD_TITLE: syringetin-3-O-galactoside, Syrg-3-Gal; LC-ESI-QQ; MS2 +RECORD_TITLE: syringetin-3-O-galactoside, Syrg-3-Gal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5321576 CH$LINK: INCHIKEY JMFWYRWPJVEZPV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087005.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087005.txt index 4bf1bd36f0d..dc8386ae076 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087005.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087005 -RECORD_TITLE: syringetin-3-O-galactoside, Syrg-3-Gal; LC-ESI-QQ; MS2 +RECORD_TITLE: syringetin-3-O-galactoside, Syrg-3-Gal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5321576 CH$LINK: INCHIKEY JMFWYRWPJVEZPV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087007.txt index c03657bdbbb..0adfea9f186 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087007 -RECORD_TITLE: syringetin-3-O-galactoside, Syrg-3-Gal; LC-ESI-QQ; MS2 +RECORD_TITLE: syringetin-3-O-galactoside, Syrg-3-Gal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5321576 CH$LINK: INCHIKEY JMFWYRWPJVEZPV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087008.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087008.txt index 5456b819c6f..02c69b92838 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087008.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087008 -RECORD_TITLE: syringetin-3-O-galactoside, Syrg-3-Gal; LC-ESI-QQ; MS2 +RECORD_TITLE: syringetin-3-O-galactoside, Syrg-3-Gal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5321576 CH$LINK: INCHIKEY JMFWYRWPJVEZPV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087009.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087009.txt index 9afd1a5c2cf..9b341cba0bc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087009.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087009 -RECORD_TITLE: syringetin-3-O-galactoside, Syrg-3-Gal; LC-ESI-QQ; MS2 +RECORD_TITLE: syringetin-3-O-galactoside, Syrg-3-Gal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5321576 CH$LINK: INCHIKEY JMFWYRWPJVEZPV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087010.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087010.txt index 8e7bb4560b0..f86b2c31283 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087010.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087010.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087010 -RECORD_TITLE: syringetin-3-O-galactoside, Syrg-3-Gal; LC-ESI-QQ; MS2 +RECORD_TITLE: syringetin-3-O-galactoside, Syrg-3-Gal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5321576 CH$LINK: INCHIKEY JMFWYRWPJVEZPV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087011.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087011.txt index d7a55d35550..a7b9e176e9f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087011.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087011.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087011 -RECORD_TITLE: syringetin-3-O-galactoside, Syrg-3-Gal; LC-ESI-QQ; MS2 +RECORD_TITLE: syringetin-3-O-galactoside, Syrg-3-Gal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5321576 CH$LINK: INCHIKEY JMFWYRWPJVEZPV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087101.txt index 7b669bcec18..b19768bc753 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087101 -RECORD_TITLE: syringetin-3-O-glucoside, Syrg-3-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: syringetin-3-O-glucoside, Syrg-3-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5321577 CH$LINK: INCHIKEY JMFWYRWPJVEZPV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087102.txt index a8bc9f33aa2..f0e79dc68c3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087102 -RECORD_TITLE: syringetin-3-O-glucoside, Syrg-3-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: syringetin-3-O-glucoside, Syrg-3-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5321577 CH$LINK: INCHIKEY JMFWYRWPJVEZPV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087103.txt index 86c87bbfc7f..7e6a05ead4a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087103 -RECORD_TITLE: syringetin-3-O-glucoside, Syrg-3-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: syringetin-3-O-glucoside, Syrg-3-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5321577 CH$LINK: INCHIKEY JMFWYRWPJVEZPV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087104.txt index 453a9edf133..1da5cd25624 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087104 -RECORD_TITLE: syringetin-3-O-glucoside, Syrg-3-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: syringetin-3-O-glucoside, Syrg-3-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5321577 CH$LINK: INCHIKEY JMFWYRWPJVEZPV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087105.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087105.txt index c655c2f697e..dab442cf295 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087105.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087105 -RECORD_TITLE: syringetin-3-O-glucoside, Syrg-3-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: syringetin-3-O-glucoside, Syrg-3-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5321577 CH$LINK: INCHIKEY JMFWYRWPJVEZPV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087107.txt index 6f2ad5d86a4..b3a42a7d624 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087107 -RECORD_TITLE: syringetin-3-O-glucoside, Syrg-3-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: syringetin-3-O-glucoside, Syrg-3-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5321577 CH$LINK: INCHIKEY JMFWYRWPJVEZPV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087108.txt index ce1b7bc5515..49723836ae6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087108 -RECORD_TITLE: syringetin-3-O-glucoside, Syrg-3-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: syringetin-3-O-glucoside, Syrg-3-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5321577 CH$LINK: INCHIKEY JMFWYRWPJVEZPV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087109.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087109.txt index 112da87b62c..c2bcdde4913 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087109.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087109 -RECORD_TITLE: syringetin-3-O-glucoside, Syrg-3-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: syringetin-3-O-glucoside, Syrg-3-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5321577 CH$LINK: INCHIKEY JMFWYRWPJVEZPV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087110.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087110.txt index 7f27e5320ca..fd1e11ebbd9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087110.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087110.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087110 -RECORD_TITLE: syringetin-3-O-glucoside, Syrg-3-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: syringetin-3-O-glucoside, Syrg-3-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5321577 CH$LINK: INCHIKEY JMFWYRWPJVEZPV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087111.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087111.txt index cf2effd1de2..bf934e62257 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087111.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087111.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087111 -RECORD_TITLE: syringetin-3-O-glucoside, Syrg-3-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: syringetin-3-O-glucoside, Syrg-3-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:5321577 CH$LINK: INCHIKEY JMFWYRWPJVEZPV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087201.txt index 2d15e03e936..ed0dda80138 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087201 -RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQ; MS2 +RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5320686 CH$LINK: INCHIKEY DVGGLGXQSFURLP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087202.txt index 330a2ad3622..eac40d57116 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087202 -RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQ; MS2 +RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5320686 CH$LINK: INCHIKEY DVGGLGXQSFURLP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087203.txt index 33833e75765..4e368dc05a9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087203 -RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQ; MS2 +RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5320686 CH$LINK: INCHIKEY DVGGLGXQSFURLP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087204.txt index abf99b37102..baa928266ab 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087204 -RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQ; MS2 +RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5320686 CH$LINK: INCHIKEY DVGGLGXQSFURLP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087205.txt index be62dfa92b3..691adbd0f58 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087205 -RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQ; MS2 +RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5320686 CH$LINK: INCHIKEY DVGGLGXQSFURLP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087206.txt index 7ab45cd93e1..81bcb2d5e89 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087206 -RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQ; MS2 +RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5320686 CH$LINK: INCHIKEY DVGGLGXQSFURLP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087207.txt index cfb23476fef..806b3a0af3f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087207 -RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQ; MS2 +RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5320686 CH$LINK: INCHIKEY DVGGLGXQSFURLP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087208.txt index c6371f72786..272f5b08a5e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087208 -RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQ; MS2 +RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5320686 CH$LINK: INCHIKEY DVGGLGXQSFURLP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087209.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087209.txt index 23e1d375352..57cb8903661 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087209.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087209 -RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQ; MS2 +RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5320686 CH$LINK: INCHIKEY DVGGLGXQSFURLP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087301.txt index f37e3522331..279426afb7f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087301 -RECORD_TITLE: Solasod-5-en-3beta-ol, Purapuridine, Solancarpidine, Solasodine, Salasodine; LC-ESI-QQ; MS2 +RECORD_TITLE: Solasod-5-en-3beta-ol, Purapuridine, Solancarpidine, Solasodine, Salasodine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:442985 CH$LINK: INCHIKEY KWVISVAMQJWJSZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002724; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroidal alkaloids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087302.txt index 683f466085b..0eb08f6912b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087302 -RECORD_TITLE: Solasod-5-en-3beta-ol, Purapuridine, Solancarpidine, Solasodine, Salasodine; LC-ESI-QQ; MS2 +RECORD_TITLE: Solasod-5-en-3beta-ol, Purapuridine, Solancarpidine, Solasodine, Salasodine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:442985 CH$LINK: INCHIKEY KWVISVAMQJWJSZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002724; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroidal alkaloids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087303.txt index 4bf341215c9..e2083f763a1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087303 -RECORD_TITLE: Solasod-5-en-3beta-ol, Purapuridine, Solancarpidine, Solasodine, Salasodine; LC-ESI-QQ; MS2 +RECORD_TITLE: Solasod-5-en-3beta-ol, Purapuridine, Solancarpidine, Solasodine, Salasodine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:442985 CH$LINK: INCHIKEY KWVISVAMQJWJSZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002724; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroidal alkaloids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087304.txt index 42368216f85..d450936edab 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087304 -RECORD_TITLE: Solasod-5-en-3beta-ol, Purapuridine, Solancarpidine, Solasodine, Salasodine; LC-ESI-QQ; MS2 +RECORD_TITLE: Solasod-5-en-3beta-ol, Purapuridine, Solancarpidine, Solasodine, Salasodine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:442985 CH$LINK: INCHIKEY KWVISVAMQJWJSZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002724; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroidal alkaloids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087305.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087305.txt index 953ac563bda..43cacc60d00 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087305.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087305 -RECORD_TITLE: Solasod-5-en-3beta-ol, Purapuridine, Solancarpidine, Solasodine, Salasodine; LC-ESI-QQ; MS2 +RECORD_TITLE: Solasod-5-en-3beta-ol, Purapuridine, Solancarpidine, Solasodine, Salasodine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:442985 CH$LINK: INCHIKEY KWVISVAMQJWJSZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002724; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Steroidal alkaloids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087401.txt index 223a163117f..c2414e4e1bf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087401 -RECORD_TITLE: Vitexin; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitexin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5280441 CH$LINK: INCHIKEY SGEWCQFRYRRZDC-VPRICQMDSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087402.txt index 2e1bffb10b3..8c23779453f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087402 -RECORD_TITLE: Vitexin; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitexin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5280441 CH$LINK: INCHIKEY SGEWCQFRYRRZDC-VPRICQMDSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087403.txt index 74a7a6dcb19..cf58ae33480 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087403 -RECORD_TITLE: Vitexin; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitexin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5280441 CH$LINK: INCHIKEY SGEWCQFRYRRZDC-VPRICQMDSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087405.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087405.txt index ebcb6d2ded7..5bd9f62669e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087405.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087405 -RECORD_TITLE: Vitexin; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitexin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5280441 CH$LINK: INCHIKEY SGEWCQFRYRRZDC-VPRICQMDSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087407.txt index deb00cb253c..e4d43a77af7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087407 -RECORD_TITLE: Vitexin; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitexin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5280441 CH$LINK: INCHIKEY SGEWCQFRYRRZDC-VPRICQMDSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087408.txt index 8c87650ddf4..96ae350e770 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087408 -RECORD_TITLE: Vitexin; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitexin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5280441 CH$LINK: INCHIKEY SGEWCQFRYRRZDC-VPRICQMDSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087409.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087409.txt index edbdfbef088..76816892bad 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087409.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087409 -RECORD_TITLE: Vitexin; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitexin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5280441 CH$LINK: INCHIKEY SGEWCQFRYRRZDC-VPRICQMDSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087410.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087410.txt index 04106aa4876..2a2aaaef8ad 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087410.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087410.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087410 -RECORD_TITLE: Vitexin; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitexin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5280441 CH$LINK: INCHIKEY SGEWCQFRYRRZDC-VPRICQMDSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087411.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087411.txt index fa8b271bbf8..ef253c2b5cd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087411.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087411.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087411 -RECORD_TITLE: Vitexin; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitexin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5280441 CH$LINK: INCHIKEY SGEWCQFRYRRZDC-VPRICQMDSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087412.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087412.txt index 6ab2186fbd2..c6f98d36610 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087412.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087412.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087412 -RECORD_TITLE: Vitexin; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitexin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5280441 CH$LINK: INCHIKEY SGEWCQFRYRRZDC-VPRICQMDSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087501.txt index 96c44d0881f..8a6f2d20e18 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087501 -RECORD_TITLE: Vitexin-2-O-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitexin-2-O-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5282151 CH$LINK: INCHIKEY LYGPBZVKGHHTIE-HUBYJIGHSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087502.txt index c7ce5f87024..7dbb4b19c13 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087502 -RECORD_TITLE: Vitexin-2-O-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitexin-2-O-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5282151 CH$LINK: INCHIKEY LYGPBZVKGHHTIE-HUBYJIGHSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087503.txt index 7788f991bf5..30307d242ba 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087503 -RECORD_TITLE: Vitexin-2-O-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitexin-2-O-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5282151 CH$LINK: INCHIKEY LYGPBZVKGHHTIE-HUBYJIGHSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087504.txt index 68dc1cda171..b831b5ff574 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087504 -RECORD_TITLE: Vitexin-2-O-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitexin-2-O-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5282151 CH$LINK: INCHIKEY LYGPBZVKGHHTIE-HUBYJIGHSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087506.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087506.txt index 31d89dadfc8..701b4569ed8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087506.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087506 -RECORD_TITLE: Vitexin-2-O-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitexin-2-O-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5282151 CH$LINK: INCHIKEY LYGPBZVKGHHTIE-HUBYJIGHSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087507.txt index 44ec060eedd..aa0e72e8b05 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087507 -RECORD_TITLE: Vitexin-2-O-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitexin-2-O-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5282151 CH$LINK: INCHIKEY LYGPBZVKGHHTIE-HUBYJIGHSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087508.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087508.txt index 5d63452a196..f66eda849fa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087508.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087508 -RECORD_TITLE: Vitexin-2-O-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitexin-2-O-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5282151 CH$LINK: INCHIKEY LYGPBZVKGHHTIE-HUBYJIGHSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087509.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087509.txt index 8b73f0cc2f4..9ee56fb388a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087509.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087509.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087509 -RECORD_TITLE: Vitexin-2-O-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitexin-2-O-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5282151 CH$LINK: INCHIKEY LYGPBZVKGHHTIE-HUBYJIGHSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087510.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087510.txt index 1d1dfe98d27..43408dece3e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087510.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087510.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087510 -RECORD_TITLE: Vitexin-2-O-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitexin-2-O-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5282151 CH$LINK: INCHIKEY LYGPBZVKGHHTIE-HUBYJIGHSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087511.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087511.txt index 0d16d64688e..1e4bd4a14f1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087511.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087511.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087511 -RECORD_TITLE: Vitexin-2-O-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitexin-2-O-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5282151 CH$LINK: INCHIKEY LYGPBZVKGHHTIE-HUBYJIGHSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087512.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087512.txt index 618fc929a7a..d3bc2b3531f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087512.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087512.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087512 -RECORD_TITLE: Vitexin-2-O-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitexin-2-O-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5282151 CH$LINK: INCHIKEY LYGPBZVKGHHTIE-HUBYJIGHSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087601.txt index 7ae16d18caf..8f3ed6fe255 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087601 -RECORD_TITLE: cis-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol, (6Z)-3,7,11-trimethyl-1,6,10-dodecatrien-3-ol, cis-Nerolidol; LC-ESI-QQ; MS2 +RECORD_TITLE: cis-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol, (6Z)-3,7,11-trimethyl-1,6,10-dodecatrien-3-ol, cis-Nerolidol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5356544 CH$LINK: INCHIKEY FQTLCLSUCSAZDY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001550; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087602.txt index e606a6dddb1..495f1dad3cd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087602 -RECORD_TITLE: cis-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol, (6Z)-3,7,11-trimethyl-1,6,10-dodecatrien-3-ol, cis-Nerolidol; LC-ESI-QQ; MS2 +RECORD_TITLE: cis-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol, (6Z)-3,7,11-trimethyl-1,6,10-dodecatrien-3-ol, cis-Nerolidol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5356544 CH$LINK: INCHIKEY FQTLCLSUCSAZDY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001550; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087603.txt index 9fc9d404e81..b8ba4dd4645 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087603 -RECORD_TITLE: cis-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol, (6Z)-3,7,11-trimethyl-1,6,10-dodecatrien-3-ol, cis-Nerolidol; LC-ESI-QQ; MS2 +RECORD_TITLE: cis-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol, (6Z)-3,7,11-trimethyl-1,6,10-dodecatrien-3-ol, cis-Nerolidol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5356544 CH$LINK: INCHIKEY FQTLCLSUCSAZDY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001550; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087604.txt index 1bbcfeb7c2a..d8227f76355 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087604 -RECORD_TITLE: cis-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol, (6Z)-3,7,11-trimethyl-1,6,10-dodecatrien-3-ol, cis-Nerolidol; LC-ESI-QQ; MS2 +RECORD_TITLE: cis-3,7,11-Trimethyldodeca-1,6,10-trien-3-ol, (6Z)-3,7,11-trimethyl-1,6,10-dodecatrien-3-ol, cis-Nerolidol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5356544 CH$LINK: INCHIKEY FQTLCLSUCSAZDY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001550; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087701.txt index 70abf1cb9e3..92ce9f497aa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087701 -RECORD_TITLE: dragosantol, Levomenol, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol, Bisabola-1,12-dien-8-ol, alpha-bisabolol; LC-ESI-QQ; MS2 +RECORD_TITLE: dragosantol, Levomenol, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol, Bisabola-1,12-dien-8-ol, alpha-bisabolol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:442343 CH$LINK: INCHIKEY RGZSQWQPBWRIAQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001550; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087702.txt index 6026cec839a..39833856828 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087702 -RECORD_TITLE: dragosantol, Levomenol, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol, Bisabola-1,12-dien-8-ol, alpha-bisabolol; LC-ESI-QQ; MS2 +RECORD_TITLE: dragosantol, Levomenol, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol, Bisabola-1,12-dien-8-ol, alpha-bisabolol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:442343 CH$LINK: INCHIKEY RGZSQWQPBWRIAQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001550; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087703.txt index b525117159b..54c75bd863c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087703 -RECORD_TITLE: dragosantol, Levomenol, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol, Bisabola-1,12-dien-8-ol, alpha-bisabolol; LC-ESI-QQ; MS2 +RECORD_TITLE: dragosantol, Levomenol, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol, Bisabola-1,12-dien-8-ol, alpha-bisabolol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:442343 CH$LINK: INCHIKEY RGZSQWQPBWRIAQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001550; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087704.txt index 9b76ae91a01..da613db284a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS087704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS087704 -RECORD_TITLE: dragosantol, Levomenol, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol, Bisabola-1,12-dien-8-ol, alpha-bisabolol; LC-ESI-QQ; MS2 +RECORD_TITLE: dragosantol, Levomenol, 6-methyl-2-(4-methyl-3-cyclohexen-1-yl)-5-hepten-2-ol, Bisabola-1,12-dien-8-ol, alpha-bisabolol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:442343 CH$LINK: INCHIKEY RGZSQWQPBWRIAQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001550; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088001.txt index 86dc96037a5..961e867cc85 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS088001 -RECORD_TITLE: 4-Isopropyltropolon, 2-Hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one, Hinokitiol, beta-Thujaplicin, beta.-Thujaplicine; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Isopropyltropolon, 2-Hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one, Hinokitiol, beta-Thujaplicin, beta.-Thujaplicine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:3611 CH$LINK: INCHIKEY FUWUEFKEXZQKKA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001674; Organic compounds; Hydrocarbon derivatives; Tropones; Tropolones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088002.txt index f5ba2d6cbae..437ea7155a6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS088002 -RECORD_TITLE: 4-Isopropyltropolon, 2-Hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one, Hinokitiol, beta-Thujaplicin, beta.-Thujaplicine; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Isopropyltropolon, 2-Hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one, Hinokitiol, beta-Thujaplicin, beta.-Thujaplicine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:3611 CH$LINK: INCHIKEY FUWUEFKEXZQKKA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001674; Organic compounds; Hydrocarbon derivatives; Tropones; Tropolones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088003.txt index c3282c399ab..2b1a068c2b1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS088003 -RECORD_TITLE: 4-Isopropyltropolon, 2-Hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one, Hinokitiol, beta-Thujaplicin, beta.-Thujaplicine; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Isopropyltropolon, 2-Hydroxy-4-isopropyl-2,4,6-cycloheptatrien-1-one, Hinokitiol, beta-Thujaplicin, beta.-Thujaplicine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:3611 CH$LINK: INCHIKEY FUWUEFKEXZQKKA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001674; Organic compounds; Hydrocarbon derivatives; Tropones; Tropolones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088101.txt index 59885c5ea1b..e04edbc2e66 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS088101 -RECORD_TITLE: Farnesol (mixture of isomers), Dihydrofarnesol, 3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol, 3,7,11-Trimethyldodeca-2,6,10-trien-1-ol, Polyprenol, Stirrup, Farnesyl alcohol; LC-ESI-QQ; MS2 +RECORD_TITLE: Farnesol (mixture of isomers), Dihydrofarnesol, 3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol, 3,7,11-Trimethyldodeca-2,6,10-trien-1-ol, Polyprenol, Stirrup, Farnesyl alcohol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:445070 CH$LINK: INCHIKEY CRDAMVZIKSXKFV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001550; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088102.txt index d3b8f373bca..c6b25f90e3d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS088102 -RECORD_TITLE: Farnesol (mixture of isomers), Dihydrofarnesol, 3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol, 3,7,11-Trimethyldodeca-2,6,10-trien-1-ol, Polyprenol, Stirrup, Farnesyl alcohol; LC-ESI-QQ; MS2 +RECORD_TITLE: Farnesol (mixture of isomers), Dihydrofarnesol, 3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol, 3,7,11-Trimethyldodeca-2,6,10-trien-1-ol, Polyprenol, Stirrup, Farnesyl alcohol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:445070 CH$LINK: INCHIKEY CRDAMVZIKSXKFV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001550; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088103.txt index de7e18be209..c8bef0b6229 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS088103 -RECORD_TITLE: Farnesol (mixture of isomers), Dihydrofarnesol, 3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol, 3,7,11-Trimethyldodeca-2,6,10-trien-1-ol, Polyprenol, Stirrup, Farnesyl alcohol; LC-ESI-QQ; MS2 +RECORD_TITLE: Farnesol (mixture of isomers), Dihydrofarnesol, 3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol, 3,7,11-Trimethyldodeca-2,6,10-trien-1-ol, Polyprenol, Stirrup, Farnesyl alcohol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:445070 CH$LINK: INCHIKEY CRDAMVZIKSXKFV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001550; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088104.txt index 45ac6778c01..e5e03fbf149 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS088104 -RECORD_TITLE: Farnesol (mixture of isomers), Dihydrofarnesol, 3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol, 3,7,11-Trimethyldodeca-2,6,10-trien-1-ol, Polyprenol, Stirrup, Farnesyl alcohol; LC-ESI-QQ; MS2 +RECORD_TITLE: Farnesol (mixture of isomers), Dihydrofarnesol, 3,7,11-Trimethyl-2,6,10-dodecatrien-1-ol, 3,7,11-Trimethyldodeca-2,6,10-trien-1-ol, Polyprenol, Stirrup, Farnesyl alcohol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:445070 CH$LINK: INCHIKEY CRDAMVZIKSXKFV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001550; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088302.txt index e37db72fe30..c61ee742d8f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS088302 -RECORD_TITLE: (1R,5R)-2,6,6-Trimethylbicyclo(3.1.1)hept-2-ene, (1R,5R)-2-Pinene, (1R)-Pin-2-ene, (1R)-(+)-alpha-Pinene; LC-ESI-QQ; MS2 +RECORD_TITLE: (1R,5R)-2,6,6-Trimethylbicyclo(3.1.1)hept-2-ene, (1R,5R)-2-Pinene, (1R)-Pin-2-ene, (1R)-(+)-alpha-Pinene; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:82227 CH$LINK: INCHIKEY GRWFGVWFFZKLTI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001549; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088402.txt index f3b50f29ba9..b286347035e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS088402 -RECORD_TITLE: 3,3-Dimethyl-2-methylenenorcamphane, 2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane, Comphene, 2,2-Dimethyl-3-methylenenorbornane, Camphene ; LC-ESI-QQ; MS2 +RECORD_TITLE: 3,3-Dimethyl-2-methylenenorcamphane, 2,2-Dimethyl-3-methylenebicyclo(2.2.1)heptane, Comphene, 2,2-Dimethyl-3-methylenenorbornane, Camphene ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6616 CH$LINK: INCHIKEY CRPUJAZIXJMDBK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001549; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088601.txt index 18aecfd7450..ccc047410dc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS088601 -RECORD_TITLE: gamma-Terpinene, Moslene, Crithmene, 1-Methyl-4-isopropyl-1,4-cyclohexadiene, p-Mentha-1,4-diene; LC-ESI-QQ; MS2 +RECORD_TITLE: gamma-Terpinene, Moslene, Crithmene, 1-Methyl-4-isopropyl-1,4-cyclohexadiene, p-Mentha-1,4-diene; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:7461 CH$LINK: INCHIKEY YKFLAYDHMOASIY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004622; Organic compounds; Hydrocarbons; Unsaturated hydrocarbons; Branched unsaturated hydrocarbons AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088801.txt index e40b91c5b82..c8c17667368 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS088801 -RECORD_TITLE: gamma-Nonalactone, 4-Hydroxynonanoic acid lactone, Apricolin, gamma-Nonanoic lactone, Coconut aldehyde , gamma-Nonyl lactone, Dihydro-5-pentyl-2(3H)-furanone, Aldehyde C-18, gamma-Nonyllactone, 5-pentyloxolan-2-one, Prunolide, Nonan-4-olide, Abricolin, gamma-Pentyl-gamma-butyrolactone, gamma-Pelargolactone, gamma-n-Amylbutyrolactone, 4-Nonanolide; LC-ESI-QQ; MS2 +RECORD_TITLE: gamma-Nonalactone, 4-Hydroxynonanoic acid lactone, Apricolin, gamma-Nonanoic lactone, Coconut aldehyde , gamma-Nonyl lactone, Dihydro-5-pentyl-2(3H)-furanone, Aldehyde C-18, gamma-Nonyllactone, 5-pentyloxolan-2-one, Prunolide, Nonan-4-olide, Abricolin, gamma-Pentyl-gamma-butyrolactone, gamma-Pelargolactone, gamma-n-Amylbutyrolactone, 4-Nonanolide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -40,7 +40,7 @@ CH$LINK: PUBCHEM CID:441574 CH$LINK: INCHIKEY OALYTRUKMRCXNH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001245; Organic compounds; Organoheterocyclic compounds; Lactones; Gamma butyrolactones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088901.txt index e5f240e1011..90fd1dce7d1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS088901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS088901 -RECORD_TITLE: (5E)-Geranyl Acetone, (E)-2,6-Dimethyl-2,6-undecadien-10-one, Dihydropseudoionone, 6,10-dimethylundeca-5,9-dien-2-one, Geranyl-2-propanone, Geranyl acetone; LC-ESI-QQ; MS2 +RECORD_TITLE: (5E)-Geranyl Acetone, (E)-2,6-Dimethyl-2,6-undecadien-10-one, Dihydropseudoionone, 6,10-dimethylundeca-5,9-dien-2-one, Geranyl-2-propanone, Geranyl acetone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:1549778 CH$LINK: INCHIKEY HNZUNIKWNYHEJJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001549; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089001.txt index 90fee39590a..276f067a00f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS089001 -RECORD_TITLE: Kharismal, Headeone, Cepionate, Claigeon , Hedione, Dihydrojasmonic Acid Methyl Ester, Methyl 3-Oxo-2-pentyl-1-cyclopentaneacetate, Methyl Dihydrojasmonate, Methyl 2-pentyl-3-oxocyclopent-1-yl acetate, Jessamona; LC-ESI-QQ; MS2 +RECORD_TITLE: Kharismal, Headeone, Cepionate, Claigeon , Hedione, Dihydrojasmonic Acid Methyl Ester, Methyl 3-Oxo-2-pentyl-1-cyclopentaneacetate, Methyl Dihydrojasmonate, Methyl 2-pentyl-3-oxocyclopent-1-yl acetate, Jessamona; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:102861 CH$LINK: INCHIKEY KVWWIYGFBYDJQC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000504; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Lineolic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089101.txt index 7cc9ae155d2..af5774177a1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS089101 -RECORD_TITLE: (cis,trans)-Farnesyl acetate , 3,7,11-Trimethyl-2,6,10-dodecatrienyl acetate, 3,7,11-Trimethyldodeca-2,6,10-trienyl acetate; LC-ESI-QQ; MS2 +RECORD_TITLE: (cis,trans)-Farnesyl acetate , 3,7,11-Trimethyl-2,6,10-dodecatrienyl acetate, 3,7,11-Trimethyldodeca-2,6,10-trienyl acetate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:638500 CH$LINK: INCHIKEY ZGIGZINMAOQWLX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001550; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089103.txt index 149d52401fb..c0c6512c29a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS089103 -RECORD_TITLE: (cis,trans)-Farnesyl acetate , 3,7,11-Trimethyl-2,6,10-dodecatrienyl acetate, 3,7,11-Trimethyldodeca-2,6,10-trienyl acetate; LC-ESI-QQ; MS2 +RECORD_TITLE: (cis,trans)-Farnesyl acetate , 3,7,11-Trimethyl-2,6,10-dodecatrienyl acetate, 3,7,11-Trimethyldodeca-2,6,10-trienyl acetate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:638500 CH$LINK: INCHIKEY ZGIGZINMAOQWLX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001550; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Sesquiterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089401.txt index e71e32282d4..037997153f0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS089401 -RECORD_TITLE: Sarsasapogenin, (25S)-5beta-Spirostan-3beta-ol, (3beta,5beta,25S)-Spirostan-3-ol, Parigenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Sarsasapogenin, (25S)-5beta-Spirostan-3beta-ol, (3beta,5beta,25S)-Spirostan-3-ol, Parigenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:92095 CH$LINK: INCHIKEY GMBQZIIUCVWOCD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001553; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089402.txt index 778d2d2e374..4f9ab874c44 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS089402 -RECORD_TITLE: Sarsasapogenin, (25S)-5beta-Spirostan-3beta-ol, (3beta,5beta,25S)-Spirostan-3-ol, Parigenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Sarsasapogenin, (25S)-5beta-Spirostan-3beta-ol, (3beta,5beta,25S)-Spirostan-3-ol, Parigenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:92095 CH$LINK: INCHIKEY GMBQZIIUCVWOCD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001553; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089403.txt index ccfd1654f57..bb346f8e2f4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS089403 -RECORD_TITLE: Sarsasapogenin, (25S)-5beta-Spirostan-3beta-ol, (3beta,5beta,25S)-Spirostan-3-ol, Parigenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Sarsasapogenin, (25S)-5beta-Spirostan-3beta-ol, (3beta,5beta,25S)-Spirostan-3-ol, Parigenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:92095 CH$LINK: INCHIKEY GMBQZIIUCVWOCD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001553; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089404.txt index 6c3efca2792..31cb42c6e8a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS089404 -RECORD_TITLE: Sarsasapogenin, (25S)-5beta-Spirostan-3beta-ol, (3beta,5beta,25S)-Spirostan-3-ol, Parigenin; LC-ESI-QQ; MS2 +RECORD_TITLE: Sarsasapogenin, (25S)-5beta-Spirostan-3beta-ol, (3beta,5beta,25S)-Spirostan-3-ol, Parigenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:92095 CH$LINK: INCHIKEY GMBQZIIUCVWOCD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001553; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089501.txt index e29af5c6945..9c9a613c0fa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS089501 -RECORD_TITLE: (25R)-5beta-Spirostan-3beta-ol, Isosarsasapogenin, 16,22:22,26-Bis(epoxy)cholestan-3beta-ol, 5beta,20alpha,22alpha,25D-Spiranostan-3beta-ol, Smilagenin; LC-ESI-QQ; MS2 +RECORD_TITLE: (25R)-5beta-Spirostan-3beta-ol, Isosarsasapogenin, 16,22:22,26-Bis(epoxy)cholestan-3beta-ol, 5beta,20alpha,22alpha,25D-Spiranostan-3beta-ol, Smilagenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:91439 CH$LINK: INCHIKEY GMBQZIIUCVWOCD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001553; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089502.txt index c43b59070dc..6eb49ecca27 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS089502 -RECORD_TITLE: (25R)-5beta-Spirostan-3beta-ol, Isosarsasapogenin, 16,22:22,26-Bis(epoxy)cholestan-3beta-ol, 5beta,20alpha,22alpha,25D-Spiranostan-3beta-ol, Smilagenin; LC-ESI-QQ; MS2 +RECORD_TITLE: (25R)-5beta-Spirostan-3beta-ol, Isosarsasapogenin, 16,22:22,26-Bis(epoxy)cholestan-3beta-ol, 5beta,20alpha,22alpha,25D-Spiranostan-3beta-ol, Smilagenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:91439 CH$LINK: INCHIKEY GMBQZIIUCVWOCD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001553; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089503.txt index 31be72ba5fc..64c1393983f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS089503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS089503 -RECORD_TITLE: (25R)-5beta-Spirostan-3beta-ol, Isosarsasapogenin, 16,22:22,26-Bis(epoxy)cholestan-3beta-ol, 5beta,20alpha,22alpha,25D-Spiranostan-3beta-ol, Smilagenin; LC-ESI-QQ; MS2 +RECORD_TITLE: (25R)-5beta-Spirostan-3beta-ol, Isosarsasapogenin, 16,22:22,26-Bis(epoxy)cholestan-3beta-ol, 5beta,20alpha,22alpha,25D-Spiranostan-3beta-ol, Smilagenin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:91439 CH$LINK: INCHIKEY GMBQZIIUCVWOCD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001553; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Triterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090001.txt index 99bfa2760a3..eff5b1d4c99 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS090001 -RECORD_TITLE: Ser(Ac), 2-Acetylamino-3-hydroxy-propionic acid, N-acetyl-DL-serine; LC-ESI-QQ; MS2 +RECORD_TITLE: Ser(Ac), 2-Acetylamino-3-hydroxy-propionic acid, N-acetyl-DL-serine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:352294 CH$LINK: INCHIKEY JJIHLJJYMXLCOY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090002.txt index 55933b589f6..3a0a03884fa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS090002 -RECORD_TITLE: Ser(Ac), 2-Acetylamino-3-hydroxy-propionic acid, N-acetyl-DL-serine; LC-ESI-QQ; MS2 +RECORD_TITLE: Ser(Ac), 2-Acetylamino-3-hydroxy-propionic acid, N-acetyl-DL-serine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:352294 CH$LINK: INCHIKEY JJIHLJJYMXLCOY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090007.txt index 7cca90dbd34..430c320e29c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS090007 -RECORD_TITLE: Ser(Ac), 2-Acetylamino-3-hydroxy-propionic acid, N-acetyl-DL-serine; LC-ESI-QQ; MS2 +RECORD_TITLE: Ser(Ac), 2-Acetylamino-3-hydroxy-propionic acid, N-acetyl-DL-serine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:352294 CH$LINK: INCHIKEY JJIHLJJYMXLCOY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090401.txt index 6424ab621c9..642d3a0ea7c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS090401 -RECORD_TITLE: Ala(beta-CN), 3-Cyano-L-alanine, L-beta-Cyanoalanine, L-3-Cyanoalanine, Ala(3-CN), beta-cyano-L-alanine; LC-ESI-QQ; MS2 +RECORD_TITLE: Ala(beta-CN), 3-Cyano-L-alanine, L-beta-Cyanoalanine, L-3-Cyanoalanine, Ala(3-CN), beta-cyano-L-alanine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439742 CH$LINK: INCHIKEY BXRLWGXPSRYJDZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090501.txt index 7eeee0d3b54..fdf0a909e85 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS090501 -RECORD_TITLE: gamma-Glu-Cys, gamma-L-Glutamyl-L-cysteine, gamma-glutamylcysteine, 5-L-Glutamyl-L-cysteine; LC-ESI-QQ; MS2 +RECORD_TITLE: gamma-Glu-Cys, gamma-L-Glutamyl-L-cysteine, gamma-glutamylcysteine, 5-L-Glutamyl-L-cysteine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:123938 CH$LINK: INCHIKEY RITKHVBHSGLULN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090601.txt index 7f9b21ac7b2..2aed20660cb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS090601 -RECORD_TITLE: S-Glycyl-L-cysteine, Cys-Gly, cysteinylglycine, (R)-2-Amino-3-(aminoacetyl)thiopropanoic Acid, S-(2-Amino-1-oxoethyl)cysteine, Glycine Cysteine Thioester, L-Cysteinylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: S-Glycyl-L-cysteine, Cys-Gly, cysteinylglycine, (R)-2-Amino-3-(aminoacetyl)thiopropanoic Acid, S-(2-Amino-1-oxoethyl)cysteine, Glycine Cysteine Thioester, L-Cysteinylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:439498 CH$LINK: INCHIKEY ZUKPVRWZDMRIEO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090602.txt index 885e6bdf8cd..f2262117c18 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS090602 -RECORD_TITLE: S-Glycyl-L-cysteine, Cys-Gly, cysteinylglycine, (R)-2-Amino-3-(aminoacetyl)thiopropanoic Acid, S-(2-Amino-1-oxoethyl)cysteine, Glycine Cysteine Thioester, L-Cysteinylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: S-Glycyl-L-cysteine, Cys-Gly, cysteinylglycine, (R)-2-Amino-3-(aminoacetyl)thiopropanoic Acid, S-(2-Amino-1-oxoethyl)cysteine, Glycine Cysteine Thioester, L-Cysteinylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:439498 CH$LINK: INCHIKEY ZUKPVRWZDMRIEO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090603.txt index bde7358d166..73b01f55668 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS090603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS090603 -RECORD_TITLE: S-Glycyl-L-cysteine, Cys-Gly, cysteinylglycine, (R)-2-Amino-3-(aminoacetyl)thiopropanoic Acid, S-(2-Amino-1-oxoethyl)cysteine, Glycine Cysteine Thioester, L-Cysteinylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: S-Glycyl-L-cysteine, Cys-Gly, cysteinylglycine, (R)-2-Amino-3-(aminoacetyl)thiopropanoic Acid, S-(2-Amino-1-oxoethyl)cysteine, Glycine Cysteine Thioester, L-Cysteinylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:439498 CH$LINK: INCHIKEY ZUKPVRWZDMRIEO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091001.txt index 7a46e8af6e9..897af6a43b8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS091001 -RECORD_TITLE: Dexfosfoserine, Ser(P), Serine phosphate, o-Phospho-L-serine, L-2-Amino-3-hydroxypropanoic acid 3-phosphate, Plasmenylserine, L-SOP, L-Serine O-phosphate, 3-phosphoserine; LC-ESI-QQ; MS2 +RECORD_TITLE: Dexfosfoserine, Ser(P), Serine phosphate, o-Phospho-L-serine, L-2-Amino-3-hydroxypropanoic acid 3-phosphate, Plasmenylserine, L-SOP, L-Serine O-phosphate, 3-phosphoserine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:68841 CH$LINK: INCHIKEY BZQFBWGGLXLEPQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091002.txt index 51b00d3a7cc..374646f9b25 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS091002 -RECORD_TITLE: Dexfosfoserine, Ser(P), Serine phosphate, o-Phospho-L-serine, L-2-Amino-3-hydroxypropanoic acid 3-phosphate, Plasmenylserine, L-SOP, L-Serine O-phosphate, 3-phosphoserine; LC-ESI-QQ; MS2 +RECORD_TITLE: Dexfosfoserine, Ser(P), Serine phosphate, o-Phospho-L-serine, L-2-Amino-3-hydroxypropanoic acid 3-phosphate, Plasmenylserine, L-SOP, L-Serine O-phosphate, 3-phosphoserine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:68841 CH$LINK: INCHIKEY BZQFBWGGLXLEPQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091201.txt index c5689334486..b577918448b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS091201 -RECORD_TITLE: Narcissoside, Isor-3-Glc-6''-Rha, Isorhamnetin-3-Glucoside-6''-Rhamnoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , isorhamnetin-3-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Narcissoside, Isor-3-Glc-6''-Rha, Isorhamnetin-3-Glucoside-6''-Rhamnoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , isorhamnetin-3-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5481663 CH$LINK: INCHIKEY UIDGLYUNOUKLBM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091202.txt index 6b1ecfecc74..9cf02301c2d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS091202 -RECORD_TITLE: Narcissoside, Isor-3-Glc-6''-Rha, Isorhamnetin-3-Glucoside-6''-Rhamnoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , isorhamnetin-3-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Narcissoside, Isor-3-Glc-6''-Rha, Isorhamnetin-3-Glucoside-6''-Rhamnoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , isorhamnetin-3-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5481663 CH$LINK: INCHIKEY UIDGLYUNOUKLBM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091203.txt index 69c690dc0af..06bf2a3b143 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS091203 -RECORD_TITLE: Narcissoside, Isor-3-Glc-6''-Rha, Isorhamnetin-3-Glucoside-6''-Rhamnoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , isorhamnetin-3-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Narcissoside, Isor-3-Glc-6''-Rha, Isorhamnetin-3-Glucoside-6''-Rhamnoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , isorhamnetin-3-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5481663 CH$LINK: INCHIKEY UIDGLYUNOUKLBM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091204.txt index 0d87a08be6d..fc8555e057b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS091204 -RECORD_TITLE: Narcissoside, Isor-3-Glc-6''-Rha, Isorhamnetin-3-Glucoside-6''-Rhamnoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , isorhamnetin-3-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Narcissoside, Isor-3-Glc-6''-Rha, Isorhamnetin-3-Glucoside-6''-Rhamnoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , isorhamnetin-3-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5481663 CH$LINK: INCHIKEY UIDGLYUNOUKLBM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091205.txt index cd51099e115..5f694c99004 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS091205 -RECORD_TITLE: Narcissoside, Isor-3-Glc-6''-Rha, Isorhamnetin-3-Glucoside-6''-Rhamnoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , isorhamnetin-3-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Narcissoside, Isor-3-Glc-6''-Rha, Isorhamnetin-3-Glucoside-6''-Rhamnoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , isorhamnetin-3-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5481663 CH$LINK: INCHIKEY UIDGLYUNOUKLBM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091206.txt index 5b1f47457a4..5dbce4a47ce 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS091206 -RECORD_TITLE: Narcissoside, Isor-3-Glc-6''-Rha, Isorhamnetin-3-Glucoside-6''-Rhamnoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , isorhamnetin-3-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Narcissoside, Isor-3-Glc-6''-Rha, Isorhamnetin-3-Glucoside-6''-Rhamnoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , isorhamnetin-3-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5481663 CH$LINK: INCHIKEY UIDGLYUNOUKLBM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091207.txt index 385b6bddb94..344c9206df3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS091207 -RECORD_TITLE: Narcissoside, Isor-3-Glc-6''-Rha, Isorhamnetin-3-Glucoside-6''-Rhamnoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , isorhamnetin-3-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Narcissoside, Isor-3-Glc-6''-Rha, Isorhamnetin-3-Glucoside-6''-Rhamnoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , isorhamnetin-3-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5481663 CH$LINK: INCHIKEY UIDGLYUNOUKLBM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091208.txt index 76367c1ae7e..27ee6d78767 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS091208 -RECORD_TITLE: Narcissoside, Isor-3-Glc-6''-Rha, Isorhamnetin-3-Glucoside-6''-Rhamnoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , isorhamnetin-3-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Narcissoside, Isor-3-Glc-6''-Rha, Isorhamnetin-3-Glucoside-6''-Rhamnoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , isorhamnetin-3-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5481663 CH$LINK: INCHIKEY UIDGLYUNOUKLBM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091209.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091209.txt index bbb7c4cb805..09320a9c5f4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091209.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS091209 -RECORD_TITLE: Narcissoside, Isor-3-Glc-6''-Rha, Isorhamnetin-3-Glucoside-6''-Rhamnoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , isorhamnetin-3-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Narcissoside, Isor-3-Glc-6''-Rha, Isorhamnetin-3-Glucoside-6''-Rhamnoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , isorhamnetin-3-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5481663 CH$LINK: INCHIKEY UIDGLYUNOUKLBM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091210.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091210.txt index 9f95d2dca58..9fe2cc5e8d3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091210.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091210.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS091210 -RECORD_TITLE: Narcissoside, Isor-3-Glc-6''-Rha, Isorhamnetin-3-Glucoside-6''-Rhamnoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , isorhamnetin-3-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Narcissoside, Isor-3-Glc-6''-Rha, Isorhamnetin-3-Glucoside-6''-Rhamnoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , isorhamnetin-3-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5481663 CH$LINK: INCHIKEY UIDGLYUNOUKLBM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091211.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091211.txt index 3b2159beb88..bc1663aea82 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091211.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091211.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS091211 -RECORD_TITLE: Narcissoside, Isor-3-Glc-6''-Rha, Isorhamnetin-3-Glucoside-6''-Rhamnoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , isorhamnetin-3-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Narcissoside, Isor-3-Glc-6''-Rha, Isorhamnetin-3-Glucoside-6''-Rhamnoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , isorhamnetin-3-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5481663 CH$LINK: INCHIKEY UIDGLYUNOUKLBM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091212.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091212.txt index 697228e4ec8..fdbed9711a4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091212.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS091212.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS091212 -RECORD_TITLE: Narcissoside, Isor-3-Glc-6''-Rha, Isorhamnetin-3-Glucoside-6''-Rhamnoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , isorhamnetin-3-rutinoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Narcissoside, Isor-3-Glc-6''-Rha, Isorhamnetin-3-Glucoside-6''-Rhamnoside, Narcissin, Isorhamnetin-3-rhamnoglucoside , isorhamnetin-3-rutinoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5481663 CH$LINK: INCHIKEY UIDGLYUNOUKLBM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092201.txt index 41bb37ec459..641dd12041e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092201 -RECORD_TITLE: Kaempferol-3-O-alpha-L-arabinoside, Kaempferol-3-O-alpha-L-arabinopyranoside, Kaem-3-Ara; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-O-alpha-L-arabinoside, Kaempferol-3-O-alpha-L-arabinopyranoside, Kaem-3-Ara; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5481882 CH$LINK: INCHIKEY RNVUDWOQYYWXBJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092202.txt index 9d11cf3c4c7..6ad41931c42 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092202 -RECORD_TITLE: Kaempferol-3-O-alpha-L-arabinoside, Kaempferol-3-O-alpha-L-arabinopyranoside, Kaem-3-Ara; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-O-alpha-L-arabinoside, Kaempferol-3-O-alpha-L-arabinopyranoside, Kaem-3-Ara; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5481882 CH$LINK: INCHIKEY RNVUDWOQYYWXBJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092203.txt index 7b68497af72..16f85f3a2f2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092203 -RECORD_TITLE: Kaempferol-3-O-alpha-L-arabinoside, Kaempferol-3-O-alpha-L-arabinopyranoside, Kaem-3-Ara; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-O-alpha-L-arabinoside, Kaempferol-3-O-alpha-L-arabinopyranoside, Kaem-3-Ara; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5481882 CH$LINK: INCHIKEY RNVUDWOQYYWXBJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092204.txt index 678f7a87ab1..64c24399dcb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092204 -RECORD_TITLE: Kaempferol-3-O-alpha-L-arabinoside, Kaempferol-3-O-alpha-L-arabinopyranoside, Kaem-3-Ara; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-O-alpha-L-arabinoside, Kaempferol-3-O-alpha-L-arabinopyranoside, Kaem-3-Ara; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5481882 CH$LINK: INCHIKEY RNVUDWOQYYWXBJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092205.txt index 84f716a2fbe..2505f3396da 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092205 -RECORD_TITLE: Kaempferol-3-O-alpha-L-arabinoside, Kaempferol-3-O-alpha-L-arabinopyranoside, Kaem-3-Ara; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-O-alpha-L-arabinoside, Kaempferol-3-O-alpha-L-arabinopyranoside, Kaem-3-Ara; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5481882 CH$LINK: INCHIKEY RNVUDWOQYYWXBJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092206.txt index 5a7236fa3a8..bd0fe031a38 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092206 -RECORD_TITLE: Kaempferol-3-O-alpha-L-arabinoside, Kaempferol-3-O-alpha-L-arabinopyranoside, Kaem-3-Ara; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-O-alpha-L-arabinoside, Kaempferol-3-O-alpha-L-arabinopyranoside, Kaem-3-Ara; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5481882 CH$LINK: INCHIKEY RNVUDWOQYYWXBJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092207.txt index 4281b7c4cdb..4542f8d9ef8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092207 -RECORD_TITLE: Kaempferol-3-O-alpha-L-arabinoside, Kaempferol-3-O-alpha-L-arabinopyranoside, Kaem-3-Ara; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-O-alpha-L-arabinoside, Kaempferol-3-O-alpha-L-arabinopyranoside, Kaem-3-Ara; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5481882 CH$LINK: INCHIKEY RNVUDWOQYYWXBJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092208.txt index 92fc26722e8..72c481166eb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092208 -RECORD_TITLE: Kaempferol-3-O-alpha-L-arabinoside, Kaempferol-3-O-alpha-L-arabinopyranoside, Kaem-3-Ara; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-O-alpha-L-arabinoside, Kaempferol-3-O-alpha-L-arabinopyranoside, Kaem-3-Ara; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5481882 CH$LINK: INCHIKEY RNVUDWOQYYWXBJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092209.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092209.txt index cd1ab13d871..f4202fd9ada 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092209.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092209 -RECORD_TITLE: Kaempferol-3-O-alpha-L-arabinoside, Kaempferol-3-O-alpha-L-arabinopyranoside, Kaem-3-Ara; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-O-alpha-L-arabinoside, Kaempferol-3-O-alpha-L-arabinopyranoside, Kaem-3-Ara; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5481882 CH$LINK: INCHIKEY RNVUDWOQYYWXBJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092210.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092210.txt index 1b7dc7b3f30..3864e4c9c72 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092210.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092210.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092210 -RECORD_TITLE: Kaempferol-3-O-alpha-L-arabinoside, Kaempferol-3-O-alpha-L-arabinopyranoside, Kaem-3-Ara; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-O-alpha-L-arabinoside, Kaempferol-3-O-alpha-L-arabinopyranoside, Kaem-3-Ara; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5481882 CH$LINK: INCHIKEY RNVUDWOQYYWXBJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092401.txt index bdad23b66e7..e190ffb1714 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092401 -RECORD_TITLE: Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5318759 CH$LINK: INCHIKEY FNTJVYCFNVUBOL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092402.txt index 76951f56f69..6f1ff81dd0e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092402 -RECORD_TITLE: Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5318759 CH$LINK: INCHIKEY FNTJVYCFNVUBOL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092403.txt index 42ffa78b0e1..95b28b06d10 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092403 -RECORD_TITLE: Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5318759 CH$LINK: INCHIKEY FNTJVYCFNVUBOL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092404.txt index 66432280489..cabacf7b444 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092404 -RECORD_TITLE: Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5318759 CH$LINK: INCHIKEY FNTJVYCFNVUBOL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092405.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092405.txt index 187134e12f4..e9bf3afaa1d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092405.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092405 -RECORD_TITLE: Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5318759 CH$LINK: INCHIKEY FNTJVYCFNVUBOL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092406.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092406.txt index 6589e197eca..1a50d83bf8d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092406.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092406.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092406 -RECORD_TITLE: Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5318759 CH$LINK: INCHIKEY FNTJVYCFNVUBOL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092407.txt index 79883f963dc..d16d696ee8c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092407 -RECORD_TITLE: Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5318759 CH$LINK: INCHIKEY FNTJVYCFNVUBOL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092408.txt index 867715bb424..cf93a60b63f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092408 -RECORD_TITLE: Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5318759 CH$LINK: INCHIKEY FNTJVYCFNVUBOL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092409.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092409.txt index df2fc4b035e..048acd9aefa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092409.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092409 -RECORD_TITLE: Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5318759 CH$LINK: INCHIKEY FNTJVYCFNVUBOL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092410.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092410.txt index 73083504f31..7a06c1a5892 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092410.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092410.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092410 -RECORD_TITLE: Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5318759 CH$LINK: INCHIKEY FNTJVYCFNVUBOL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092411.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092411.txt index af419f12576..36588e2f813 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092411.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092411.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092411 -RECORD_TITLE: Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5318759 CH$LINK: INCHIKEY FNTJVYCFNVUBOL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092412.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092412.txt index faef1aaf51c..a6e733ef95e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092412.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092412.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092412 -RECORD_TITLE: Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-glucuronoside, Kaem-3-GlcA, Kaempferol-3-Glucuronide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5318759 CH$LINK: INCHIKEY FNTJVYCFNVUBOL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092501.txt index cb8376af801..5ac69c0a560 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092501 -RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6''-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQ; MS2 +RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6''-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5320686 CH$LINK: INCHIKEY DVGGLGXQSFURLP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092502.txt index 05db9686ad5..8d678e5e528 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092502 -RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6''-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQ; MS2 +RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6''-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5320686 CH$LINK: INCHIKEY DVGGLGXQSFURLP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092503.txt index 4c5804461c1..06de763b1f2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092503 -RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6''-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQ; MS2 +RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6''-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5320686 CH$LINK: INCHIKEY DVGGLGXQSFURLP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092504.txt index f04af53a725..061c9fcb3e1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092504 -RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6''-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQ; MS2 +RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6''-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5320686 CH$LINK: INCHIKEY DVGGLGXQSFURLP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092505.txt index 78ccc714782..15b66521184 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092505 -RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6''-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQ; MS2 +RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6''-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5320686 CH$LINK: INCHIKEY DVGGLGXQSFURLP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092506.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092506.txt index fd37ed4deab..d68c660ea2c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092506.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092506.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092506 -RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6''-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQ; MS2 +RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6''-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5320686 CH$LINK: INCHIKEY DVGGLGXQSFURLP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092507.txt index 93804ac8f87..4a8fe13aab8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092507 -RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6''-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQ; MS2 +RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6''-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5320686 CH$LINK: INCHIKEY DVGGLGXQSFURLP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092508.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092508.txt index 23abc08f920..6358fd6943b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092508.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092508 -RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6''-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQ; MS2 +RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6''-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5320686 CH$LINK: INCHIKEY DVGGLGXQSFURLP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092509.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092509.txt index edbfd05582f..4798974a1fb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092509.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092509.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092509 -RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6''-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQ; MS2 +RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6''-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5320686 CH$LINK: INCHIKEY DVGGLGXQSFURLP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092510.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092510.txt index 07b1eefea2b..d6ca968af8a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092510.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092510.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092510 -RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6''-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQ; MS2 +RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6''-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5320686 CH$LINK: INCHIKEY DVGGLGXQSFURLP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092511.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092511.txt index ec6eb95362a..d5603b72a60 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092511.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092511.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092511 -RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6''-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQ; MS2 +RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6''-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5320686 CH$LINK: INCHIKEY DVGGLGXQSFURLP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092512.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092512.txt index 38c083ffeae..d76ef85092e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092512.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092512.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092512 -RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6''-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQ; MS2 +RECORD_TITLE: Tribuloside, Tiliroside, Kaempferol-3-Glucoside-6''-p-coumaroyl, kaempferol-3-O-(6-p-coumaroyl)-glucoside, Potengriffioside A, Kaem-3-Glc-6pp-p-Cou; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:5320686 CH$LINK: INCHIKEY DVGGLGXQSFURLP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092601.txt index 04c56209ce5..50e15c9359a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092601 -RECORD_TITLE: Kaempferol-3-Rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-Rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5316673 CH$LINK: INCHIKEY SOSLMHZOJATCCP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092602.txt index 622b86c3928..f1f17771c0a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092602 -RECORD_TITLE: Kaempferol-3-Rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-Rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5316673 CH$LINK: INCHIKEY SOSLMHZOJATCCP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092603.txt index fe59e5ed114..e7bfa8fefee 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092603 -RECORD_TITLE: Kaempferol-3-Rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-Rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5316673 CH$LINK: INCHIKEY SOSLMHZOJATCCP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092604.txt index 849645a6962..9709b3a8851 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092604 -RECORD_TITLE: Kaempferol-3-Rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-Rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5316673 CH$LINK: INCHIKEY SOSLMHZOJATCCP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092605.txt index f129ed50b7e..448d7d7feea 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092605 -RECORD_TITLE: Kaempferol-3-Rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-Rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5316673 CH$LINK: INCHIKEY SOSLMHZOJATCCP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092607.txt index a438edfc495..6b9365132ae 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092607 -RECORD_TITLE: Kaempferol-3-Rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-Rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5316673 CH$LINK: INCHIKEY SOSLMHZOJATCCP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092608.txt index 60b905fad24..23e54658c2b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092608 -RECORD_TITLE: Kaempferol-3-Rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-Rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5316673 CH$LINK: INCHIKEY SOSLMHZOJATCCP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092609.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092609.txt index 7e1d1acb617..b9f2c32eb51 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092609.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092609.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092609 -RECORD_TITLE: Kaempferol-3-Rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-Rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5316673 CH$LINK: INCHIKEY SOSLMHZOJATCCP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092610.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092610.txt index aff5d5238a2..d3792158f2f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092610.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092610.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092610 -RECORD_TITLE: Kaempferol-3-Rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-Rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5316673 CH$LINK: INCHIKEY SOSLMHZOJATCCP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092611.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092611.txt index 836360cf3eb..70c0c6b0019 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092611.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092611.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092611 -RECORD_TITLE: Kaempferol-3-Rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3-Rhamnoside, Afzelin, Kaem-3-Rha; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5316673 CH$LINK: INCHIKEY SOSLMHZOJATCCP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092701.txt index b5b76d7a380..4cf5dce9704 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092701 -RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, Astragaline, Kaempferol-3-Glucoside, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, Astragaline, Kaempferol-3-Glucoside, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5282102 CH$LINK: INCHIKEY JPUKWEQWGBDDQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092702.txt index 3515380afae..a8a6d51e592 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092702 -RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, Astragaline, Kaempferol-3-Glucoside, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, Astragaline, Kaempferol-3-Glucoside, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5282102 CH$LINK: INCHIKEY JPUKWEQWGBDDQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092703.txt index 544ce75c20e..2bd232be42a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092703 -RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, Astragaline, Kaempferol-3-Glucoside, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, Astragaline, Kaempferol-3-Glucoside, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5282102 CH$LINK: INCHIKEY JPUKWEQWGBDDQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092704.txt index 13701179a75..14cb7b9b065 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092704 -RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, Astragaline, Kaempferol-3-Glucoside, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, Astragaline, Kaempferol-3-Glucoside, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5282102 CH$LINK: INCHIKEY JPUKWEQWGBDDQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092705.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092705.txt index 89df32deb7d..ff572957de2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092705.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092705 -RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, Astragaline, Kaempferol-3-Glucoside, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, Astragaline, Kaempferol-3-Glucoside, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5282102 CH$LINK: INCHIKEY JPUKWEQWGBDDQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092706.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092706.txt index dcadd8ba4ad..e00e13cb1a7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092706.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092706.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092706 -RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, Astragaline, Kaempferol-3-Glucoside, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, Astragaline, Kaempferol-3-Glucoside, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5282102 CH$LINK: INCHIKEY JPUKWEQWGBDDQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092707.txt index 4464c9f19c3..c3943f2d608 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092707 -RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, Astragaline, Kaempferol-3-Glucoside, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, Astragaline, Kaempferol-3-Glucoside, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5282102 CH$LINK: INCHIKEY JPUKWEQWGBDDQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092708.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092708.txt index 50ce6be1310..2b0ab71ae64 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092708.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092708 -RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, Astragaline, Kaempferol-3-Glucoside, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, Astragaline, Kaempferol-3-Glucoside, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5282102 CH$LINK: INCHIKEY JPUKWEQWGBDDQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092709.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092709.txt index d6299ea76f6..5ceb1a81c84 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092709.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092709.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092709 -RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, Astragaline, Kaempferol-3-Glucoside, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, Astragaline, Kaempferol-3-Glucoside, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5282102 CH$LINK: INCHIKEY JPUKWEQWGBDDQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092710.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092710.txt index 169cab44e8d..dcd991f6101 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092710.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092710.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092710 -RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, Astragaline, Kaempferol-3-Glucoside, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, Astragaline, Kaempferol-3-Glucoside, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5282102 CH$LINK: INCHIKEY JPUKWEQWGBDDQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092711.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092711.txt index 7fbdbde9e59..17c305b8ae3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092711.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092711.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092711 -RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, Astragaline, Kaempferol-3-Glucoside, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, Astragaline, Kaempferol-3-Glucoside, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5282102 CH$LINK: INCHIKEY JPUKWEQWGBDDQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092712.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092712.txt index 9c52800f77c..ab56bb09312 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092712.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092712.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092712 -RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, Astragaline, Kaempferol-3-Glucoside, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Glc, Astragalin, Kaempferol-3-beta-D-glucopyranoside, Astragaline, Kaempferol-3-Glucoside, 4H-1-Benzopyran-4-one, 3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-); LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5282102 CH$LINK: INCHIKEY JPUKWEQWGBDDQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092901.txt index 6abd84b7d70..273c719e484 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092901 -RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetin-3-Rhamnoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetin-3-Rhamnoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5281673 CH$LINK: INCHIKEY DCYOADKBABEMIQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092902.txt index 0409290bed8..51a7029ab0b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092902 -RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetin-3-Rhamnoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetin-3-Rhamnoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5281673 CH$LINK: INCHIKEY DCYOADKBABEMIQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092903.txt index 730640b375e..473fdb53d66 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092903 -RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetin-3-Rhamnoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetin-3-Rhamnoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5281673 CH$LINK: INCHIKEY DCYOADKBABEMIQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092904.txt index c903d29a3bb..b438974598c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092904 -RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetin-3-Rhamnoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetin-3-Rhamnoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5281673 CH$LINK: INCHIKEY DCYOADKBABEMIQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092907.txt index 28c93b7f472..87ca149f109 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092907 -RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetin-3-Rhamnoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetin-3-Rhamnoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5281673 CH$LINK: INCHIKEY DCYOADKBABEMIQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092908.txt index cb8d34edd42..23beb4de82f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092908 -RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetin-3-Rhamnoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetin-3-Rhamnoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5281673 CH$LINK: INCHIKEY DCYOADKBABEMIQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092909.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092909.txt index 6cbdea5dd08..f1939fd3849 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092909.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092909 -RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetin-3-Rhamnoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetin-3-Rhamnoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5281673 CH$LINK: INCHIKEY DCYOADKBABEMIQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092910.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092910.txt index 361d434f452..6de9caa622c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092910.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092910.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092910 -RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetin-3-Rhamnoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetin-3-Rhamnoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5281673 CH$LINK: INCHIKEY DCYOADKBABEMIQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092911.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092911.txt index 7cff8199b0e..9c79c1dc315 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092911.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092911.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092911 -RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetin-3-Rhamnoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetin-3-Rhamnoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5281673 CH$LINK: INCHIKEY DCYOADKBABEMIQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092912.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092912.txt index feeff2da46b..8f1069408b9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092912.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS092912.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS092912 -RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetin-3-Rhamnoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: myricetin-3-O-rhamnoside, Myricetin 3-O-alpha-L-rhamnopyranoside, Myricetin-3-Rhamnoside, Myricetrin, 3-((6-Deoxy-alpha-L-mannopyranosyl)oxy)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-benzopyran-4-one, Myrc-3-Rha, Myricitrin, Myricitroside, Myricitrine, Myricetol 3-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5281673 CH$LINK: INCHIKEY DCYOADKBABEMIQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093201.txt index 09022fc1f61..88b2dfee0a3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093201 -RECORD_TITLE: Quercetin-3-Arabinoside, Quer-3-Ara, Guajavarin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3-Arabinoside, Quer-3-Ara, Guajavarin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5481224 CH$LINK: INCHIKEY PZZRDJXEMZMZFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093202.txt index a82a2c5cfaa..e2dc3077a2e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093202 -RECORD_TITLE: Quercetin-3-Arabinoside, Quer-3-Ara, Guajavarin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3-Arabinoside, Quer-3-Ara, Guajavarin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5481224 CH$LINK: INCHIKEY PZZRDJXEMZMZFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093203.txt index c84111ef9cd..337f438e7c1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093203 -RECORD_TITLE: Quercetin-3-Arabinoside, Quer-3-Ara, Guajavarin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3-Arabinoside, Quer-3-Ara, Guajavarin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5481224 CH$LINK: INCHIKEY PZZRDJXEMZMZFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093204.txt index eb738e62ab3..74f0b747ccf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093204 -RECORD_TITLE: Quercetin-3-Arabinoside, Quer-3-Ara, Guajavarin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3-Arabinoside, Quer-3-Ara, Guajavarin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5481224 CH$LINK: INCHIKEY PZZRDJXEMZMZFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093205.txt index 69e93896797..6692d7ecce1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093205 -RECORD_TITLE: Quercetin-3-Arabinoside, Quer-3-Ara, Guajavarin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3-Arabinoside, Quer-3-Ara, Guajavarin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5481224 CH$LINK: INCHIKEY PZZRDJXEMZMZFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093206.txt index ba33a72c88d..5081dce04b3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093206 -RECORD_TITLE: Quercetin-3-Arabinoside, Quer-3-Ara, Guajavarin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3-Arabinoside, Quer-3-Ara, Guajavarin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5481224 CH$LINK: INCHIKEY PZZRDJXEMZMZFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093207.txt index e7d2c155805..f012310b9a4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093207 -RECORD_TITLE: Quercetin-3-Arabinoside, Quer-3-Ara, Guajavarin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3-Arabinoside, Quer-3-Ara, Guajavarin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5481224 CH$LINK: INCHIKEY PZZRDJXEMZMZFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093208.txt index fb96d03f441..1c65344fa51 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093208 -RECORD_TITLE: Quercetin-3-Arabinoside, Quer-3-Ara, Guajavarin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3-Arabinoside, Quer-3-Ara, Guajavarin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5481224 CH$LINK: INCHIKEY PZZRDJXEMZMZFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093209.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093209.txt index 16f37305adb..b8ee5ed6127 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093209.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093209 -RECORD_TITLE: Quercetin-3-Arabinoside, Quer-3-Ara, Guajavarin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3-Arabinoside, Quer-3-Ara, Guajavarin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5481224 CH$LINK: INCHIKEY PZZRDJXEMZMZFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093210.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093210.txt index dc3ab24d567..bc541749b1f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093210.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093210.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093210 -RECORD_TITLE: Quercetin-3-Arabinoside, Quer-3-Ara, Guajavarin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3-Arabinoside, Quer-3-Ara, Guajavarin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5481224 CH$LINK: INCHIKEY PZZRDJXEMZMZFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093211.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093211.txt index a24509b56b0..1de232bb29c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093211.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093211.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093211 -RECORD_TITLE: Quercetin-3-Arabinoside, Quer-3-Ara, Guajavarin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3-Arabinoside, Quer-3-Ara, Guajavarin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5481224 CH$LINK: INCHIKEY PZZRDJXEMZMZFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093212.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093212.txt index 3fab5cb9180..a9ba00a19a1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093212.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093212.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093212 -RECORD_TITLE: Quercetin-3-Arabinoside, Quer-3-Ara, Guajavarin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3-Arabinoside, Quer-3-Ara, Guajavarin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5481224 CH$LINK: INCHIKEY PZZRDJXEMZMZFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093301.txt index a79a3a7f2da..285942d8801 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093301 -RECORD_TITLE: Quercetin-3-Glucuronide, Quer-3-GlcA, Querciturone, Miquelianin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3-Glucuronide, Quer-3-GlcA, Querciturone, Miquelianin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5274585 CH$LINK: INCHIKEY DUBCCGAQYVUYEU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093302.txt index 88ff8314ac8..8164cefced3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093302 -RECORD_TITLE: Quercetin-3-Glucuronide, Quer-3-GlcA, Querciturone, Miquelianin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3-Glucuronide, Quer-3-GlcA, Querciturone, Miquelianin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5274585 CH$LINK: INCHIKEY DUBCCGAQYVUYEU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093303.txt index 1d545eca5f2..1ceaa818393 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093303 -RECORD_TITLE: Quercetin-3-Glucuronide, Quer-3-GlcA, Querciturone, Miquelianin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3-Glucuronide, Quer-3-GlcA, Querciturone, Miquelianin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5274585 CH$LINK: INCHIKEY DUBCCGAQYVUYEU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093304.txt index dd42c4adf2d..93241f306d0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093304 -RECORD_TITLE: Quercetin-3-Glucuronide, Quer-3-GlcA, Querciturone, Miquelianin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3-Glucuronide, Quer-3-GlcA, Querciturone, Miquelianin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5274585 CH$LINK: INCHIKEY DUBCCGAQYVUYEU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093305.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093305.txt index 43712fb05ce..e22b17e970f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093305.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093305 -RECORD_TITLE: Quercetin-3-Glucuronide, Quer-3-GlcA, Querciturone, Miquelianin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3-Glucuronide, Quer-3-GlcA, Querciturone, Miquelianin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5274585 CH$LINK: INCHIKEY DUBCCGAQYVUYEU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093306.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093306.txt index f5bd302027f..33ffec9e1f9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093306.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093306.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093306 -RECORD_TITLE: Quercetin-3-Glucuronide, Quer-3-GlcA, Querciturone, Miquelianin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3-Glucuronide, Quer-3-GlcA, Querciturone, Miquelianin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5274585 CH$LINK: INCHIKEY DUBCCGAQYVUYEU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093307.txt index ecfa32a8b6e..5359f21a2be 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093307 -RECORD_TITLE: Quercetin-3-Glucuronide, Quer-3-GlcA, Querciturone, Miquelianin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3-Glucuronide, Quer-3-GlcA, Querciturone, Miquelianin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5274585 CH$LINK: INCHIKEY DUBCCGAQYVUYEU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093308.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093308.txt index 3f04632cd86..48b9cf1f24a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093308.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093308.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093308 -RECORD_TITLE: Quercetin-3-Glucuronide, Quer-3-GlcA, Querciturone, Miquelianin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3-Glucuronide, Quer-3-GlcA, Querciturone, Miquelianin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5274585 CH$LINK: INCHIKEY DUBCCGAQYVUYEU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093309.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093309.txt index adf9edb4765..50d5cba8628 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093309.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093309.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093309 -RECORD_TITLE: Quercetin-3-Glucuronide, Quer-3-GlcA, Querciturone, Miquelianin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3-Glucuronide, Quer-3-GlcA, Querciturone, Miquelianin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5274585 CH$LINK: INCHIKEY DUBCCGAQYVUYEU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093310.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093310.txt index a627c33b90a..cf3203a7d98 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093310.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093310.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093310 -RECORD_TITLE: Quercetin-3-Glucuronide, Quer-3-GlcA, Querciturone, Miquelianin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3-Glucuronide, Quer-3-GlcA, Querciturone, Miquelianin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5274585 CH$LINK: INCHIKEY DUBCCGAQYVUYEU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093311.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093311.txt index 485265de4a2..b000208885e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093311.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093311.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093311 -RECORD_TITLE: Quercetin-3-Glucuronide, Quer-3-GlcA, Querciturone, Miquelianin; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3-Glucuronide, Quer-3-GlcA, Querciturone, Miquelianin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5274585 CH$LINK: INCHIKEY DUBCCGAQYVUYEU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093501.txt index 059148e81a6..e1358fdfa2b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093501 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, Quercetin-3-Rhamnoside, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, Quercetin-3-Rhamnoside, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093502.txt index 44ded224d47..4fb15e04a0d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093502 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, Quercetin-3-Rhamnoside, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, Quercetin-3-Rhamnoside, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093503.txt index 455a3a22891..32fe06dd5d1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093503 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, Quercetin-3-Rhamnoside, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, Quercetin-3-Rhamnoside, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093504.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093504.txt index 87efd8f349b..940b7028cf2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093504.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093504.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093504 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, Quercetin-3-Rhamnoside, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, Quercetin-3-Rhamnoside, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093505.txt index f2bf2e83dbb..95c2a78dd1b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093505 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, Quercetin-3-Rhamnoside, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, Quercetin-3-Rhamnoside, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093507.txt index eec536f7956..d81457309d2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093507 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, Quercetin-3-Rhamnoside, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, Quercetin-3-Rhamnoside, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093508.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093508.txt index 43277ce1b86..b51fa504868 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093508.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093508 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, Quercetin-3-Rhamnoside, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, Quercetin-3-Rhamnoside, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093509.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093509.txt index f83c9507994..e320e0d7dd3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093509.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093509.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093509 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, Quercetin-3-Rhamnoside, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, Quercetin-3-Rhamnoside, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093510.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093510.txt index ac240fb670e..79f5ffb45ed 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093510.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093510.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093510 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, Quercetin-3-Rhamnoside, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, Quercetin-3-Rhamnoside, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093511.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093511.txt index c0a79b00d24..126abc51568 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093511.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093511.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093511 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, Quercetin-3-Rhamnoside, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, Quercetin-3-Rhamnoside, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093601.txt index 73a2deb606a..1ae77361a3a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093601 -RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3-Rhamnoside-7-Rhamnoside, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3-Rhamnoside-7-Rhamnoside, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093602.txt index 15521a5424e..14bc2ae6527 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093602 -RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3-Rhamnoside-7-Rhamnoside, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3-Rhamnoside-7-Rhamnoside, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093603.txt index b7fc06e23f2..9ba7fe28691 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093603 -RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3-Rhamnoside-7-Rhamnoside, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3-Rhamnoside-7-Rhamnoside, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093604.txt index 0a65bae10c0..c8a9845b3d3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093604 -RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3-Rhamnoside-7-Rhamnoside, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3-Rhamnoside-7-Rhamnoside, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093605.txt index 39bbdc94857..ad9bc515d41 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093605 -RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3-Rhamnoside-7-Rhamnoside, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3-Rhamnoside-7-Rhamnoside, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093606.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093606.txt index 908608c9aac..e9945a4428b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093606.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093606.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093606 -RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3-Rhamnoside-7-Rhamnoside, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3-Rhamnoside-7-Rhamnoside, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093607.txt index 3e6be02571d..bfe20f9c8ed 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093607 -RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3-Rhamnoside-7-Rhamnoside, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3-Rhamnoside-7-Rhamnoside, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093608.txt index c8e45d1b0da..26748100fdf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093608 -RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3-Rhamnoside-7-Rhamnoside, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3-Rhamnoside-7-Rhamnoside, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093609.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093609.txt index 86212a1f6e2..c69aef6bf5e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093609.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093609.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093609 -RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3-Rhamnoside-7-Rhamnoside, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3-Rhamnoside-7-Rhamnoside, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093610.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093610.txt index a2810f99181..5c4a1866ab2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093610.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093610.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093610 -RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3-Rhamnoside-7-Rhamnoside, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3-Rhamnoside-7-Rhamnoside, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093611.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093611.txt index 33b9e2a66ce..dd7edd96370 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093611.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093611.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093611 -RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3-Rhamnoside-7-Rhamnoside, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3-Rhamnoside-7-Rhamnoside, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093612.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093612.txt index 88bb4f34d3a..aee5f0435e3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093612.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS093612.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS093612 -RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3-Rhamnoside-7-Rhamnoside, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaem-3-Rha-7-Rha, Kaempferol-3-Rhamnoside-7-Rhamnoside, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094301.txt index bfc06dd386f..a811ca1897b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS094301 -RECORD_TITLE: alpha-Me-His, alpha-Methyl-DL-histidine dihydrochloride, N-alpha-Methylhistidine; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-Me-His, alpha-Methyl-DL-histidine dihydrochloride, N-alpha-Methylhistidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:4396761 CH$LINK: INCHIKEY HRRYYCWYCMJNGA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094302.txt index 7a1d4d3452e..8aea10513e9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS094302 -RECORD_TITLE: alpha-Me-His, alpha-Methyl-DL-histidine dihydrochloride, N-alpha-Methylhistidine; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-Me-His, alpha-Methyl-DL-histidine dihydrochloride, N-alpha-Methylhistidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:4396761 CH$LINK: INCHIKEY HRRYYCWYCMJNGA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094303.txt index 662110f3bfd..9c9cd00e329 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS094303 -RECORD_TITLE: alpha-Me-His, alpha-Methyl-DL-histidine dihydrochloride, N-alpha-Methylhistidine; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-Me-His, alpha-Methyl-DL-histidine dihydrochloride, N-alpha-Methylhistidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:4396761 CH$LINK: INCHIKEY HRRYYCWYCMJNGA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094307.txt index 8b21f00a367..589a9520ec0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS094307 -RECORD_TITLE: alpha-Me-His, alpha-Methyl-DL-histidine dihydrochloride, N-alpha-Methylhistidine; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-Me-His, alpha-Methyl-DL-histidine dihydrochloride, N-alpha-Methylhistidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:4396761 CH$LINK: INCHIKEY HRRYYCWYCMJNGA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094505.txt index 5ecd7f404f3..56e4fcbfaa6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS094505 -RECORD_TITLE: HMG, Lipoglutaren, alpha-Keto-beta-oxy-beta-methylvalerate, HMGA, Meglutol, beta-Hydroxy-beta-methylglutaric acid, Medroglutaric acid, 3-Hydroxy-3-methylglutarate, 3-Hydroxy-3-methylglutaric Acid, 3-Hydroxy-3-methylpentanedioic acid, Dicrotalic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: HMG, Lipoglutaren, alpha-Keto-beta-oxy-beta-methylvalerate, HMGA, Meglutol, beta-Hydroxy-beta-methylglutaric acid, Medroglutaric acid, 3-Hydroxy-3-methylglutarate, 3-Hydroxy-3-methylglutaric Acid, 3-Hydroxy-3-methylpentanedioic acid, Dicrotalic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:1662 CH$LINK: INCHIKEY NPOAOTPXWNWTSH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094507.txt index 10de1d15108..8237ec4b5d9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS094507 -RECORD_TITLE: HMG, Lipoglutaren, alpha-Keto-beta-oxy-beta-methylvalerate, HMGA, Meglutol, beta-Hydroxy-beta-methylglutaric acid, Medroglutaric acid, 3-Hydroxy-3-methylglutarate, 3-Hydroxy-3-methylglutaric Acid, 3-Hydroxy-3-methylpentanedioic acid, Dicrotalic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: HMG, Lipoglutaren, alpha-Keto-beta-oxy-beta-methylvalerate, HMGA, Meglutol, beta-Hydroxy-beta-methylglutaric acid, Medroglutaric acid, 3-Hydroxy-3-methylglutarate, 3-Hydroxy-3-methylglutaric Acid, 3-Hydroxy-3-methylpentanedioic acid, Dicrotalic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:1662 CH$LINK: INCHIKEY NPOAOTPXWNWTSH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094607.txt index 36887e5bb7c..eae0de068f5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS094607 -RECORD_TITLE: Urinary indican, 3-Sulfooxy-1H-Indole, 3-Indoxylsulfate potassium salt, indol-3-yl sulfate, 3-Indoxylsulfuric acid, 3-Indolyl Sulfate, IOS; LC-ESI-QQ; MS2 +RECORD_TITLE: Urinary indican, 3-Sulfooxy-1H-Indole, 3-Indoxylsulfate potassium salt, indol-3-yl sulfate, 3-Indoxylsulfuric acid, 3-Indolyl Sulfate, IOS; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:10258 CH$LINK: INCHIKEY BXFFHSIDQOFMLE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004258; Organic compounds; Organic acids and derivatives; Organic sulfuric acids and derivatives; Arylsulfates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094608.txt index 3c780265006..7b9a7bf083f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS094608 -RECORD_TITLE: Urinary indican, 3-Sulfooxy-1H-Indole, 3-Indoxylsulfate potassium salt, indol-3-yl sulfate, 3-Indoxylsulfuric acid, 3-Indolyl Sulfate, IOS; LC-ESI-QQ; MS2 +RECORD_TITLE: Urinary indican, 3-Sulfooxy-1H-Indole, 3-Indoxylsulfate potassium salt, indol-3-yl sulfate, 3-Indoxylsulfuric acid, 3-Indolyl Sulfate, IOS; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:10258 CH$LINK: INCHIKEY BXFFHSIDQOFMLE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004258; Organic compounds; Organic acids and derivatives; Organic sulfuric acids and derivatives; Arylsulfates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094609.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094609.txt index 9605fb03267..15e6762de30 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094609.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094609.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS094609 -RECORD_TITLE: Urinary indican, 3-Sulfooxy-1H-Indole, 3-Indoxylsulfate potassium salt, indol-3-yl sulfate, 3-Indoxylsulfuric acid, 3-Indolyl Sulfate, IOS; LC-ESI-QQ; MS2 +RECORD_TITLE: Urinary indican, 3-Sulfooxy-1H-Indole, 3-Indoxylsulfate potassium salt, indol-3-yl sulfate, 3-Indoxylsulfuric acid, 3-Indolyl Sulfate, IOS; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:10258 CH$LINK: INCHIKEY BXFFHSIDQOFMLE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004258; Organic compounds; Organic acids and derivatives; Organic sulfuric acids and derivatives; Arylsulfates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094610.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094610.txt index 61d966f12b9..86e5544dda4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094610.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094610.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS094610 -RECORD_TITLE: Urinary indican, 3-Sulfooxy-1H-Indole, 3-Indoxylsulfate potassium salt, indol-3-yl sulfate, 3-Indoxylsulfuric acid, 3-Indolyl Sulfate, IOS; LC-ESI-QQ; MS2 +RECORD_TITLE: Urinary indican, 3-Sulfooxy-1H-Indole, 3-Indoxylsulfate potassium salt, indol-3-yl sulfate, 3-Indoxylsulfuric acid, 3-Indolyl Sulfate, IOS; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:10258 CH$LINK: INCHIKEY BXFFHSIDQOFMLE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004258; Organic compounds; Organic acids and derivatives; Organic sulfuric acids and derivatives; Arylsulfates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094807.txt index 2fe7b0f8588..49cb1a79d5d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS094807 -RECORD_TITLE: Adipate, 1,6-Hexanedioate, 1,6-Hexane diacid, Acinetten, Adipinic acid, Adipic acid, Dicarboxylic Acid C6, Hexan-1,6-dicarboxylate, Acifloctin, Adilactetten, 1,6-Hexanedioic acid, Adipinsaeure, Butane-1,4-dicarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Adipate, 1,6-Hexanedioate, 1,6-Hexane diacid, Acinetten, Adipinic acid, Adipic acid, Dicarboxylic Acid C6, Hexan-1,6-dicarboxylate, Acifloctin, Adilactetten, 1,6-Hexanedioic acid, Adipinsaeure, Butane-1,4-dicarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -36,7 +36,7 @@ CH$LINK: PUBCHEM CID:196 CH$LINK: INCHIKEY WNLRTRBMVRJNCN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094901.txt index 7beaee3c000..432e5ef5917 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS094901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS094901 -RECORD_TITLE: Suberic acid bis(N-hydroxysuccinimide ester), DSS, N-hydroxysuccinimide suberic acid ester , DSIS, Disuccinimidyl octanedioate, DSS (Chemical Shape Indicator), Disuccinimidyl suberate, Nhs-SA; LC-ESI-QQ; MS2 +RECORD_TITLE: Suberic acid bis(N-hydroxysuccinimide ester), DSS, N-hydroxysuccinimide suberic acid ester , DSIS, Disuccinimidyl octanedioate, DSS (Chemical Shape Indicator), Disuccinimidyl suberate, Nhs-SA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:100658 CH$LINK: INCHIKEY ZWIBGKZDAWNIFC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095101.txt index 55e9be09656..43b5a93d4bf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS095101 -RECORD_TITLE: N,N-Dimethylglycine hydrochloride, N-Methylsarcosine hydrochloride, N,N-Dimethylaminoacetic acid hydrochloride, Dmg, 2-dimethylaminoacetic acid hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: N,N-Dimethylglycine hydrochloride, N-Methylsarcosine hydrochloride, N,N-Dimethylaminoacetic acid hydrochloride, Dmg, 2-dimethylaminoacetic acid hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:673 CH$LINK: INCHIKEY FFDGPVCHZBVARC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095102.txt index 7cf420202cf..65197e3ffba 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS095102 -RECORD_TITLE: N,N-Dimethylglycine hydrochloride, N-Methylsarcosine hydrochloride, N,N-Dimethylaminoacetic acid hydrochloride, Dmg, 2-dimethylaminoacetic acid hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: N,N-Dimethylglycine hydrochloride, N-Methylsarcosine hydrochloride, N,N-Dimethylaminoacetic acid hydrochloride, Dmg, 2-dimethylaminoacetic acid hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:673 CH$LINK: INCHIKEY FFDGPVCHZBVARC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095103.txt index ee3ad7a69dd..c364a02bcb5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS095103 -RECORD_TITLE: N,N-Dimethylglycine hydrochloride, N-Methylsarcosine hydrochloride, N,N-Dimethylaminoacetic acid hydrochloride, Dmg, 2-dimethylaminoacetic acid hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: N,N-Dimethylglycine hydrochloride, N-Methylsarcosine hydrochloride, N,N-Dimethylaminoacetic acid hydrochloride, Dmg, 2-dimethylaminoacetic acid hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:673 CH$LINK: INCHIKEY FFDGPVCHZBVARC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095104.txt index ea3386d9038..a18b80de1d7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS095104 -RECORD_TITLE: N,N-Dimethylglycine hydrochloride, N-Methylsarcosine hydrochloride, N,N-Dimethylaminoacetic acid hydrochloride, Dmg, 2-dimethylaminoacetic acid hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: N,N-Dimethylglycine hydrochloride, N-Methylsarcosine hydrochloride, N,N-Dimethylaminoacetic acid hydrochloride, Dmg, 2-dimethylaminoacetic acid hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:673 CH$LINK: INCHIKEY FFDGPVCHZBVARC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095105.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095105.txt index 9eb292a460c..dd9442f7026 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095105.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS095105 -RECORD_TITLE: N,N-Dimethylglycine hydrochloride, N-Methylsarcosine hydrochloride, N,N-Dimethylaminoacetic acid hydrochloride, Dmg, 2-dimethylaminoacetic acid hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: N,N-Dimethylglycine hydrochloride, N-Methylsarcosine hydrochloride, N,N-Dimethylaminoacetic acid hydrochloride, Dmg, 2-dimethylaminoacetic acid hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:673 CH$LINK: INCHIKEY FFDGPVCHZBVARC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095201.txt index 26955a9e365..b8559b19928 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS095201 -RECORD_TITLE: DHB, Gensigen, 5-Hydroxysalicylic acid, Gentisic acid, Gentalpin, Gentidol, 2,5-Dihydroxybenzoate, 2,5-Dioxybenzoic acid, Gentisate, 2,5-dihydroxy benzoic acid, Gentinatre, Gentasol, 2,5-DHBA, Gentisan, Hydroquinonecarboxylic acid, Gentisod; LC-ESI-QQ; MS2 +RECORD_TITLE: DHB, Gensigen, 5-Hydroxysalicylic acid, Gentisic acid, Gentalpin, Gentidol, 2,5-Dihydroxybenzoate, 2,5-Dioxybenzoic acid, Gentisate, 2,5-dihydroxy benzoic acid, Gentinatre, Gentasol, 2,5-DHBA, Gentisan, Hydroquinonecarboxylic acid, Gentisod; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -39,7 +39,7 @@ CH$LINK: PUBCHEM CID:3469 CH$LINK: INCHIKEY WXTMDXOMEHJXQO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095207.txt index 7291e5c412b..67e3f14105f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS095207 -RECORD_TITLE: DHB, Gensigen, 5-Hydroxysalicylic acid, Gentisic acid, Gentalpin, Gentidol, 2,5-Dihydroxybenzoate, 2,5-Dioxybenzoic acid, Gentisate, 2,5-dihydroxy benzoic acid, Gentinatre, Gentasol, 2,5-DHBA, Gentisan, Hydroquinonecarboxylic acid, Gentisod; LC-ESI-QQ; MS2 +RECORD_TITLE: DHB, Gensigen, 5-Hydroxysalicylic acid, Gentisic acid, Gentalpin, Gentidol, 2,5-Dihydroxybenzoate, 2,5-Dioxybenzoic acid, Gentisate, 2,5-dihydroxy benzoic acid, Gentinatre, Gentasol, 2,5-DHBA, Gentisan, Hydroquinonecarboxylic acid, Gentisod; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -39,7 +39,7 @@ CH$LINK: PUBCHEM CID:3469 CH$LINK: INCHIKEY WXTMDXOMEHJXQO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095208.txt index d0fff2ab2b6..afb177010a8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS095208 -RECORD_TITLE: DHB, Gensigen, 5-Hydroxysalicylic acid, Gentisic acid, Gentalpin, Gentidol, 2,5-Dihydroxybenzoate, 2,5-Dioxybenzoic acid, Gentisate, 2,5-dihydroxy benzoic acid, Gentinatre, Gentasol, 2,5-DHBA, Gentisan, Hydroquinonecarboxylic acid, Gentisod; LC-ESI-QQ; MS2 +RECORD_TITLE: DHB, Gensigen, 5-Hydroxysalicylic acid, Gentisic acid, Gentalpin, Gentidol, 2,5-Dihydroxybenzoate, 2,5-Dioxybenzoic acid, Gentisate, 2,5-dihydroxy benzoic acid, Gentinatre, Gentasol, 2,5-DHBA, Gentisan, Hydroquinonecarboxylic acid, Gentisod; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -39,7 +39,7 @@ CH$LINK: PUBCHEM CID:3469 CH$LINK: INCHIKEY WXTMDXOMEHJXQO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095209.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095209.txt index 7299276e0c8..76bf4b0c7db 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095209.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS095209 -RECORD_TITLE: DHB, Gensigen, 5-Hydroxysalicylic acid, Gentisic acid, Gentalpin, Gentidol, 2,5-Dihydroxybenzoate, 2,5-Dioxybenzoic acid, Gentisate, 2,5-dihydroxy benzoic acid, Gentinatre, Gentasol, 2,5-DHBA, Gentisan, Hydroquinonecarboxylic acid, Gentisod; LC-ESI-QQ; MS2 +RECORD_TITLE: DHB, Gensigen, 5-Hydroxysalicylic acid, Gentisic acid, Gentalpin, Gentidol, 2,5-Dihydroxybenzoate, 2,5-Dioxybenzoic acid, Gentisate, 2,5-dihydroxy benzoic acid, Gentinatre, Gentasol, 2,5-DHBA, Gentisan, Hydroquinonecarboxylic acid, Gentisod; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -39,7 +39,7 @@ CH$LINK: PUBCHEM CID:3469 CH$LINK: INCHIKEY WXTMDXOMEHJXQO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095301.txt index cbf85366400..0cb01700791 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS095301 -RECORD_TITLE: Hippuric Acid, Benzoylaminoacetic acid, Hippurate, N-Benzoylglycine, Benzamidoacetic acid, Phenylcarbonylaminoacetic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Hippuric Acid, Benzoylaminoacetic acid, Hippurate, N-Benzoylglycine, Benzamidoacetic acid, Phenylcarbonylaminoacetic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:464 CH$LINK: INCHIKEY QIAFMBKCNZACKA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095302.txt index 66e37f1fb82..8e93867b53b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS095302 -RECORD_TITLE: Hippuric Acid, Benzoylaminoacetic acid, Hippurate, N-Benzoylglycine, Benzamidoacetic acid, Phenylcarbonylaminoacetic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Hippuric Acid, Benzoylaminoacetic acid, Hippurate, N-Benzoylglycine, Benzamidoacetic acid, Phenylcarbonylaminoacetic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:464 CH$LINK: INCHIKEY QIAFMBKCNZACKA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095303.txt index 3be80533ee7..dc4bc6fcfa8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS095303 -RECORD_TITLE: Hippuric Acid, Benzoylaminoacetic acid, Hippurate, N-Benzoylglycine, Benzamidoacetic acid, Phenylcarbonylaminoacetic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Hippuric Acid, Benzoylaminoacetic acid, Hippurate, N-Benzoylglycine, Benzamidoacetic acid, Phenylcarbonylaminoacetic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:464 CH$LINK: INCHIKEY QIAFMBKCNZACKA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095304.txt index 7658758a417..beffa9dd5f2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS095304 -RECORD_TITLE: Hippuric Acid, Benzoylaminoacetic acid, Hippurate, N-Benzoylglycine, Benzamidoacetic acid, Phenylcarbonylaminoacetic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Hippuric Acid, Benzoylaminoacetic acid, Hippurate, N-Benzoylglycine, Benzamidoacetic acid, Phenylcarbonylaminoacetic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:464 CH$LINK: INCHIKEY QIAFMBKCNZACKA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095305.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095305.txt index fbb6c26c8df..a166587a14f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095305.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS095305 -RECORD_TITLE: Hippuric Acid, Benzoylaminoacetic acid, Hippurate, N-Benzoylglycine, Benzamidoacetic acid, Phenylcarbonylaminoacetic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Hippuric Acid, Benzoylaminoacetic acid, Hippurate, N-Benzoylglycine, Benzamidoacetic acid, Phenylcarbonylaminoacetic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:464 CH$LINK: INCHIKEY QIAFMBKCNZACKA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095306.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095306.txt index d4722d4eb8d..163905e82ba 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095306.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095306.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS095306 -RECORD_TITLE: Hippuric Acid, Benzoylaminoacetic acid, Hippurate, N-Benzoylglycine, Benzamidoacetic acid, Phenylcarbonylaminoacetic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Hippuric Acid, Benzoylaminoacetic acid, Hippurate, N-Benzoylglycine, Benzamidoacetic acid, Phenylcarbonylaminoacetic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:464 CH$LINK: INCHIKEY QIAFMBKCNZACKA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095401.txt index 67b1c5cb7fb..49cde63fb3d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS095401 -RECORD_TITLE: Isopropylacetic acid, 3-Methylbutanoic acid, Isovalerate, Delphinic acid, 3-Methylbutyric acid, Isovaleric Acid, 3-Methylbutyrate, Isovaieric acid, Isovalerianic acid, iso-Pentanoic acid, beta-Methylbutyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Isopropylacetic acid, 3-Methylbutanoic acid, Isovalerate, Delphinic acid, 3-Methylbutyric acid, Isovaleric Acid, 3-Methylbutyrate, Isovaieric acid, Isovalerianic acid, iso-Pentanoic acid, beta-Methylbutyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:10430 CH$LINK: INCHIKEY GWYFCOCPABKNJV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095907.txt index 00cf39a65df..45bffca390a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS095907 -RECORD_TITLE: o-Hydroxybenzoic acid, 2-Carboxyphenol, Verrugon, SA, Phenol-2-carboxylic acid, 2-Hydroxybenzenecarboxylic acid, Salicylate, Salonil, Salicylic Acid, 2-Hydroxybenzoic acid, Rutranex; LC-ESI-QQ; MS2 +RECORD_TITLE: o-Hydroxybenzoic acid, 2-Carboxyphenol, Verrugon, SA, Phenol-2-carboxylic acid, 2-Hydroxybenzenecarboxylic acid, Salicylate, Salonil, Salicylic Acid, 2-Hydroxybenzoic acid, Rutranex; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:338 CH$LINK: INCHIKEY YGSDEFSMJLZEOE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095908.txt index 90dcfa6ca1b..afbeb22ee3f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS095908 -RECORD_TITLE: o-Hydroxybenzoic acid, 2-Carboxyphenol, Verrugon, SA, Phenol-2-carboxylic acid, 2-Hydroxybenzenecarboxylic acid, Salicylate, Salonil, Salicylic Acid, 2-Hydroxybenzoic acid, Rutranex; LC-ESI-QQ; MS2 +RECORD_TITLE: o-Hydroxybenzoic acid, 2-Carboxyphenol, Verrugon, SA, Phenol-2-carboxylic acid, 2-Hydroxybenzenecarboxylic acid, Salicylate, Salonil, Salicylic Acid, 2-Hydroxybenzoic acid, Rutranex; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:338 CH$LINK: INCHIKEY YGSDEFSMJLZEOE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095909.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095909.txt index 5bb5f2012de..efa3a3ffc21 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095909.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS095909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS095909 -RECORD_TITLE: o-Hydroxybenzoic acid, 2-Carboxyphenol, Verrugon, SA, Phenol-2-carboxylic acid, 2-Hydroxybenzenecarboxylic acid, Salicylate, Salonil, Salicylic Acid, 2-Hydroxybenzoic acid, Rutranex; LC-ESI-QQ; MS2 +RECORD_TITLE: o-Hydroxybenzoic acid, 2-Carboxyphenol, Verrugon, SA, Phenol-2-carboxylic acid, 2-Hydroxybenzenecarboxylic acid, Salicylate, Salonil, Salicylic Acid, 2-Hydroxybenzoic acid, Rutranex; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:338 CH$LINK: INCHIKEY YGSDEFSMJLZEOE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096101.txt index 819a3db7254..e15bcb0ef25 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS096101 -RECORD_TITLE: TMANO, Trimethylamine N-oxide dihydrate, N,N-Dimethylmethanamine oxide, TMAO; LC-ESI-QQ; MS2 +RECORD_TITLE: TMANO, Trimethylamine N-oxide dihydrate, N,N-Dimethylmethanamine oxide, TMAO; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:1145 CH$LINK: INCHIKEY UYPYRKYUKCHHIB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003993; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Aminoxides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096102.txt index 381a0346f72..bb00cab08b3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS096102 -RECORD_TITLE: TMANO, Trimethylamine N-oxide dihydrate, N,N-Dimethylmethanamine oxide, TMAO; LC-ESI-QQ; MS2 +RECORD_TITLE: TMANO, Trimethylamine N-oxide dihydrate, N,N-Dimethylmethanamine oxide, TMAO; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:1145 CH$LINK: INCHIKEY UYPYRKYUKCHHIB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003993; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Aminoxides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096103.txt index cc98741807c..ed1da596faf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS096103 -RECORD_TITLE: TMANO, Trimethylamine N-oxide dihydrate, N,N-Dimethylmethanamine oxide, TMAO; LC-ESI-QQ; MS2 +RECORD_TITLE: TMANO, Trimethylamine N-oxide dihydrate, N,N-Dimethylmethanamine oxide, TMAO; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:1145 CH$LINK: INCHIKEY UYPYRKYUKCHHIB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003993; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Aminoxides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096104.txt index 5b3dc2e4cdf..b7e0fb867b3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS096104 -RECORD_TITLE: TMANO, Trimethylamine N-oxide dihydrate, N,N-Dimethylmethanamine oxide, TMAO; LC-ESI-QQ; MS2 +RECORD_TITLE: TMANO, Trimethylamine N-oxide dihydrate, N,N-Dimethylmethanamine oxide, TMAO; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:1145 CH$LINK: INCHIKEY UYPYRKYUKCHHIB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0003993; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Aminoxides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096207.txt index ae206d29be7..81887556061 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS096207 -RECORD_TITLE: 1,2-Propanedicarboxylic acid, 2-Methylbutanedioic acid, Propane-1,2-dicarboxylic Acid, Pyrotartaric Acid, 2-Methylsuccinate, Methylsuccinic acid ; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,2-Propanedicarboxylic acid, 2-Methylbutanedioic acid, Propane-1,2-dicarboxylic Acid, Pyrotartaric Acid, 2-Methylsuccinate, Methylsuccinic acid ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:10349 CH$LINK: INCHIKEY WXUAQHNMJWJLTG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096208.txt index 0a1294ebad2..53b2a54ecf5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS096208 -RECORD_TITLE: 1,2-Propanedicarboxylic acid, 2-Methylbutanedioic acid, Propane-1,2-dicarboxylic Acid, Pyrotartaric Acid, 2-Methylsuccinate, Methylsuccinic acid ; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,2-Propanedicarboxylic acid, 2-Methylbutanedioic acid, Propane-1,2-dicarboxylic Acid, Pyrotartaric Acid, 2-Methylsuccinate, Methylsuccinic acid ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:10349 CH$LINK: INCHIKEY WXUAQHNMJWJLTG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096401.txt index 38b13ca64c6..3cb38c3d976 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS096401 -RECORD_TITLE: (S)-alpha-Methylbenzeneacetic Acid, (S)-(+)-2-Phenylpropionate, (S)-(+)-Hydratropic acid, (S)-HTA, (S)-Hydratropasaeure, (S)-(+)-2-Phenylpropionic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-alpha-Methylbenzeneacetic Acid, (S)-(+)-2-Phenylpropionate, (S)-(+)-Hydratropic acid, (S)-HTA, (S)-Hydratropasaeure, (S)-(+)-2-Phenylpropionic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:2724622 CH$LINK: INCHIKEY YPGCWEMNNLXISK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096402.txt index fc5e7b5995a..98e38bebb74 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS096402 -RECORD_TITLE: (S)-alpha-Methylbenzeneacetic Acid, (S)-(+)-2-Phenylpropionate, (S)-(+)-Hydratropic acid, (S)-HTA, (S)-Hydratropasaeure, (S)-(+)-2-Phenylpropionic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-alpha-Methylbenzeneacetic Acid, (S)-(+)-2-Phenylpropionate, (S)-(+)-Hydratropic acid, (S)-HTA, (S)-Hydratropasaeure, (S)-(+)-2-Phenylpropionic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:2724622 CH$LINK: INCHIKEY YPGCWEMNNLXISK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096403.txt index 09ee30f0e2e..c3c3f02313d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS096403 -RECORD_TITLE: (S)-alpha-Methylbenzeneacetic Acid, (S)-(+)-2-Phenylpropionate, (S)-(+)-Hydratropic acid, (S)-HTA, (S)-Hydratropasaeure, (S)-(+)-2-Phenylpropionic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-alpha-Methylbenzeneacetic Acid, (S)-(+)-2-Phenylpropionate, (S)-(+)-Hydratropic acid, (S)-HTA, (S)-Hydratropasaeure, (S)-(+)-2-Phenylpropionic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:2724622 CH$LINK: INCHIKEY YPGCWEMNNLXISK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096407.txt index 3c020e8ae18..bffd9c6e2ae 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS096407 -RECORD_TITLE: (S)-alpha-Methylbenzeneacetic Acid, (S)-(+)-2-Phenylpropionate, (S)-(+)-Hydratropic acid, (S)-HTA, (S)-Hydratropasaeure, (S)-(+)-2-Phenylpropionic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (S)-alpha-Methylbenzeneacetic Acid, (S)-(+)-2-Phenylpropionate, (S)-(+)-Hydratropic acid, (S)-HTA, (S)-Hydratropasaeure, (S)-(+)-2-Phenylpropionic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:2724622 CH$LINK: INCHIKEY YPGCWEMNNLXISK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096701.txt index b49a57de164..2af2ebe3d2b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS096701 -RECORD_TITLE: 3-Methyl-L-histidine, N-pros-Methyl-L-histidine, 3-(1-Methylimidazol-5-yl)-L-alanine, 3-Me-His; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Methyl-L-histidine, N-pros-Methyl-L-histidine, 3-(1-Methylimidazol-5-yl)-L-alanine, 3-Me-His; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:64969 CH$LINK: INCHIKEY JDHILDINMRGULE-LURJTMIESA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096702.txt index c2baba44071..7db605c7478 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS096702 -RECORD_TITLE: 3-Methyl-L-histidine, N-pros-Methyl-L-histidine, 3-(1-Methylimidazol-5-yl)-L-alanine, 3-Me-His; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Methyl-L-histidine, N-pros-Methyl-L-histidine, 3-(1-Methylimidazol-5-yl)-L-alanine, 3-Me-His; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:64969 CH$LINK: INCHIKEY JDHILDINMRGULE-LURJTMIESA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096703.txt index 5e768a38b1b..84a480c741e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS096703 -RECORD_TITLE: 3-Methyl-L-histidine, N-pros-Methyl-L-histidine, 3-(1-Methylimidazol-5-yl)-L-alanine, 3-Me-His; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Methyl-L-histidine, N-pros-Methyl-L-histidine, 3-(1-Methylimidazol-5-yl)-L-alanine, 3-Me-His; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:64969 CH$LINK: INCHIKEY JDHILDINMRGULE-LURJTMIESA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096704.txt index cfa21ca2774..301e7f19c1d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS096704 -RECORD_TITLE: 3-Methyl-L-histidine, N-pros-Methyl-L-histidine, 3-(1-Methylimidazol-5-yl)-L-alanine, 3-Me-His; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Methyl-L-histidine, N-pros-Methyl-L-histidine, 3-(1-Methylimidazol-5-yl)-L-alanine, 3-Me-His; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:64969 CH$LINK: INCHIKEY JDHILDINMRGULE-LURJTMIESA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096705.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096705.txt index 23bd999153d..acc28745cee 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096705.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS096705 -RECORD_TITLE: 3-Methyl-L-histidine, N-pros-Methyl-L-histidine, 3-(1-Methylimidazol-5-yl)-L-alanine, 3-Me-His; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Methyl-L-histidine, N-pros-Methyl-L-histidine, 3-(1-Methylimidazol-5-yl)-L-alanine, 3-Me-His; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:64969 CH$LINK: INCHIKEY JDHILDINMRGULE-LURJTMIESA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096707.txt index 21ec0ea2045..4f80d0ccd7f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS096707 -RECORD_TITLE: 3-Methyl-L-histidine, N-pros-Methyl-L-histidine, 3-(1-Methylimidazol-5-yl)-L-alanine, 3-Me-His; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Methyl-L-histidine, N-pros-Methyl-L-histidine, 3-(1-Methylimidazol-5-yl)-L-alanine, 3-Me-His; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:64969 CH$LINK: INCHIKEY JDHILDINMRGULE-LURJTMIESA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096801.txt index 34d2665f4e5..465de5ab8b0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS096801 -RECORD_TITLE: 5-Hydroxyindole-3-acetate , 5-HIAA, 5-Oxyindoleacetic acid, 5-Hydroxyindol-3-ylacetic acid, 5-Hydroxyindolylacetic Acid, 5-Hydroxy-IAA, 5-Hydroxyindole-3-acetic acid, 5-Hydroxyheteroauxin; LC-ESI-QQ; MS2 +RECORD_TITLE: 5-Hydroxyindole-3-acetate , 5-HIAA, 5-Oxyindoleacetic acid, 5-Hydroxyindol-3-ylacetic acid, 5-Hydroxyindolylacetic Acid, 5-Hydroxy-IAA, 5-Hydroxyindole-3-acetic acid, 5-Hydroxyheteroauxin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:1826 CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096802.txt index 5211c4b5be0..f0189103114 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS096802 -RECORD_TITLE: 5-Hydroxyindole-3-acetate , 5-HIAA, 5-Oxyindoleacetic acid, 5-Hydroxyindol-3-ylacetic acid, 5-Hydroxyindolylacetic Acid, 5-Hydroxy-IAA, 5-Hydroxyindole-3-acetic acid, 5-Hydroxyheteroauxin; LC-ESI-QQ; MS2 +RECORD_TITLE: 5-Hydroxyindole-3-acetate , 5-HIAA, 5-Oxyindoleacetic acid, 5-Hydroxyindol-3-ylacetic acid, 5-Hydroxyindolylacetic Acid, 5-Hydroxy-IAA, 5-Hydroxyindole-3-acetic acid, 5-Hydroxyheteroauxin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:1826 CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096803.txt index 3f210f4ef82..ac486fd12da 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS096803 -RECORD_TITLE: 5-Hydroxyindole-3-acetate , 5-HIAA, 5-Oxyindoleacetic acid, 5-Hydroxyindol-3-ylacetic acid, 5-Hydroxyindolylacetic Acid, 5-Hydroxy-IAA, 5-Hydroxyindole-3-acetic acid, 5-Hydroxyheteroauxin; LC-ESI-QQ; MS2 +RECORD_TITLE: 5-Hydroxyindole-3-acetate , 5-HIAA, 5-Oxyindoleacetic acid, 5-Hydroxyindol-3-ylacetic acid, 5-Hydroxyindolylacetic Acid, 5-Hydroxy-IAA, 5-Hydroxyindole-3-acetic acid, 5-Hydroxyheteroauxin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:1826 CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096804.txt index 9bcccdfdb6f..e61fe3b2c30 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS096804 -RECORD_TITLE: 5-Hydroxyindole-3-acetate , 5-HIAA, 5-Oxyindoleacetic acid, 5-Hydroxyindol-3-ylacetic acid, 5-Hydroxyindolylacetic Acid, 5-Hydroxy-IAA, 5-Hydroxyindole-3-acetic acid, 5-Hydroxyheteroauxin; LC-ESI-QQ; MS2 +RECORD_TITLE: 5-Hydroxyindole-3-acetate , 5-HIAA, 5-Oxyindoleacetic acid, 5-Hydroxyindol-3-ylacetic acid, 5-Hydroxyindolylacetic Acid, 5-Hydroxy-IAA, 5-Hydroxyindole-3-acetic acid, 5-Hydroxyheteroauxin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:1826 CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096807.txt index 386176bf4ef..8bce3ef6731 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS096807 -RECORD_TITLE: 5-Hydroxyindole-3-acetate , 5-HIAA, 5-Oxyindoleacetic acid, 5-Hydroxyindol-3-ylacetic acid, 5-Hydroxyindolylacetic Acid, 5-Hydroxy-IAA, 5-Hydroxyindole-3-acetic acid, 5-Hydroxyheteroauxin; LC-ESI-QQ; MS2 +RECORD_TITLE: 5-Hydroxyindole-3-acetate , 5-HIAA, 5-Oxyindoleacetic acid, 5-Hydroxyindol-3-ylacetic acid, 5-Hydroxyindolylacetic Acid, 5-Hydroxy-IAA, 5-Hydroxyindole-3-acetic acid, 5-Hydroxyheteroauxin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:1826 CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096809.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096809.txt index 6273cb915c7..51fbb704684 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096809.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096809.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS096809 -RECORD_TITLE: 5-Hydroxyindole-3-acetate , 5-HIAA, 5-Oxyindoleacetic acid, 5-Hydroxyindol-3-ylacetic acid, 5-Hydroxyindolylacetic Acid, 5-Hydroxy-IAA, 5-Hydroxyindole-3-acetic acid, 5-Hydroxyheteroauxin; LC-ESI-QQ; MS2 +RECORD_TITLE: 5-Hydroxyindole-3-acetate , 5-HIAA, 5-Oxyindoleacetic acid, 5-Hydroxyindol-3-ylacetic acid, 5-Hydroxyindolylacetic Acid, 5-Hydroxy-IAA, 5-Hydroxyindole-3-acetic acid, 5-Hydroxyheteroauxin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:1826 CH$LINK: INCHIKEY DUUGKQCEGZLZNO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001290; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolyl carboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096901.txt index b078569bcc0..876b14161fc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS096901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS096901 -RECORD_TITLE: Benzeneformic acid, Benzen carboxilic acid, Benzenemethanoic acid, Carboxybenzene, Dracylic acid, Benthic Acid, Benzoate, Benzoic acid , phenylformic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Benzeneformic acid, Benzen carboxilic acid, Benzenemethanoic acid, Carboxybenzene, Dracylic acid, Benthic Acid, Benzoate, Benzoic acid , phenylformic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:243 CH$LINK: INCHIKEY WPYMKLBDIGXBTP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097007.txt index 6f8da37bc03..5416d0c85dd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS097007 -RECORD_TITLE: D-(+)-Glyceric acid hemicalcium salt , Glycerate, 2,3-Dihydroxypropanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: D-(+)-Glyceric acid hemicalcium salt , Glycerate, 2,3-Dihydroxypropanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439194 CH$LINK: INCHIKEY RBNPOMFGQQGHHO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097101.txt index 2448e176610..e7f5c47806c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS097101 -RECORD_TITLE: 5-Hydroxy-Lys, 2,6-Diamino-5-hydroxyhexanoic acid , 2,6-Diamino-5-hydroxycaproic acid, DL-5-Hydroxylysine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 5-Hydroxy-Lys, 2,6-Diamino-5-hydroxyhexanoic acid , 2,6-Diamino-5-hydroxycaproic acid, DL-5-Hydroxylysine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:1029 CH$LINK: INCHIKEY YSMODUONRAFBET-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097102.txt index 9a053d69979..84bbec0f272 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS097102 -RECORD_TITLE: 5-Hydroxy-Lys, 2,6-Diamino-5-hydroxyhexanoic acid , 2,6-Diamino-5-hydroxycaproic acid, DL-5-Hydroxylysine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 5-Hydroxy-Lys, 2,6-Diamino-5-hydroxyhexanoic acid , 2,6-Diamino-5-hydroxycaproic acid, DL-5-Hydroxylysine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:1029 CH$LINK: INCHIKEY YSMODUONRAFBET-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097103.txt index 47d0e021c4c..8c3f92c79e4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS097103 -RECORD_TITLE: 5-Hydroxy-Lys, 2,6-Diamino-5-hydroxyhexanoic acid , 2,6-Diamino-5-hydroxycaproic acid, DL-5-Hydroxylysine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 5-Hydroxy-Lys, 2,6-Diamino-5-hydroxyhexanoic acid , 2,6-Diamino-5-hydroxycaproic acid, DL-5-Hydroxylysine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:1029 CH$LINK: INCHIKEY YSMODUONRAFBET-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097104.txt index 641c839bb57..8df5a22cad4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS097104 -RECORD_TITLE: 5-Hydroxy-Lys, 2,6-Diamino-5-hydroxyhexanoic acid , 2,6-Diamino-5-hydroxycaproic acid, DL-5-Hydroxylysine hydrochloride; LC-ESI-QQ; MS2 +RECORD_TITLE: 5-Hydroxy-Lys, 2,6-Diamino-5-hydroxyhexanoic acid , 2,6-Diamino-5-hydroxycaproic acid, DL-5-Hydroxylysine hydrochloride; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:1029 CH$LINK: INCHIKEY YSMODUONRAFBET-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097301.txt index 0adb51dc35a..d1cad3ae4b5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS097301 -RECORD_TITLE: 2-Hydroxy-3-(4-hydroxyphenyl)propanoate, 4-Hydroxyphenyllactate, DL-p-Hydroxyphenyllactic acid, p-Hydroxyphenyllactate, 3-(4-Hydroxyphenyl)-2-hydroxypropanoic acid, HPLA; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Hydroxy-3-(4-hydroxyphenyl)propanoate, 4-Hydroxyphenyllactate, DL-p-Hydroxyphenyllactic acid, p-Hydroxyphenyllactate, 3-(4-Hydroxyphenyl)-2-hydroxypropanoic acid, HPLA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:9378 CH$LINK: INCHIKEY JVGVDSSUAVXRDY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097307.txt index 48df44602cb..137e8a2a320 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS097307 -RECORD_TITLE: 2-Hydroxy-3-(4-hydroxyphenyl)propanoate, 4-Hydroxyphenyllactate, DL-p-Hydroxyphenyllactic acid, p-Hydroxyphenyllactate, 3-(4-Hydroxyphenyl)-2-hydroxypropanoic acid, HPLA; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Hydroxy-3-(4-hydroxyphenyl)propanoate, 4-Hydroxyphenyllactate, DL-p-Hydroxyphenyllactic acid, p-Hydroxyphenyllactate, 3-(4-Hydroxyphenyl)-2-hydroxypropanoic acid, HPLA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:9378 CH$LINK: INCHIKEY JVGVDSSUAVXRDY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097401.txt index d22c1a21046..02a4f7b960e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS097401 -RECORD_TITLE: 6-Deoxygalactose, Fuc, D-Galactomethylose, 6-Deoxy-D-galactopyranose, Rhodeose, D-Fucopyranose, D-(+)-Fucose; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-Deoxygalactose, Fuc, D-Galactomethylose, 6-Deoxy-D-galactopyranose, Rhodeose, D-Fucopyranose, D-(+)-Fucose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:19466 CH$LINK: INCHIKEY SHZGCJCMOBCMKK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097501.txt index 1cbb7c79a06..cc07e52c8e8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS097501 -RECORD_TITLE: (2R,3S)-2-Amino-3-methylpentanoic acid, allo-Ile, D-Alloisoleucine, (2R,3S)-2-Amino-3-methylvaleric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (2R,3S)-2-Amino-3-methylpentanoic acid, allo-Ile, D-Alloisoleucine, (2R,3S)-2-Amino-3-methylvaleric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:94206 CH$LINK: INCHIKEY AGPKZVBTJJNPAG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097502.txt index 5367a6e0d9e..fd8eed351e2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS097502 -RECORD_TITLE: (2R,3S)-2-Amino-3-methylpentanoic acid, allo-Ile, D-Alloisoleucine, (2R,3S)-2-Amino-3-methylvaleric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (2R,3S)-2-Amino-3-methylpentanoic acid, allo-Ile, D-Alloisoleucine, (2R,3S)-2-Amino-3-methylvaleric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:94206 CH$LINK: INCHIKEY AGPKZVBTJJNPAG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097503.txt index 31045fbd43e..c80546ef112 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS097503 -RECORD_TITLE: (2R,3S)-2-Amino-3-methylpentanoic acid, allo-Ile, D-Alloisoleucine, (2R,3S)-2-Amino-3-methylvaleric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (2R,3S)-2-Amino-3-methylpentanoic acid, allo-Ile, D-Alloisoleucine, (2R,3S)-2-Amino-3-methylvaleric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:94206 CH$LINK: INCHIKEY AGPKZVBTJJNPAG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097601.txt index a15700abb34..de13e88691f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS097601 -RECORD_TITLE: L-alpha-Aminobutyric acid, (S)-2-Aminobutyric acid, (S)-2-Aminobutanoate, L-2-Aminobutyric acid, L-2-Aminobutyrate, L-Butyrine, AABA, 2-ABU; LC-ESI-QQ; MS2 +RECORD_TITLE: L-alpha-Aminobutyric acid, (S)-2-Aminobutyric acid, (S)-2-Aminobutanoate, L-2-Aminobutyric acid, L-2-Aminobutyrate, L-Butyrine, AABA, 2-ABU; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:80283 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097602.txt index b7c09d20265..1a160f91f93 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS097602 -RECORD_TITLE: L-alpha-Aminobutyric acid, (S)-2-Aminobutyric acid, (S)-2-Aminobutanoate, L-2-Aminobutyric acid, L-2-Aminobutyrate, L-Butyrine, AABA, 2-ABU; LC-ESI-QQ; MS2 +RECORD_TITLE: L-alpha-Aminobutyric acid, (S)-2-Aminobutyric acid, (S)-2-Aminobutanoate, L-2-Aminobutyric acid, L-2-Aminobutyrate, L-Butyrine, AABA, 2-ABU; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:80283 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097603.txt index 27703136f00..5703e99ef97 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS097603 -RECORD_TITLE: L-alpha-Aminobutyric acid, (S)-2-Aminobutyric acid, (S)-2-Aminobutanoate, L-2-Aminobutyric acid, L-2-Aminobutyrate, L-Butyrine, AABA, 2-ABU; LC-ESI-QQ; MS2 +RECORD_TITLE: L-alpha-Aminobutyric acid, (S)-2-Aminobutyric acid, (S)-2-Aminobutanoate, L-2-Aminobutyric acid, L-2-Aminobutyrate, L-Butyrine, AABA, 2-ABU; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:80283 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097605.txt index 3ca6fcabe4b..1ef9db36132 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS097605 -RECORD_TITLE: L-alpha-Aminobutyric acid, (S)-2-Aminobutyric acid, (S)-2-Aminobutanoate, L-2-Aminobutyric acid, L-2-Aminobutyrate, L-Butyrine, AABA, 2-ABU; LC-ESI-QQ; MS2 +RECORD_TITLE: L-alpha-Aminobutyric acid, (S)-2-Aminobutyric acid, (S)-2-Aminobutanoate, L-2-Aminobutyric acid, L-2-Aminobutyrate, L-Butyrine, AABA, 2-ABU; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:80283 CH$LINK: INCHIKEY QWCKQJZIFLGMSD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097701.txt index baea798afc4..cfaa4d5c7dc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS097701 -RECORD_TITLE: D-2-Aminoadipate, (R)-2-Aminohexanedioic acid, D-Homoglutamic acid, D-2-Aminoadipic acid, D-Ho-Glu, D-Aad, D-alpha-Aminoadipic Acid, D-2-Aminohexanedioate; LC-ESI-QQ; MS2 +RECORD_TITLE: D-2-Aminoadipate, (R)-2-Aminohexanedioic acid, D-Homoglutamic acid, D-2-Aminoadipic acid, D-Ho-Glu, D-Aad, D-alpha-Aminoadipic Acid, D-2-Aminohexanedioate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:165627 CH$LINK: INCHIKEY OYIFNHCXNCRBQI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097702.txt index 34c5b2b4085..d3f09836a2e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS097702 -RECORD_TITLE: D-2-Aminoadipate, (R)-2-Aminohexanedioic acid, D-Homoglutamic acid, D-2-Aminoadipic acid, D-Ho-Glu, D-Aad, D-alpha-Aminoadipic Acid, D-2-Aminohexanedioate; LC-ESI-QQ; MS2 +RECORD_TITLE: D-2-Aminoadipate, (R)-2-Aminohexanedioic acid, D-Homoglutamic acid, D-2-Aminoadipic acid, D-Ho-Glu, D-Aad, D-alpha-Aminoadipic Acid, D-2-Aminohexanedioate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:165627 CH$LINK: INCHIKEY OYIFNHCXNCRBQI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097707.txt index 72af6960e63..b75d6714d37 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS097707 -RECORD_TITLE: D-2-Aminoadipate, (R)-2-Aminohexanedioic acid, D-Homoglutamic acid, D-2-Aminoadipic acid, D-Ho-Glu, D-Aad, D-alpha-Aminoadipic Acid, D-2-Aminohexanedioate; LC-ESI-QQ; MS2 +RECORD_TITLE: D-2-Aminoadipate, (R)-2-Aminohexanedioic acid, D-Homoglutamic acid, D-2-Aminoadipic acid, D-Ho-Glu, D-Aad, D-alpha-Aminoadipic Acid, D-2-Aminohexanedioate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:165627 CH$LINK: INCHIKEY OYIFNHCXNCRBQI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097801.txt index ace39be1f4b..d236041bee1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS097801 -RECORD_TITLE: L-Carnosine, beta-Ala-His, L-Ignotine, beta-Alanyl-L-histidine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Carnosine, beta-Ala-His, L-Ignotine, beta-Alanyl-L-histidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439224 CH$LINK: INCHIKEY CQOVPNPJLQNMDC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097802.txt index 88471a1ca41..bbba5551638 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS097802 -RECORD_TITLE: L-Carnosine, beta-Ala-His, L-Ignotine, beta-Alanyl-L-histidine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Carnosine, beta-Ala-His, L-Ignotine, beta-Alanyl-L-histidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439224 CH$LINK: INCHIKEY CQOVPNPJLQNMDC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097803.txt index 806890aa3f5..7f235164960 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS097803 -RECORD_TITLE: L-Carnosine, beta-Ala-His, L-Ignotine, beta-Alanyl-L-histidine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Carnosine, beta-Ala-His, L-Ignotine, beta-Alanyl-L-histidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439224 CH$LINK: INCHIKEY CQOVPNPJLQNMDC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097804.txt index 69764a99ab9..ccaf6cebecd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS097804 -RECORD_TITLE: L-Carnosine, beta-Ala-His, L-Ignotine, beta-Alanyl-L-histidine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Carnosine, beta-Ala-His, L-Ignotine, beta-Alanyl-L-histidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439224 CH$LINK: INCHIKEY CQOVPNPJLQNMDC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097805.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097805.txt index eb76c124cec..2a66d848bc4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097805.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS097805 -RECORD_TITLE: L-Carnosine, beta-Ala-His, L-Ignotine, beta-Alanyl-L-histidine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Carnosine, beta-Ala-His, L-Ignotine, beta-Alanyl-L-histidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439224 CH$LINK: INCHIKEY CQOVPNPJLQNMDC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097807.txt index 862e99e814a..048257a980b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS097807 -RECORD_TITLE: L-Carnosine, beta-Ala-His, L-Ignotine, beta-Alanyl-L-histidine; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Carnosine, beta-Ala-His, L-Ignotine, beta-Alanyl-L-histidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439224 CH$LINK: INCHIKEY CQOVPNPJLQNMDC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097907.txt index ef851b5fc56..b3f150a0fcd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS097907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS097907 -RECORD_TITLE: (2R,3S)-2,3,4-Trihydroxybutyric acid , Threonate, L-Threonic acid hemicalcium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: (2R,3S)-2,3,4-Trihydroxybutyric acid , Threonate, L-Threonic acid hemicalcium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5460407 CH$LINK: INCHIKEY JPIJQSOTBSSVTP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098001.txt index f9301d56305..8e33edd7e18 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS098001 -RECORD_TITLE: O-Phosphorylethanolamine, Ethanolamine phospha, Colaminephosphoric acid, O-Phosphoethanolamine, 2-Aminoethyl Dihydrogenphosphate, Colamine phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: O-Phosphorylethanolamine, Ethanolamine phospha, Colaminephosphoric acid, O-Phosphoethanolamine, 2-Aminoethyl Dihydrogenphosphate, Colamine phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:1015 CH$LINK: INCHIKEY SUHOOTKUPISOBE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098002.txt index 06f54b3ded9..665eb0c79b4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS098002 -RECORD_TITLE: O-Phosphorylethanolamine, Ethanolamine phospha, Colaminephosphoric acid, O-Phosphoethanolamine, 2-Aminoethyl Dihydrogenphosphate, Colamine phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: O-Phosphorylethanolamine, Ethanolamine phospha, Colaminephosphoric acid, O-Phosphoethanolamine, 2-Aminoethyl Dihydrogenphosphate, Colamine phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:1015 CH$LINK: INCHIKEY SUHOOTKUPISOBE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098003.txt index ce942eb8df2..9373ccb1c38 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS098003 -RECORD_TITLE: O-Phosphorylethanolamine, Ethanolamine phospha, Colaminephosphoric acid, O-Phosphoethanolamine, 2-Aminoethyl Dihydrogenphosphate, Colamine phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: O-Phosphorylethanolamine, Ethanolamine phospha, Colaminephosphoric acid, O-Phosphoethanolamine, 2-Aminoethyl Dihydrogenphosphate, Colamine phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:1015 CH$LINK: INCHIKEY SUHOOTKUPISOBE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098005.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098005.txt index 21761004558..d9bd9172069 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098005.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS098005 -RECORD_TITLE: O-Phosphorylethanolamine, Ethanolamine phospha, Colaminephosphoric acid, O-Phosphoethanolamine, 2-Aminoethyl Dihydrogenphosphate, Colamine phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: O-Phosphorylethanolamine, Ethanolamine phospha, Colaminephosphoric acid, O-Phosphoethanolamine, 2-Aminoethyl Dihydrogenphosphate, Colamine phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:1015 CH$LINK: INCHIKEY SUHOOTKUPISOBE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098007.txt index 8a5f3f0d887..7c612bc21cc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS098007 -RECORD_TITLE: O-Phosphorylethanolamine, Ethanolamine phospha, Colaminephosphoric acid, O-Phosphoethanolamine, 2-Aminoethyl Dihydrogenphosphate, Colamine phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: O-Phosphorylethanolamine, Ethanolamine phospha, Colaminephosphoric acid, O-Phosphoethanolamine, 2-Aminoethyl Dihydrogenphosphate, Colamine phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:1015 CH$LINK: INCHIKEY SUHOOTKUPISOBE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000408; Organic compounds; Organic acids and derivatives; Organic phosphoric acids and derivatives; Phosphate esters AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098201.txt index 2b280a14ab7..c6cb91d71ab 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS098201 -RECORD_TITLE: Pyruvic acid sodium salt, Acetylformic acid, 2-Oxopropanoic acid sodium salt, Sodium Pyruvate, alpha-Ketopropionic acid sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Pyruvic acid sodium salt, Acetylformic acid, 2-Oxopropanoic acid sodium salt, Sodium Pyruvate, alpha-Ketopropionic acid sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:1060 CH$LINK: INCHIKEY LCTONWCANYUPML-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001113; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098202.txt index 247f5e57c7f..3672041444c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS098202 -RECORD_TITLE: Pyruvic acid sodium salt, Acetylformic acid, 2-Oxopropanoic acid sodium salt, Sodium Pyruvate, alpha-Ketopropionic acid sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Pyruvic acid sodium salt, Acetylformic acid, 2-Oxopropanoic acid sodium salt, Sodium Pyruvate, alpha-Ketopropionic acid sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:1060 CH$LINK: INCHIKEY LCTONWCANYUPML-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001113; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098203.txt index 87f9fabd5f9..3ea01bcf364 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS098203 -RECORD_TITLE: Pyruvic acid sodium salt, Acetylformic acid, 2-Oxopropanoic acid sodium salt, Sodium Pyruvate, alpha-Ketopropionic acid sodium salt; LC-ESI-QQ; MS2 +RECORD_TITLE: Pyruvic acid sodium salt, Acetylformic acid, 2-Oxopropanoic acid sodium salt, Sodium Pyruvate, alpha-Ketopropionic acid sodium salt; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:1060 CH$LINK: INCHIKEY LCTONWCANYUPML-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001113; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Alpha-keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098307.txt index b0111883534..f69dee67fc5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS098307 -RECORD_TITLE: leucic acid, 2-Hydroxyisocaproic acid, alpha-hydroxyisocaproic acid , 2-Hydroxyisocaproate, 2-Hydroxy-4-methylvaleric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: leucic acid, 2-Hydroxyisocaproic acid, alpha-hydroxyisocaproic acid , 2-Hydroxyisocaproate, 2-Hydroxy-4-methylvaleric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439960 CH$LINK: INCHIKEY LVRFTAZAXQPQHI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098308.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098308.txt index 30e5899e9d4..c07a29604b4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098308.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098308.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS098308 -RECORD_TITLE: leucic acid, 2-Hydroxyisocaproic acid, alpha-hydroxyisocaproic acid , 2-Hydroxyisocaproate, 2-Hydroxy-4-methylvaleric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: leucic acid, 2-Hydroxyisocaproic acid, alpha-hydroxyisocaproic acid , 2-Hydroxyisocaproate, 2-Hydroxy-4-methylvaleric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:439960 CH$LINK: INCHIKEY LVRFTAZAXQPQHI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098601.txt index e5dac2281ad..faab3ad658b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS098601 -RECORD_TITLE: beta-Alanyl-3-methyl-L-histidine, L-Anserine nitrate salt, beta-Ala-3-Me-His; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Alanyl-3-methyl-L-histidine, L-Anserine nitrate salt, beta-Ala-3-Me-His; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:112072 CH$LINK: INCHIKEY MYYIAHXIVFADCU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098602.txt index a89b068124c..05e52592498 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS098602 -RECORD_TITLE: beta-Alanyl-3-methyl-L-histidine, L-Anserine nitrate salt, beta-Ala-3-Me-His; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Alanyl-3-methyl-L-histidine, L-Anserine nitrate salt, beta-Ala-3-Me-His; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:112072 CH$LINK: INCHIKEY MYYIAHXIVFADCU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098603.txt index df4963cdc5e..0a27361662d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS098603 -RECORD_TITLE: beta-Alanyl-3-methyl-L-histidine, L-Anserine nitrate salt, beta-Ala-3-Me-His; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Alanyl-3-methyl-L-histidine, L-Anserine nitrate salt, beta-Ala-3-Me-His; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:112072 CH$LINK: INCHIKEY MYYIAHXIVFADCU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098604.txt index e4d9bce3688..aa74a32cae7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS098604 -RECORD_TITLE: beta-Alanyl-3-methyl-L-histidine, L-Anserine nitrate salt, beta-Ala-3-Me-His; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Alanyl-3-methyl-L-histidine, L-Anserine nitrate salt, beta-Ala-3-Me-His; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:112072 CH$LINK: INCHIKEY MYYIAHXIVFADCU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098607.txt index c319cc9a1d9..b403254e7aa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS098607 -RECORD_TITLE: beta-Alanyl-3-methyl-L-histidine, L-Anserine nitrate salt, beta-Ala-3-Me-His; LC-ESI-QQ; MS2 +RECORD_TITLE: beta-Alanyl-3-methyl-L-histidine, L-Anserine nitrate salt, beta-Ala-3-Me-His; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:112072 CH$LINK: INCHIKEY MYYIAHXIVFADCU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098707.txt index 6698844a682..bb63f76b0f1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS098707 -RECORD_TITLE: alpha-Hydroxyhydrocinnamic acid, DL-3-Phenyllactic acid , beta-Phenyllactic acid, 2-Hydroxy-3-phenylpropanoic Acid, 2-Hydroxy-3-phenylpropionic acid, 3-Phenyllactate; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-Hydroxyhydrocinnamic acid, DL-3-Phenyllactic acid , beta-Phenyllactic acid, 2-Hydroxy-3-phenylpropanoic Acid, 2-Hydroxy-3-phenylpropionic acid, 3-Phenyllactate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:643327 CH$LINK: INCHIKEY VOXXWSYKYCBWHO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098708.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098708.txt index a5caa6ce973..f707f22201f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098708.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS098708 -RECORD_TITLE: alpha-Hydroxyhydrocinnamic acid, DL-3-Phenyllactic acid , beta-Phenyllactic acid, 2-Hydroxy-3-phenylpropanoic Acid, 2-Hydroxy-3-phenylpropionic acid, 3-Phenyllactate; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-Hydroxyhydrocinnamic acid, DL-3-Phenyllactic acid , beta-Phenyllactic acid, 2-Hydroxy-3-phenylpropanoic Acid, 2-Hydroxy-3-phenylpropionic acid, 3-Phenyllactate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:643327 CH$LINK: INCHIKEY VOXXWSYKYCBWHO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098801.txt index f5a633c305e..45e2e8cedfa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS098801 -RECORD_TITLE: 4-Hydroxy-3-methoxybenzeneacetic acid, HVA, Homovanillic acid , 4-hydroxy-3-methoxy-alpha-toluic acid, HMPA, 4-Hydroxy-3-methoxyphenylacetic acid, 4-Hydroxy-3-methoxybenzoic Acid, Homovanillate; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Hydroxy-3-methoxybenzeneacetic acid, HVA, Homovanillic acid , 4-hydroxy-3-methoxy-alpha-toluic acid, HMPA, 4-Hydroxy-3-methoxyphenylacetic acid, 4-Hydroxy-3-methoxybenzoic Acid, Homovanillate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:1738 CH$LINK: INCHIKEY QRMZSPFSDQBLIX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098803.txt index 6b8768d8b5f..d70fd7e6daa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS098803 -RECORD_TITLE: 4-Hydroxy-3-methoxybenzeneacetic acid, HVA, Homovanillic acid , 4-hydroxy-3-methoxy-alpha-toluic acid, HMPA, 4-Hydroxy-3-methoxyphenylacetic acid, 4-Hydroxy-3-methoxybenzoic Acid, Homovanillate; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Hydroxy-3-methoxybenzeneacetic acid, HVA, Homovanillic acid , 4-hydroxy-3-methoxy-alpha-toluic acid, HMPA, 4-Hydroxy-3-methoxyphenylacetic acid, 4-Hydroxy-3-methoxybenzoic Acid, Homovanillate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:1738 CH$LINK: INCHIKEY QRMZSPFSDQBLIX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098807.txt index 77c774a9f94..b1bb8d132ae 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS098807 -RECORD_TITLE: 4-Hydroxy-3-methoxybenzeneacetic acid, HVA, Homovanillic acid , 4-hydroxy-3-methoxy-alpha-toluic acid, HMPA, 4-Hydroxy-3-methoxyphenylacetic acid, 4-Hydroxy-3-methoxybenzoic Acid, Homovanillate; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Hydroxy-3-methoxybenzeneacetic acid, HVA, Homovanillic acid , 4-hydroxy-3-methoxy-alpha-toluic acid, HMPA, 4-Hydroxy-3-methoxyphenylacetic acid, 4-Hydroxy-3-methoxybenzoic Acid, Homovanillate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:1738 CH$LINK: INCHIKEY QRMZSPFSDQBLIX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098907.txt index 7778f597fdc..2b79c585e96 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS098907 -RECORD_TITLE: VMA, Vanilmandelic acid, Vanilinmandelic Acid, alpha,4-Dihydroxy-3-methoxybenzeneacetic acid, Vanillomandelic acid, DL-4-Hydroxy-3-methoxymandelic acid , 4-Hydroxy-3-methoxymandelate, Vanillylmandelic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: VMA, Vanilmandelic acid, Vanilinmandelic Acid, alpha,4-Dihydroxy-3-methoxybenzeneacetic acid, Vanillomandelic acid, DL-4-Hydroxy-3-methoxymandelic acid , 4-Hydroxy-3-methoxymandelate, Vanillylmandelic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:1245 CH$LINK: INCHIKEY CGQCWMIAEPEHNQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098909.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098909.txt index 0101ea3c527..cc9f2617830 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098909.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS098909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS098909 -RECORD_TITLE: VMA, Vanilmandelic acid, Vanilinmandelic Acid, alpha,4-Dihydroxy-3-methoxybenzeneacetic acid, Vanillomandelic acid, DL-4-Hydroxy-3-methoxymandelic acid , 4-Hydroxy-3-methoxymandelate, Vanillylmandelic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: VMA, Vanilmandelic acid, Vanilinmandelic Acid, alpha,4-Dihydroxy-3-methoxybenzeneacetic acid, Vanillomandelic acid, DL-4-Hydroxy-3-methoxymandelic acid , 4-Hydroxy-3-methoxymandelate, Vanillylmandelic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:1245 CH$LINK: INCHIKEY CGQCWMIAEPEHNQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099007.txt index d5f8bbc85a0..046f14b0357 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS099007 -RECORD_TITLE: alpha-Methylglutaric Acid, 2-Methylpentanedioic Acid, 2-Methylglutarate, 2-Methylglutaric Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-Methylglutaric Acid, 2-Methylpentanedioic Acid, 2-Methylglutarate, 2-Methylglutaric Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:12046 CH$LINK: INCHIKEY AQYCMVICBNBXNA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099008.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099008.txt index c0f5b9f3517..30f718b03eb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099008.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS099008 -RECORD_TITLE: alpha-Methylglutaric Acid, 2-Methylpentanedioic Acid, 2-Methylglutarate, 2-Methylglutaric Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-Methylglutaric Acid, 2-Methylpentanedioic Acid, 2-Methylglutarate, 2-Methylglutaric Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:12046 CH$LINK: INCHIKEY AQYCMVICBNBXNA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099101.txt index 7f640bb1734..3ececdbab01 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS099101 -RECORD_TITLE: Cysteine Sulfate Thioester, L-Cysteine-S-sulfate, cysteine-S-sulfonate, Cys(SO3H), S-Sulphocysteine, Cysteine-S-Sulfonic Acid, (R)-2-Amino-3-(sulfothio)propanoic Acid, S-Sulfo-L-cysteine, Cysteinyl-S-sulfonic acid, cysteinyl-S-sulfonate, S-Sulfocysteine; LC-ESI-QQ; MS2 +RECORD_TITLE: Cysteine Sulfate Thioester, L-Cysteine-S-sulfate, cysteine-S-sulfonate, Cys(SO3H), S-Sulphocysteine, Cysteine-S-Sulfonic Acid, (R)-2-Amino-3-(sulfothio)propanoic Acid, S-Sulfo-L-cysteine, Cysteinyl-S-sulfonic acid, cysteinyl-S-sulfonate, S-Sulfocysteine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:115015 CH$LINK: INCHIKEY NOKPBJYHPHHWAN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099102.txt index cddde8f5f1c..f31527c49a3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS099102 -RECORD_TITLE: Cysteine Sulfate Thioester, L-Cysteine-S-sulfate, cysteine-S-sulfonate, Cys(SO3H), S-Sulphocysteine, Cysteine-S-Sulfonic Acid, (R)-2-Amino-3-(sulfothio)propanoic Acid, S-Sulfo-L-cysteine, Cysteinyl-S-sulfonic acid, cysteinyl-S-sulfonate, S-Sulfocysteine; LC-ESI-QQ; MS2 +RECORD_TITLE: Cysteine Sulfate Thioester, L-Cysteine-S-sulfate, cysteine-S-sulfonate, Cys(SO3H), S-Sulphocysteine, Cysteine-S-Sulfonic Acid, (R)-2-Amino-3-(sulfothio)propanoic Acid, S-Sulfo-L-cysteine, Cysteinyl-S-sulfonic acid, cysteinyl-S-sulfonate, S-Sulfocysteine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:115015 CH$LINK: INCHIKEY NOKPBJYHPHHWAN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099103.txt index 98f2c6ffbb3..e59d814eeff 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS099103 -RECORD_TITLE: Cysteine Sulfate Thioester, L-Cysteine-S-sulfate, cysteine-S-sulfonate, Cys(SO3H), S-Sulphocysteine, Cysteine-S-Sulfonic Acid, (R)-2-Amino-3-(sulfothio)propanoic Acid, S-Sulfo-L-cysteine, Cysteinyl-S-sulfonic acid, cysteinyl-S-sulfonate, S-Sulfocysteine; LC-ESI-QQ; MS2 +RECORD_TITLE: Cysteine Sulfate Thioester, L-Cysteine-S-sulfate, cysteine-S-sulfonate, Cys(SO3H), S-Sulphocysteine, Cysteine-S-Sulfonic Acid, (R)-2-Amino-3-(sulfothio)propanoic Acid, S-Sulfo-L-cysteine, Cysteinyl-S-sulfonic acid, cysteinyl-S-sulfonate, S-Sulfocysteine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:115015 CH$LINK: INCHIKEY NOKPBJYHPHHWAN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099104.txt index 9a7d9a8260b..40c8d5c4036 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS099104 -RECORD_TITLE: Cysteine Sulfate Thioester, L-Cysteine-S-sulfate, cysteine-S-sulfonate, Cys(SO3H), S-Sulphocysteine, Cysteine-S-Sulfonic Acid, (R)-2-Amino-3-(sulfothio)propanoic Acid, S-Sulfo-L-cysteine, Cysteinyl-S-sulfonic acid, cysteinyl-S-sulfonate, S-Sulfocysteine; LC-ESI-QQ; MS2 +RECORD_TITLE: Cysteine Sulfate Thioester, L-Cysteine-S-sulfate, cysteine-S-sulfonate, Cys(SO3H), S-Sulphocysteine, Cysteine-S-Sulfonic Acid, (R)-2-Amino-3-(sulfothio)propanoic Acid, S-Sulfo-L-cysteine, Cysteinyl-S-sulfonic acid, cysteinyl-S-sulfonate, S-Sulfocysteine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:115015 CH$LINK: INCHIKEY NOKPBJYHPHHWAN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099105.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099105.txt index b4153985a11..4d6b44944ec 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099105.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS099105 -RECORD_TITLE: Cysteine Sulfate Thioester, L-Cysteine-S-sulfate, cysteine-S-sulfonate, Cys(SO3H), S-Sulphocysteine, Cysteine-S-Sulfonic Acid, (R)-2-Amino-3-(sulfothio)propanoic Acid, S-Sulfo-L-cysteine, Cysteinyl-S-sulfonic acid, cysteinyl-S-sulfonate, S-Sulfocysteine; LC-ESI-QQ; MS2 +RECORD_TITLE: Cysteine Sulfate Thioester, L-Cysteine-S-sulfate, cysteine-S-sulfonate, Cys(SO3H), S-Sulphocysteine, Cysteine-S-Sulfonic Acid, (R)-2-Amino-3-(sulfothio)propanoic Acid, S-Sulfo-L-cysteine, Cysteinyl-S-sulfonic acid, cysteinyl-S-sulfonate, S-Sulfocysteine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:115015 CH$LINK: INCHIKEY NOKPBJYHPHHWAN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099107.txt index 77ed52d5a95..5d5e41aad2f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS099107 -RECORD_TITLE: Cysteine Sulfate Thioester, L-Cysteine-S-sulfate, cysteine-S-sulfonate, Cys(SO3H), S-Sulphocysteine, Cysteine-S-Sulfonic Acid, (R)-2-Amino-3-(sulfothio)propanoic Acid, S-Sulfo-L-cysteine, Cysteinyl-S-sulfonic acid, cysteinyl-S-sulfonate, S-Sulfocysteine; LC-ESI-QQ; MS2 +RECORD_TITLE: Cysteine Sulfate Thioester, L-Cysteine-S-sulfate, cysteine-S-sulfonate, Cys(SO3H), S-Sulphocysteine, Cysteine-S-Sulfonic Acid, (R)-2-Amino-3-(sulfothio)propanoic Acid, S-Sulfo-L-cysteine, Cysteinyl-S-sulfonic acid, cysteinyl-S-sulfonate, S-Sulfocysteine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:115015 CH$LINK: INCHIKEY NOKPBJYHPHHWAN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099201.txt index 636e170dd18..ad50c32e618 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS099201 -RECORD_TITLE: Elixicon, Euphylong, 1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine, Teofyllamin, Theocin, Uniphyllin, Elixophylline, Liquophylline, Nuelin, Theograd, Optiphyllin, 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, Austyn, Duraphy, 2,6-Dihydroxy-1,3-dimethylpurine, Solosin, Theofol, SR, Lanophyllin, Parkophyllin, Teofilina, Theophylline,anhydrous, Armophylline, Elixophyllin, Asmax, 1,3-Dimethylxanthine, Pseudotheophylline; LC-ESI-QQ; MS2 +RECORD_TITLE: Elixicon, Euphylong, 1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine, Teofyllamin, Theocin, Uniphyllin, Elixophylline, Liquophylline, Nuelin, Theograd, Optiphyllin, 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, Austyn, Duraphy, 2,6-Dihydroxy-1,3-dimethylpurine, Solosin, Theofol, SR, Lanophyllin, Parkophyllin, Teofilina, Theophylline,anhydrous, Armophylline, Elixophyllin, Asmax, 1,3-Dimethylxanthine, Pseudotheophylline; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -50,7 +50,7 @@ CH$LINK: PUBCHEM CID:2153 CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099202.txt index 2e83d9f035f..1e65ed9301e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS099202 -RECORD_TITLE: Elixicon, Euphylong, 1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine, Teofyllamin, Theocin, Uniphyllin, Elixophylline, Liquophylline, Nuelin, Theograd, Optiphyllin, 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, Austyn, Duraphy, 2,6-Dihydroxy-1,3-dimethylpurine, Solosin, Theofol, SR, Lanophyllin, Parkophyllin, Teofilina, Theophylline,anhydrous, Armophylline, Elixophyllin, Asmax, 1,3-Dimethylxanthine, Pseudotheophylline; LC-ESI-QQ; MS2 +RECORD_TITLE: Elixicon, Euphylong, 1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine, Teofyllamin, Theocin, Uniphyllin, Elixophylline, Liquophylline, Nuelin, Theograd, Optiphyllin, 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, Austyn, Duraphy, 2,6-Dihydroxy-1,3-dimethylpurine, Solosin, Theofol, SR, Lanophyllin, Parkophyllin, Teofilina, Theophylline,anhydrous, Armophylline, Elixophyllin, Asmax, 1,3-Dimethylxanthine, Pseudotheophylline; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -50,7 +50,7 @@ CH$LINK: PUBCHEM CID:2153 CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099203.txt index 129315c36b4..a86d2fa2df1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS099203 -RECORD_TITLE: Elixicon, Euphylong, 1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine, Teofyllamin, Theocin, Uniphyllin, Elixophylline, Liquophylline, Nuelin, Theograd, Optiphyllin, 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, Austyn, Duraphy, 2,6-Dihydroxy-1,3-dimethylpurine, Solosin, Theofol, SR, Lanophyllin, Parkophyllin, Teofilina, Theophylline,anhydrous, Armophylline, Elixophyllin, Asmax, 1,3-Dimethylxanthine, Pseudotheophylline; LC-ESI-QQ; MS2 +RECORD_TITLE: Elixicon, Euphylong, 1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine, Teofyllamin, Theocin, Uniphyllin, Elixophylline, Liquophylline, Nuelin, Theograd, Optiphyllin, 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, Austyn, Duraphy, 2,6-Dihydroxy-1,3-dimethylpurine, Solosin, Theofol, SR, Lanophyllin, Parkophyllin, Teofilina, Theophylline,anhydrous, Armophylline, Elixophyllin, Asmax, 1,3-Dimethylxanthine, Pseudotheophylline; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -50,7 +50,7 @@ CH$LINK: PUBCHEM CID:2153 CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099204.txt index d57cb6cc831..bdd2f21fbf7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS099204 -RECORD_TITLE: Elixicon, Euphylong, 1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine, Teofyllamin, Theocin, Uniphyllin, Elixophylline, Liquophylline, Nuelin, Theograd, Optiphyllin, 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, Austyn, Duraphy, 2,6-Dihydroxy-1,3-dimethylpurine, Solosin, Theofol, SR, Lanophyllin, Parkophyllin, Teofilina, Theophylline,anhydrous, Armophylline, Elixophyllin, Asmax, 1,3-Dimethylxanthine, Pseudotheophylline; LC-ESI-QQ; MS2 +RECORD_TITLE: Elixicon, Euphylong, 1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine, Teofyllamin, Theocin, Uniphyllin, Elixophylline, Liquophylline, Nuelin, Theograd, Optiphyllin, 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, Austyn, Duraphy, 2,6-Dihydroxy-1,3-dimethylpurine, Solosin, Theofol, SR, Lanophyllin, Parkophyllin, Teofilina, Theophylline,anhydrous, Armophylline, Elixophyllin, Asmax, 1,3-Dimethylxanthine, Pseudotheophylline; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -50,7 +50,7 @@ CH$LINK: PUBCHEM CID:2153 CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099205.txt index bb673974a06..571104d324d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS099205 -RECORD_TITLE: Elixicon, Euphylong, 1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine, Teofyllamin, Theocin, Uniphyllin, Elixophylline, Liquophylline, Nuelin, Theograd, Optiphyllin, 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, Austyn, Duraphy, 2,6-Dihydroxy-1,3-dimethylpurine, Solosin, Theofol, SR, Lanophyllin, Parkophyllin, Teofilina, Theophylline,anhydrous, Armophylline, Elixophyllin, Asmax, 1,3-Dimethylxanthine, Pseudotheophylline; LC-ESI-QQ; MS2 +RECORD_TITLE: Elixicon, Euphylong, 1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine, Teofyllamin, Theocin, Uniphyllin, Elixophylline, Liquophylline, Nuelin, Theograd, Optiphyllin, 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, Austyn, Duraphy, 2,6-Dihydroxy-1,3-dimethylpurine, Solosin, Theofol, SR, Lanophyllin, Parkophyllin, Teofilina, Theophylline,anhydrous, Armophylline, Elixophyllin, Asmax, 1,3-Dimethylxanthine, Pseudotheophylline; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -50,7 +50,7 @@ CH$LINK: PUBCHEM CID:2153 CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099206.txt index d1267ffa79d..c24270b8d9c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS099206 -RECORD_TITLE: Elixicon, Euphylong, 1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine, Teofyllamin, Theocin, Uniphyllin, Elixophylline, Liquophylline, Nuelin, Theograd, Optiphyllin, 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, Austyn, Duraphy, 2,6-Dihydroxy-1,3-dimethylpurine, Solosin, Theofol, SR, Lanophyllin, Parkophyllin, Teofilina, Theophylline,anhydrous, Armophylline, Elixophyllin, Asmax, 1,3-Dimethylxanthine, Pseudotheophylline; LC-ESI-QQ; MS2 +RECORD_TITLE: Elixicon, Euphylong, 1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine, Teofyllamin, Theocin, Uniphyllin, Elixophylline, Liquophylline, Nuelin, Theograd, Optiphyllin, 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, Austyn, Duraphy, 2,6-Dihydroxy-1,3-dimethylpurine, Solosin, Theofol, SR, Lanophyllin, Parkophyllin, Teofilina, Theophylline,anhydrous, Armophylline, Elixophyllin, Asmax, 1,3-Dimethylxanthine, Pseudotheophylline; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -50,7 +50,7 @@ CH$LINK: PUBCHEM CID:2153 CH$LINK: INCHIKEY ZFXYFBGIUFBOJW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099301.txt index 653afd27dd9..d9e68c95474 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS099301 -RECORD_TITLE: 5,6-Dihydrouracil, Hydrouracil, 5,6-Dihydro-2,4-dihydroxypyrimidine, 2,4-Dioxotetrahydropyrimidine; LC-ESI-QQ; MS2 +RECORD_TITLE: 5,6-Dihydrouracil, Hydrouracil, 5,6-Dihydro-2,4-dihydroxypyrimidine, 2,4-Dioxotetrahydropyrimidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:649 CH$LINK: INCHIKEY OIVLITBTBDPEFK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099302.txt index c05d09ac5c1..1cc3ca79476 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS099302 -RECORD_TITLE: 5,6-Dihydrouracil, Hydrouracil, 5,6-Dihydro-2,4-dihydroxypyrimidine, 2,4-Dioxotetrahydropyrimidine; LC-ESI-QQ; MS2 +RECORD_TITLE: 5,6-Dihydrouracil, Hydrouracil, 5,6-Dihydro-2,4-dihydroxypyrimidine, 2,4-Dioxotetrahydropyrimidine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:649 CH$LINK: INCHIKEY OIVLITBTBDPEFK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000075; Organic compounds; Organoheterocyclic compounds; Diazines; Pyrimidines and pyrimidine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099501.txt index 0835e0a4ab9..c35d6430b0e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS099501 -RECORD_TITLE: 2-Hydroxyphenylacetic acid, 2-Hydroxyphenylacetate, 2-Hydroxy-2-phenylacetic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Hydroxyphenylacetic acid, 2-Hydroxyphenylacetate, 2-Hydroxy-2-phenylacetic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:11970 CH$LINK: INCHIKEY CCVYRRGZDBSHFU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000418; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099502.txt index 5d132ee823c..cdae7ac2bca 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS099502 -RECORD_TITLE: 2-Hydroxyphenylacetic acid, 2-Hydroxyphenylacetate, 2-Hydroxy-2-phenylacetic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Hydroxyphenylacetic acid, 2-Hydroxyphenylacetate, 2-Hydroxy-2-phenylacetic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:11970 CH$LINK: INCHIKEY CCVYRRGZDBSHFU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000418; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099507.txt index 91aa5c86661..aa61a726f65 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS099507 -RECORD_TITLE: 2-Hydroxyphenylacetic acid, 2-Hydroxyphenylacetate, 2-Hydroxy-2-phenylacetic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Hydroxyphenylacetic acid, 2-Hydroxyphenylacetate, 2-Hydroxy-2-phenylacetic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:11970 CH$LINK: INCHIKEY CCVYRRGZDBSHFU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000418; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099508.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099508.txt index e6b0877c0f4..ab957c988e6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099508.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS099508 -RECORD_TITLE: 2-Hydroxyphenylacetic acid, 2-Hydroxyphenylacetate, 2-Hydroxy-2-phenylacetic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Hydroxyphenylacetic acid, 2-Hydroxyphenylacetate, 2-Hydroxy-2-phenylacetic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:11970 CH$LINK: INCHIKEY CCVYRRGZDBSHFU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000418; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099509.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099509.txt index 904e5e3e93a..5f928bd4676 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099509.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099509.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS099509 -RECORD_TITLE: 2-Hydroxyphenylacetic acid, 2-Hydroxyphenylacetate, 2-Hydroxy-2-phenylacetic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Hydroxyphenylacetic acid, 2-Hydroxyphenylacetate, 2-Hydroxy-2-phenylacetic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:11970 CH$LINK: INCHIKEY CCVYRRGZDBSHFU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000418; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylacetic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099701.txt index 6f21619def7..65753a20121 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS099701 -RECORD_TITLE: NAA, Ac-Asp, N-Acetylaspartate, N-Acetyl-aspartate, N-Acetyl-DL-aspartic acid , 2-acetamidobutanedioic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: NAA, Ac-Asp, N-Acetylaspartate, N-Acetyl-aspartate, N-Acetyl-DL-aspartic acid , 2-acetamidobutanedioic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:65065 CH$LINK: INCHIKEY OTCCIMWXFLJLIA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099702.txt index fbc94ec0927..a8ee1ab32e0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS099702 -RECORD_TITLE: NAA, Ac-Asp, N-Acetylaspartate, N-Acetyl-aspartate, N-Acetyl-DL-aspartic acid , 2-acetamidobutanedioic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: NAA, Ac-Asp, N-Acetylaspartate, N-Acetyl-aspartate, N-Acetyl-DL-aspartic acid , 2-acetamidobutanedioic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:65065 CH$LINK: INCHIKEY OTCCIMWXFLJLIA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099707.txt index 41c9d147192..9050d2f0a1f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS099707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS099707 -RECORD_TITLE: NAA, Ac-Asp, N-Acetylaspartate, N-Acetyl-aspartate, N-Acetyl-DL-aspartic acid , 2-acetamidobutanedioic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: NAA, Ac-Asp, N-Acetylaspartate, N-Acetyl-aspartate, N-Acetyl-DL-aspartic acid , 2-acetamidobutanedioic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:65065 CH$LINK: INCHIKEY OTCCIMWXFLJLIA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100001.txt index 431ffdd95d0..da50c6b5bfa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100001 -RECORD_TITLE: Glycylproline, GP-OH, Glycyl-L-proline, Gly-Pro; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycylproline, GP-OH, Glycyl-L-proline, Gly-Pro; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:3013625 CH$LINK: INCHIKEY KZNQNBZMBZJQJO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100002.txt index a189e9ad98c..75445dcfcbe 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100002 -RECORD_TITLE: Glycylproline, GP-OH, Glycyl-L-proline, Gly-Pro; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycylproline, GP-OH, Glycyl-L-proline, Gly-Pro; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:3013625 CH$LINK: INCHIKEY KZNQNBZMBZJQJO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100003.txt index e2cdd1bcea7..7ceca98f7ec 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100003 -RECORD_TITLE: Glycylproline, GP-OH, Glycyl-L-proline, Gly-Pro; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycylproline, GP-OH, Glycyl-L-proline, Gly-Pro; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:3013625 CH$LINK: INCHIKEY KZNQNBZMBZJQJO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100004.txt index ff45be2f235..3fee5da274d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100004 -RECORD_TITLE: Glycylproline, GP-OH, Glycyl-L-proline, Gly-Pro; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycylproline, GP-OH, Glycyl-L-proline, Gly-Pro; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:3013625 CH$LINK: INCHIKEY KZNQNBZMBZJQJO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100005.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100005.txt index 8e646e24812..4371a208d45 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100005.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100005 -RECORD_TITLE: Glycylproline, GP-OH, Glycyl-L-proline, Gly-Pro; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycylproline, GP-OH, Glycyl-L-proline, Gly-Pro; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:3013625 CH$LINK: INCHIKEY KZNQNBZMBZJQJO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100006.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100006.txt index 35b45de944b..5d5672dc199 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100006.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100006.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100006 -RECORD_TITLE: Glycylproline, GP-OH, Glycyl-L-proline, Gly-Pro; LC-ESI-QQ; MS2 +RECORD_TITLE: Glycylproline, GP-OH, Glycyl-L-proline, Gly-Pro; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:3013625 CH$LINK: INCHIKEY KZNQNBZMBZJQJO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100201.txt index d9c19105b0c..0c27dd67827 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100201 -RECORD_TITLE: Tiglylglycine, N-Tigloylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Tiglylglycine, N-Tigloylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:6441567 CH$LINK: INCHIKEY WRUSVQOKJIDBLP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100202.txt index 6e40e79a027..8d8b7153221 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100202 -RECORD_TITLE: Tiglylglycine, N-Tigloylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Tiglylglycine, N-Tigloylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:6441567 CH$LINK: INCHIKEY WRUSVQOKJIDBLP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100203.txt index db1fc658504..a38b2295efd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100203 -RECORD_TITLE: Tiglylglycine, N-Tigloylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Tiglylglycine, N-Tigloylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:6441567 CH$LINK: INCHIKEY WRUSVQOKJIDBLP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100204.txt index 944d04e67c2..e7ed840801d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100204 -RECORD_TITLE: Tiglylglycine, N-Tigloylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Tiglylglycine, N-Tigloylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:6441567 CH$LINK: INCHIKEY WRUSVQOKJIDBLP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100205.txt index 0b871bcef5f..5169e14dd93 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100205 -RECORD_TITLE: Tiglylglycine, N-Tigloylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Tiglylglycine, N-Tigloylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:6441567 CH$LINK: INCHIKEY WRUSVQOKJIDBLP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100307.txt index 04e5c0133ec..7f8b1c1a0f1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100307 -RECORD_TITLE: (R)-2-Hydroxy-3-methylbutyric acid, VAD, (R)-2-Hydroxy-3-methylbutanoic acid, D-alpha-Hydroxyisovalerate, D-alpha-Hydroxyisovaleric acid ; LC-ESI-QQ; MS2 +RECORD_TITLE: (R)-2-Hydroxy-3-methylbutyric acid, VAD, (R)-2-Hydroxy-3-methylbutanoic acid, D-alpha-Hydroxyisovalerate, D-alpha-Hydroxyisovaleric acid ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:5289545 CH$LINK: INCHIKEY NGEWQZIDQIYUNV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100401.txt index b2eba01149c..e72d987d21e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100401 -RECORD_TITLE: Ribovel, Ribosyn, Ribotone, Beflavine, Riboflavinequinone, Flavaxin, Vitamin B2, Vitaflavine, Hyflavin, Lactoflavin, 6,7-Dimethyl-9-D-ribitylisoalloxazine, 7,8-Dimethyl-10-ribitylisoalloxazine, Lactobene, Ribipca, Riboderm, Vitamin G, Flaxain, Ovoflavin, (-)-Riboflavin; LC-ESI-QQ; MS2 +RECORD_TITLE: Ribovel, Ribosyn, Ribotone, Beflavine, Riboflavinequinone, Flavaxin, Vitamin B2, Vitaflavine, Hyflavin, Lactoflavin, 6,7-Dimethyl-9-D-ribitylisoalloxazine, 7,8-Dimethyl-10-ribitylisoalloxazine, Lactobene, Ribipca, Riboderm, Vitamin G, Flaxain, Ovoflavin, (-)-Riboflavin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -42,7 +42,7 @@ CH$LINK: PUBCHEM CID:493570 CH$LINK: INCHIKEY AUNGANRZJHBGPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000384; Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Alloxazines and isoalloxazines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100402.txt index 49b59e815aa..14343b580c9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100402 -RECORD_TITLE: Ribovel, Ribosyn, Ribotone, Beflavine, Riboflavinequinone, Flavaxin, Vitamin B2, Vitaflavine, Hyflavin, Lactoflavin, 6,7-Dimethyl-9-D-ribitylisoalloxazine, 7,8-Dimethyl-10-ribitylisoalloxazine, Lactobene, Ribipca, Riboderm, Vitamin G, Flaxain, Ovoflavin, (-)-Riboflavin; LC-ESI-QQ; MS2 +RECORD_TITLE: Ribovel, Ribosyn, Ribotone, Beflavine, Riboflavinequinone, Flavaxin, Vitamin B2, Vitaflavine, Hyflavin, Lactoflavin, 6,7-Dimethyl-9-D-ribitylisoalloxazine, 7,8-Dimethyl-10-ribitylisoalloxazine, Lactobene, Ribipca, Riboderm, Vitamin G, Flaxain, Ovoflavin, (-)-Riboflavin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -42,7 +42,7 @@ CH$LINK: PUBCHEM CID:493570 CH$LINK: INCHIKEY AUNGANRZJHBGPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000384; Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Alloxazines and isoalloxazines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100403.txt index 4f6e352770c..dce53f12314 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100403 -RECORD_TITLE: Ribovel, Ribosyn, Ribotone, Beflavine, Riboflavinequinone, Flavaxin, Vitamin B2, Vitaflavine, Hyflavin, Lactoflavin, 6,7-Dimethyl-9-D-ribitylisoalloxazine, 7,8-Dimethyl-10-ribitylisoalloxazine, Lactobene, Ribipca, Riboderm, Vitamin G, Flaxain, Ovoflavin, (-)-Riboflavin; LC-ESI-QQ; MS2 +RECORD_TITLE: Ribovel, Ribosyn, Ribotone, Beflavine, Riboflavinequinone, Flavaxin, Vitamin B2, Vitaflavine, Hyflavin, Lactoflavin, 6,7-Dimethyl-9-D-ribitylisoalloxazine, 7,8-Dimethyl-10-ribitylisoalloxazine, Lactobene, Ribipca, Riboderm, Vitamin G, Flaxain, Ovoflavin, (-)-Riboflavin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -42,7 +42,7 @@ CH$LINK: PUBCHEM CID:493570 CH$LINK: INCHIKEY AUNGANRZJHBGPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000384; Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Alloxazines and isoalloxazines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100404.txt index a0871183327..a4616acf1f9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100404 -RECORD_TITLE: Ribovel, Ribosyn, Ribotone, Beflavine, Riboflavinequinone, Flavaxin, Vitamin B2, Vitaflavine, Hyflavin, Lactoflavin, 6,7-Dimethyl-9-D-ribitylisoalloxazine, 7,8-Dimethyl-10-ribitylisoalloxazine, Lactobene, Ribipca, Riboderm, Vitamin G, Flaxain, Ovoflavin, (-)-Riboflavin; LC-ESI-QQ; MS2 +RECORD_TITLE: Ribovel, Ribosyn, Ribotone, Beflavine, Riboflavinequinone, Flavaxin, Vitamin B2, Vitaflavine, Hyflavin, Lactoflavin, 6,7-Dimethyl-9-D-ribitylisoalloxazine, 7,8-Dimethyl-10-ribitylisoalloxazine, Lactobene, Ribipca, Riboderm, Vitamin G, Flaxain, Ovoflavin, (-)-Riboflavin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -42,7 +42,7 @@ CH$LINK: PUBCHEM CID:493570 CH$LINK: INCHIKEY AUNGANRZJHBGPY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000384; Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Alloxazines and isoalloxazines AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100507.txt index c24647da7ed..4847af4c6c0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100507 -RECORD_TITLE: DL-2-Hydroxyvaleric acid sodium salt hydrate, 2-hydroxy-pentanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-2-Hydroxyvaleric acid sodium salt hydrate, 2-hydroxy-pentanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:98009 CH$LINK: INCHIKEY JRHWHSJDIILJAT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100601.txt index 52f42b7e66d..42e8538aa68 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100601 -RECORD_TITLE: D-Pantothenic acid hemicalcium salt, D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Pantothenic acid hemicalcium salt, D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6613 CH$LINK: INCHIKEY GHOKWGTUZJEAQD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100602.txt index c9973a66cb9..1738f1f15d0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100602 -RECORD_TITLE: D-Pantothenic acid hemicalcium salt, D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Pantothenic acid hemicalcium salt, D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6613 CH$LINK: INCHIKEY GHOKWGTUZJEAQD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100603.txt index f74ce94681d..e3665685899 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100603 -RECORD_TITLE: D-Pantothenic acid hemicalcium salt, D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Pantothenic acid hemicalcium salt, D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6613 CH$LINK: INCHIKEY GHOKWGTUZJEAQD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100607.txt index 1356dd16c77..27b3c512744 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100607 -RECORD_TITLE: D-Pantothenic acid hemicalcium salt, D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Pantothenic acid hemicalcium salt, D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6613 CH$LINK: INCHIKEY GHOKWGTUZJEAQD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100608.txt index 056953e5b7a..09c3ecd8df6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100608 -RECORD_TITLE: D-Pantothenic acid hemicalcium salt, D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Pantothenic acid hemicalcium salt, D-Pantothenic Acid, (R)-Pantothenate, (R)-(+)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine, Vitamin B5; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6613 CH$LINK: INCHIKEY GHOKWGTUZJEAQD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100901.txt index 0f4cffa9078..595e0908d2f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100901 -RECORD_TITLE: Vitamin PP, Pelonin amide, Endobion, Vitamin B3, Amnicotin, 3-Pyridinecarboxamide, Nicotinic acid amide, Nicobion, Nicotinamide, Amide PP, Delonin amide, Benicot, Pyridine-3-carboxylic acid amide, Niacinamide, NAM; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin PP, Pelonin amide, Endobion, Vitamin B3, Amnicotin, 3-Pyridinecarboxamide, Nicotinic acid amide, Nicobion, Nicotinamide, Amide PP, Delonin amide, Benicot, Pyridine-3-carboxylic acid amide, Niacinamide, NAM; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -38,7 +38,7 @@ CH$LINK: PUBCHEM CID:936 CH$LINK: INCHIKEY DFPAKSUCGFBDDF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100902.txt index a87d41e8001..e5dc08d6f4d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100902 -RECORD_TITLE: Vitamin PP, Pelonin amide, Endobion, Vitamin B3, Amnicotin, 3-Pyridinecarboxamide, Nicotinic acid amide, Nicobion, Nicotinamide, Amide PP, Delonin amide, Benicot, Pyridine-3-carboxylic acid amide, Niacinamide, NAM; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin PP, Pelonin amide, Endobion, Vitamin B3, Amnicotin, 3-Pyridinecarboxamide, Nicotinic acid amide, Nicobion, Nicotinamide, Amide PP, Delonin amide, Benicot, Pyridine-3-carboxylic acid amide, Niacinamide, NAM; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -38,7 +38,7 @@ CH$LINK: PUBCHEM CID:936 CH$LINK: INCHIKEY DFPAKSUCGFBDDF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100903.txt index b5c731d29c4..0e57c308673 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100903 -RECORD_TITLE: Vitamin PP, Pelonin amide, Endobion, Vitamin B3, Amnicotin, 3-Pyridinecarboxamide, Nicotinic acid amide, Nicobion, Nicotinamide, Amide PP, Delonin amide, Benicot, Pyridine-3-carboxylic acid amide, Niacinamide, NAM; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin PP, Pelonin amide, Endobion, Vitamin B3, Amnicotin, 3-Pyridinecarboxamide, Nicotinic acid amide, Nicobion, Nicotinamide, Amide PP, Delonin amide, Benicot, Pyridine-3-carboxylic acid amide, Niacinamide, NAM; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -38,7 +38,7 @@ CH$LINK: PUBCHEM CID:936 CH$LINK: INCHIKEY DFPAKSUCGFBDDF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100904.txt index a4e6ea2ae23..a729b13a3a6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100904 -RECORD_TITLE: Vitamin PP, Pelonin amide, Endobion, Vitamin B3, Amnicotin, 3-Pyridinecarboxamide, Nicotinic acid amide, Nicobion, Nicotinamide, Amide PP, Delonin amide, Benicot, Pyridine-3-carboxylic acid amide, Niacinamide, NAM; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin PP, Pelonin amide, Endobion, Vitamin B3, Amnicotin, 3-Pyridinecarboxamide, Nicotinic acid amide, Nicobion, Nicotinamide, Amide PP, Delonin amide, Benicot, Pyridine-3-carboxylic acid amide, Niacinamide, NAM; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -38,7 +38,7 @@ CH$LINK: PUBCHEM CID:936 CH$LINK: INCHIKEY DFPAKSUCGFBDDF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100905.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100905.txt index 223d1a6b1aa..45df1fb4a0a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100905.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS100905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS100905 -RECORD_TITLE: Vitamin PP, Pelonin amide, Endobion, Vitamin B3, Amnicotin, 3-Pyridinecarboxamide, Nicotinic acid amide, Nicobion, Nicotinamide, Amide PP, Delonin amide, Benicot, Pyridine-3-carboxylic acid amide, Niacinamide, NAM; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin PP, Pelonin amide, Endobion, Vitamin B3, Amnicotin, 3-Pyridinecarboxamide, Nicotinic acid amide, Nicobion, Nicotinamide, Amide PP, Delonin amide, Benicot, Pyridine-3-carboxylic acid amide, Niacinamide, NAM; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -38,7 +38,7 @@ CH$LINK: PUBCHEM CID:936 CH$LINK: INCHIKEY DFPAKSUCGFBDDF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101001.txt index 9b3d7983fd0..e451583daf8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS101001 -RECORD_TITLE: Alloxanthine, Ossipurinolo, Oxypurinol, DHPP, Oxoallopurinol, Oxipurinol; LC-ESI-QQ; MS2 +RECORD_TITLE: Alloxanthine, Ossipurinolo, Oxypurinol, DHPP, Oxoallopurinol, Oxipurinol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: KEGG C07599 CH$LINK: PUBCHEM CID:135398752 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101002.txt index 73b3abe8abb..ee2221138a8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS101002 -RECORD_TITLE: Alloxanthine, Ossipurinolo, Oxypurinol, DHPP, Oxoallopurinol, Oxipurinol; LC-ESI-QQ; MS2 +RECORD_TITLE: Alloxanthine, Ossipurinolo, Oxypurinol, DHPP, Oxoallopurinol, Oxipurinol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: KEGG C07599 CH$LINK: PUBCHEM CID:135398752 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101007.txt index 369053c1172..b67b966b60c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS101007 -RECORD_TITLE: Alloxanthine, Ossipurinolo, Oxypurinol, DHPP, Oxoallopurinol, Oxipurinol; LC-ESI-QQ; MS2 +RECORD_TITLE: Alloxanthine, Ossipurinolo, Oxypurinol, DHPP, Oxoallopurinol, Oxipurinol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: KEGG C07599 CH$LINK: PUBCHEM CID:135398752 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101008.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101008.txt index f4897362cc3..ad52456c53b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101008.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS101008 -RECORD_TITLE: Alloxanthine, Ossipurinolo, Oxypurinol, DHPP, Oxoallopurinol, Oxipurinol; LC-ESI-QQ; MS2 +RECORD_TITLE: Alloxanthine, Ossipurinolo, Oxypurinol, DHPP, Oxoallopurinol, Oxipurinol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: KEGG C07599 CH$LINK: PUBCHEM CID:135398752 CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101107.txt index fb0f4a8ee7d..216a89f51e3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS101107 -RECORD_TITLE: trans-Aconitate, trans-Aconitic acid, Citridic Acid, trans-1,2,3-Propenetricarboxylic acid, (E)-2-Carboxyglutaconic Acid, trans-Propene-1,2,3-tricarboxylic acid, Achilleic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-Aconitate, trans-Aconitic acid, Citridic Acid, trans-1,2,3-Propenetricarboxylic acid, (E)-2-Carboxyglutaconic Acid, trans-Propene-1,2,3-tricarboxylic acid, Achilleic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:444212 CH$LINK: INCHIKEY GTZCVFVGUGFEME-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101108.txt index 62d23c84b6d..3e3dc2618f0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS101108 -RECORD_TITLE: trans-Aconitate, trans-Aconitic acid, Citridic Acid, trans-1,2,3-Propenetricarboxylic acid, (E)-2-Carboxyglutaconic Acid, trans-Propene-1,2,3-tricarboxylic acid, Achilleic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-Aconitate, trans-Aconitic acid, Citridic Acid, trans-1,2,3-Propenetricarboxylic acid, (E)-2-Carboxyglutaconic Acid, trans-Propene-1,2,3-tricarboxylic acid, Achilleic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:444212 CH$LINK: INCHIKEY GTZCVFVGUGFEME-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001986; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Tricarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101201.txt index 816f4abdb92..a2dd0e49495 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS101201 -RECORD_TITLE: 3-Hydroxy-3-methyl Butyric Acid, 3-hydroxy-3-methylbutanoic acid, 3-Hydroxyisovalerate, beta-hydroxy-beta-methylbutyrate, beta-Hydroxyisovaleric Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Hydroxy-3-methyl Butyric Acid, 3-hydroxy-3-methylbutanoic acid, 3-Hydroxyisovalerate, beta-hydroxy-beta-methylbutyrate, beta-Hydroxyisovaleric Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:69362 CH$LINK: INCHIKEY AXFYFNCPONWUHW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101202.txt index 13869bb7451..6976401ca96 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS101202 -RECORD_TITLE: 3-Hydroxy-3-methyl Butyric Acid, 3-hydroxy-3-methylbutanoic acid, 3-Hydroxyisovalerate, beta-hydroxy-beta-methylbutyrate, beta-Hydroxyisovaleric Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Hydroxy-3-methyl Butyric Acid, 3-hydroxy-3-methylbutanoic acid, 3-Hydroxyisovalerate, beta-hydroxy-beta-methylbutyrate, beta-Hydroxyisovaleric Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:69362 CH$LINK: INCHIKEY AXFYFNCPONWUHW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101203.txt index 27ab85da33d..f741752a2cb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS101203 -RECORD_TITLE: 3-Hydroxy-3-methyl Butyric Acid, 3-hydroxy-3-methylbutanoic acid, 3-Hydroxyisovalerate, beta-hydroxy-beta-methylbutyrate, beta-Hydroxyisovaleric Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Hydroxy-3-methyl Butyric Acid, 3-hydroxy-3-methylbutanoic acid, 3-Hydroxyisovalerate, beta-hydroxy-beta-methylbutyrate, beta-Hydroxyisovaleric Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:69362 CH$LINK: INCHIKEY AXFYFNCPONWUHW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101207.txt index 2cc10b4c4ec..8185f5bad02 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS101207 -RECORD_TITLE: 3-Hydroxy-3-methyl Butyric Acid, 3-hydroxy-3-methylbutanoic acid, 3-Hydroxyisovalerate, beta-hydroxy-beta-methylbutyrate, beta-Hydroxyisovaleric Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Hydroxy-3-methyl Butyric Acid, 3-hydroxy-3-methylbutanoic acid, 3-Hydroxyisovalerate, beta-hydroxy-beta-methylbutyrate, beta-Hydroxyisovaleric Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:69362 CH$LINK: INCHIKEY AXFYFNCPONWUHW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101301.txt index dba6dcbbb87..30a814b41c7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS101301 -RECORD_TITLE: Galactitol, Melampyrin, 1,2,3,4,5,6-Hexanehexol, Melampyrum, Dulcitol, Melampyrite, Dulcite, Dulcin, Galactit, Dulcose, Euonymit; LC-ESI-QQ; MS2 +RECORD_TITLE: Galactitol, Melampyrin, 1,2,3,4,5,6-Hexanehexol, Melampyrum, Dulcitol, Melampyrite, Dulcite, Dulcin, Galactit, Dulcose, Euonymit; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:11850 CH$LINK: INCHIKEY FBPFZTCFMRRESA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101307.txt index 1a16b2026dc..a68c70c8177 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS101307 -RECORD_TITLE: Galactitol, Melampyrin, 1,2,3,4,5,6-Hexanehexol, Melampyrum, Dulcitol, Melampyrite, Dulcite, Dulcin, Galactit, Dulcose, Euonymit; LC-ESI-QQ; MS2 +RECORD_TITLE: Galactitol, Melampyrin, 1,2,3,4,5,6-Hexanehexol, Melampyrum, Dulcitol, Melampyrite, Dulcite, Dulcin, Galactit, Dulcose, Euonymit; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:11850 CH$LINK: INCHIKEY FBPFZTCFMRRESA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101401.txt index 2c25108b01d..fa9f4551e2c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS101401 -RECORD_TITLE: 2-(3-methylbutanoylamino)acetic acid, N-Isovaleroylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-(3-methylbutanoylamino)acetic acid, N-Isovaleroylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:546304 CH$LINK: INCHIKEY ZRQXMKMBBMNNQC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101402.txt index 086c9d425de..32f705c5c99 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS101402 -RECORD_TITLE: 2-(3-methylbutanoylamino)acetic acid, N-Isovaleroylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-(3-methylbutanoylamino)acetic acid, N-Isovaleroylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:546304 CH$LINK: INCHIKEY ZRQXMKMBBMNNQC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101403.txt index b452149e18a..ad77c67a16f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS101403 -RECORD_TITLE: 2-(3-methylbutanoylamino)acetic acid, N-Isovaleroylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-(3-methylbutanoylamino)acetic acid, N-Isovaleroylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:546304 CH$LINK: INCHIKEY ZRQXMKMBBMNNQC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101404.txt index d3b753199e7..4adc50a57ea 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS101404 -RECORD_TITLE: 2-(3-methylbutanoylamino)acetic acid, N-Isovaleroylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-(3-methylbutanoylamino)acetic acid, N-Isovaleroylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:546304 CH$LINK: INCHIKEY ZRQXMKMBBMNNQC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101407.txt index d84fecef4ee..9e33c488590 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS101407 -RECORD_TITLE: 2-(3-methylbutanoylamino)acetic acid, N-Isovaleroylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-(3-methylbutanoylamino)acetic acid, N-Isovaleroylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:546304 CH$LINK: INCHIKEY ZRQXMKMBBMNNQC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101408.txt index 252e0d34c0d..4e0f78e8265 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS101408 -RECORD_TITLE: 2-(3-methylbutanoylamino)acetic acid, N-Isovaleroylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-(3-methylbutanoylamino)acetic acid, N-Isovaleroylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:546304 CH$LINK: INCHIKEY ZRQXMKMBBMNNQC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101801.txt index a8980e06393..ded73e6b07b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS101801 -RECORD_TITLE: Propionylformic acid, 3-Methylpyruvic acid, Sodium 2-Oxobutyrate, alpha-ketobutyrate, 2-Oxobutanoic acid, 2-Oxobutyric Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Propionylformic acid, 3-Methylpyruvic acid, Sodium 2-Oxobutyrate, alpha-ketobutyrate, 2-Oxobutanoic acid, 2-Oxobutyric Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:58 CH$LINK: INCHIKEY TYEYBOSBBBHJIV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101807.txt index acae7f22385..6f950282785 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS101807 -RECORD_TITLE: Propionylformic acid, 3-Methylpyruvic acid, Sodium 2-Oxobutyrate, alpha-ketobutyrate, 2-Oxobutanoic acid, 2-Oxobutyric Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Propionylformic acid, 3-Methylpyruvic acid, Sodium 2-Oxobutyrate, alpha-ketobutyrate, 2-Oxobutanoic acid, 2-Oxobutyric Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:58 CH$LINK: INCHIKEY TYEYBOSBBBHJIV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101902.txt index 0bfecd2dc05..1d22340c6ad 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS101902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS101902 -RECORD_TITLE: Entericin, 2-Acetoxybenzoic acid, Acetosalic acid, Rhonal, Acetonyl, Salicylic acid acetate, Acetophen, Acenterine, Endydol, Colfarit, Caprin, O-Acetylsalicylic acid, Empirin, Acetisal, Neuronika, Novid, Salacetin, Acetylsalicylic acid, ASA, Saletin, Acylpyrin, Asteric, Polopiryna, Acetylin, Acetylsalicylate, Aceticyl, Delgesic, Helicon, Globoid, Kapsazal, Salcetogen, Acetosal, 2-Acetoxybenzenecarboxylic acid, Medisyl, Acetol, Enterosarine, Ecotrin, Acetylsal, Idragin, Aspirdrops, Measurin, Solpyron, Aspirin, Micristin, Angettes, Benaspir; LC-ESI-QQ; MS2 +RECORD_TITLE: Entericin, 2-Acetoxybenzoic acid, Acetosalic acid, Rhonal, Acetonyl, Salicylic acid acetate, Acetophen, Acenterine, Endydol, Colfarit, Caprin, O-Acetylsalicylic acid, Empirin, Acetisal, Neuronika, Novid, Salacetin, Acetylsalicylic acid, ASA, Saletin, Acylpyrin, Asteric, Polopiryna, Acetylin, Acetylsalicylate, Aceticyl, Delgesic, Helicon, Globoid, Kapsazal, Salcetogen, Acetosal, 2-Acetoxybenzenecarboxylic acid, Medisyl, Acetol, Enterosarine, Ecotrin, Acetylsal, Idragin, Aspirdrops, Measurin, Solpyron, Aspirin, Micristin, Angettes, Benaspir; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -69,7 +69,7 @@ CH$LINK: PUBCHEM CID:2244 CH$LINK: INCHIKEY BSYNRYMUTXBXSQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102001.txt index 881cd5b7404..09e420b1428 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102001 -RECORD_TITLE: Kynurenate, Kynurenic acid, 4-Hydroxyquinaldic acid, 4-Hydroxyquinoline-2-carboxylic acid, Kynurensaeure, 4-Hydroxyquinaldinic acid, Quinurenic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Kynurenate, Kynurenic acid, 4-Hydroxyquinaldic acid, 4-Hydroxyquinoline-2-carboxylic acid, Kynurensaeure, 4-Hydroxyquinaldinic acid, Quinurenic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:3845 CH$LINK: INCHIKEY HCZHHEIFKROPDY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002552; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102002.txt index 69eba59dac8..913471bf132 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102002 -RECORD_TITLE: Kynurenate, Kynurenic acid, 4-Hydroxyquinaldic acid, 4-Hydroxyquinoline-2-carboxylic acid, Kynurensaeure, 4-Hydroxyquinaldinic acid, Quinurenic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Kynurenate, Kynurenic acid, 4-Hydroxyquinaldic acid, 4-Hydroxyquinoline-2-carboxylic acid, Kynurensaeure, 4-Hydroxyquinaldinic acid, Quinurenic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:3845 CH$LINK: INCHIKEY HCZHHEIFKROPDY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002552; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102003.txt index ccc0b951f7e..4586dc0270d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102003 -RECORD_TITLE: Kynurenate, Kynurenic acid, 4-Hydroxyquinaldic acid, 4-Hydroxyquinoline-2-carboxylic acid, Kynurensaeure, 4-Hydroxyquinaldinic acid, Quinurenic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Kynurenate, Kynurenic acid, 4-Hydroxyquinaldic acid, 4-Hydroxyquinoline-2-carboxylic acid, Kynurensaeure, 4-Hydroxyquinaldinic acid, Quinurenic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:3845 CH$LINK: INCHIKEY HCZHHEIFKROPDY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002552; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102004.txt index 8dab911a72b..7f5a8d450a6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102004 -RECORD_TITLE: Kynurenate, Kynurenic acid, 4-Hydroxyquinaldic acid, 4-Hydroxyquinoline-2-carboxylic acid, Kynurensaeure, 4-Hydroxyquinaldinic acid, Quinurenic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Kynurenate, Kynurenic acid, 4-Hydroxyquinaldic acid, 4-Hydroxyquinoline-2-carboxylic acid, Kynurensaeure, 4-Hydroxyquinaldinic acid, Quinurenic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:3845 CH$LINK: INCHIKEY HCZHHEIFKROPDY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002552; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102005.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102005.txt index 3b08a0b8163..28e756d13f2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102005.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102005 -RECORD_TITLE: Kynurenate, Kynurenic acid, 4-Hydroxyquinaldic acid, 4-Hydroxyquinoline-2-carboxylic acid, Kynurensaeure, 4-Hydroxyquinaldinic acid, Quinurenic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Kynurenate, Kynurenic acid, 4-Hydroxyquinaldic acid, 4-Hydroxyquinoline-2-carboxylic acid, Kynurensaeure, 4-Hydroxyquinaldinic acid, Quinurenic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:3845 CH$LINK: INCHIKEY HCZHHEIFKROPDY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002552; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102006.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102006.txt index ae52516df9d..bbba7fb2d05 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102006.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102006.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102006 -RECORD_TITLE: Kynurenate, Kynurenic acid, 4-Hydroxyquinaldic acid, 4-Hydroxyquinoline-2-carboxylic acid, Kynurensaeure, 4-Hydroxyquinaldinic acid, Quinurenic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Kynurenate, Kynurenic acid, 4-Hydroxyquinaldic acid, 4-Hydroxyquinoline-2-carboxylic acid, Kynurensaeure, 4-Hydroxyquinaldinic acid, Quinurenic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:3845 CH$LINK: INCHIKEY HCZHHEIFKROPDY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002552; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102101.txt index 8665649010c..31cb40f8800 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102101 -RECORD_TITLE: 2-Oxopentanoate, 2-Oxovalerate, 2-Oxopentanoic acid, alpha-Ketovaleric acid, 2-Oxovaleric acid ; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Oxopentanoate, 2-Oxovalerate, 2-Oxopentanoic acid, alpha-Ketovaleric acid, 2-Oxovaleric acid ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:74563 CH$LINK: INCHIKEY KDVFRMMRZOCFLS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102107.txt index f30d11f48ee..4f3121d26ed 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102107 -RECORD_TITLE: 2-Oxopentanoate, 2-Oxovalerate, 2-Oxopentanoic acid, alpha-Ketovaleric acid, 2-Oxovaleric acid ; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Oxopentanoate, 2-Oxovalerate, 2-Oxopentanoic acid, alpha-Ketovaleric acid, 2-Oxovaleric acid ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:74563 CH$LINK: INCHIKEY KDVFRMMRZOCFLS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001416; Organic compounds; Organic acids and derivatives; Keto acids and derivatives; Short-chain keto acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102301.txt index e54eb5c23bb..8bf49329cb7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102301 -RECORD_TITLE: p-Hydroxyacetanilide, Paracetamol, Abensanil, Valgesic, Dymadon, NAPA, Napafen, Tabalgin, Calpol, Alvedon, Panadol, Acamol, Pyrinazine, Acetaminofen, N-Acetyl-4-aminophenol, Algotropyl, Naprinol, Anaflon, Acetalgin, Amadil, Apamide, 4-Acetamidophenol, Tralgon, Cetadol, Clixodyne, 4'-Hydroxyacetanilide, Tussapap, APAP, Paraacetamol, Anelix, Tylenol, Acetaminophen, Datril, Panets; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Hydroxyacetanilide, Paracetamol, Abensanil, Valgesic, Dymadon, NAPA, Napafen, Tabalgin, Calpol, Alvedon, Panadol, Acamol, Pyrinazine, Acetaminofen, N-Acetyl-4-aminophenol, Algotropyl, Naprinol, Anaflon, Acetalgin, Amadil, Apamide, 4-Acetamidophenol, Tralgon, Cetadol, Clixodyne, 4'-Hydroxyacetanilide, Tussapap, APAP, Paraacetamol, Anelix, Tylenol, Acetaminophen, Datril, Panets; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -57,7 +57,7 @@ CH$LINK: PUBCHEM CID:1983 CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102302.txt index efdb4225866..239e032e50e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102302 -RECORD_TITLE: p-Hydroxyacetanilide, Paracetamol, Abensanil, Valgesic, Dymadon, NAPA, Napafen, Tabalgin, Calpol, Alvedon, Panadol, Acamol, Pyrinazine, Acetaminofen, N-Acetyl-4-aminophenol, Algotropyl, Naprinol, Anaflon, Acetalgin, Amadil, Apamide, 4-Acetamidophenol, Tralgon, Cetadol, Clixodyne, 4'-Hydroxyacetanilide, Tussapap, APAP, Paraacetamol, Anelix, Tylenol, Acetaminophen, Datril, Panets; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Hydroxyacetanilide, Paracetamol, Abensanil, Valgesic, Dymadon, NAPA, Napafen, Tabalgin, Calpol, Alvedon, Panadol, Acamol, Pyrinazine, Acetaminofen, N-Acetyl-4-aminophenol, Algotropyl, Naprinol, Anaflon, Acetalgin, Amadil, Apamide, 4-Acetamidophenol, Tralgon, Cetadol, Clixodyne, 4'-Hydroxyacetanilide, Tussapap, APAP, Paraacetamol, Anelix, Tylenol, Acetaminophen, Datril, Panets; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -57,7 +57,7 @@ CH$LINK: PUBCHEM CID:1983 CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102303.txt index 6a889921f3a..af53d306684 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102303 -RECORD_TITLE: p-Hydroxyacetanilide, Paracetamol, Abensanil, Valgesic, Dymadon, NAPA, Napafen, Tabalgin, Calpol, Alvedon, Panadol, Acamol, Pyrinazine, Acetaminofen, N-Acetyl-4-aminophenol, Algotropyl, Naprinol, Anaflon, Acetalgin, Amadil, Apamide, 4-Acetamidophenol, Tralgon, Cetadol, Clixodyne, 4'-Hydroxyacetanilide, Tussapap, APAP, Paraacetamol, Anelix, Tylenol, Acetaminophen, Datril, Panets; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Hydroxyacetanilide, Paracetamol, Abensanil, Valgesic, Dymadon, NAPA, Napafen, Tabalgin, Calpol, Alvedon, Panadol, Acamol, Pyrinazine, Acetaminofen, N-Acetyl-4-aminophenol, Algotropyl, Naprinol, Anaflon, Acetalgin, Amadil, Apamide, 4-Acetamidophenol, Tralgon, Cetadol, Clixodyne, 4'-Hydroxyacetanilide, Tussapap, APAP, Paraacetamol, Anelix, Tylenol, Acetaminophen, Datril, Panets; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -57,7 +57,7 @@ CH$LINK: PUBCHEM CID:1983 CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004646; Organic compounds; Benzenoids; Phenols; 1-hydroxy-2-unsubstituted benzenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102501.txt index 1919b06a2d1..c51ceb29f8d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102501 -RECORD_TITLE: Guanidineacetic acid, N-Guanylglycine, Guanidinoacetate, Betacyamine, Glykocyamin, Glycocyamine, Guanidoacetate, N-Amidinoglycine, Betasyamine; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanidineacetic acid, N-Guanylglycine, Guanidinoacetate, Betacyamine, Glykocyamin, Glycocyamine, Guanidoacetate, N-Amidinoglycine, Betasyamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:763 CH$LINK: INCHIKEY BPMFZUMJYQTVII-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102502.txt index 8f439d749f9..61befb46e65 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102502 -RECORD_TITLE: Guanidineacetic acid, N-Guanylglycine, Guanidinoacetate, Betacyamine, Glykocyamin, Glycocyamine, Guanidoacetate, N-Amidinoglycine, Betasyamine; LC-ESI-QQ; MS2 +RECORD_TITLE: Guanidineacetic acid, N-Guanylglycine, Guanidinoacetate, Betacyamine, Glykocyamin, Glycocyamine, Guanidoacetate, N-Amidinoglycine, Betasyamine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:763 CH$LINK: INCHIKEY BPMFZUMJYQTVII-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102601.txt index b28de977428..679b1e6e754 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102601 -RECORD_TITLE: N-Methylnicotinate, Trigenolline, Trigenelline, Trigonelline hydrochloride, N-Methylnicotinic acid betaine, Gynesine, 1-Methylpyridinium-3-carboxylate, Coffearine, Betaine nicotinate, Caffearin; LC-ESI-QQ; MS2 +RECORD_TITLE: N-Methylnicotinate, Trigenolline, Trigenelline, Trigonelline hydrochloride, N-Methylnicotinic acid betaine, Gynesine, 1-Methylpyridinium-3-carboxylate, Coffearine, Betaine nicotinate, Caffearin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5570 CH$LINK: INCHIKEY WWNNZCOKKKDOPX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000279; Organic compounds; Alkaloids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102602.txt index ee6a3196840..772fd69d42c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102602 -RECORD_TITLE: N-Methylnicotinate, Trigenolline, Trigenelline, Trigonelline hydrochloride, N-Methylnicotinic acid betaine, Gynesine, 1-Methylpyridinium-3-carboxylate, Coffearine, Betaine nicotinate, Caffearin; LC-ESI-QQ; MS2 +RECORD_TITLE: N-Methylnicotinate, Trigenolline, Trigenelline, Trigonelline hydrochloride, N-Methylnicotinic acid betaine, Gynesine, 1-Methylpyridinium-3-carboxylate, Coffearine, Betaine nicotinate, Caffearin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5570 CH$LINK: INCHIKEY WWNNZCOKKKDOPX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000279; Organic compounds; Alkaloids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102603.txt index d494e084703..04bd728f8ec 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102603 -RECORD_TITLE: N-Methylnicotinate, Trigenolline, Trigenelline, Trigonelline hydrochloride, N-Methylnicotinic acid betaine, Gynesine, 1-Methylpyridinium-3-carboxylate, Coffearine, Betaine nicotinate, Caffearin; LC-ESI-QQ; MS2 +RECORD_TITLE: N-Methylnicotinate, Trigenolline, Trigenelline, Trigonelline hydrochloride, N-Methylnicotinic acid betaine, Gynesine, 1-Methylpyridinium-3-carboxylate, Coffearine, Betaine nicotinate, Caffearin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5570 CH$LINK: INCHIKEY WWNNZCOKKKDOPX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000279; Organic compounds; Alkaloids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102801.txt index 911f97f02c2..05c166954f2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102801 -RECORD_TITLE: Phenylacetylglycine, Phenyl-Ac-Gly, Phenaceturic acid, Phenylacetoamidoacetic Acid, N-Phenacetylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Phenylacetylglycine, Phenyl-Ac-Gly, Phenaceturic acid, Phenylacetoamidoacetic Acid, N-Phenacetylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:68144 CH$LINK: INCHIKEY UTYVDVLMYQPLQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102802.txt index 1f8c65389e5..e94f65c70f7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102802 -RECORD_TITLE: Phenylacetylglycine, Phenyl-Ac-Gly, Phenaceturic acid, Phenylacetoamidoacetic Acid, N-Phenacetylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Phenylacetylglycine, Phenyl-Ac-Gly, Phenaceturic acid, Phenylacetoamidoacetic Acid, N-Phenacetylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:68144 CH$LINK: INCHIKEY UTYVDVLMYQPLQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102803.txt index d1656da9d5b..00b2c4f668a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102803 -RECORD_TITLE: Phenylacetylglycine, Phenyl-Ac-Gly, Phenaceturic acid, Phenylacetoamidoacetic Acid, N-Phenacetylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Phenylacetylglycine, Phenyl-Ac-Gly, Phenaceturic acid, Phenylacetoamidoacetic Acid, N-Phenacetylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:68144 CH$LINK: INCHIKEY UTYVDVLMYQPLQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102804.txt index 003756a5770..60e4373c294 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102804 -RECORD_TITLE: Phenylacetylglycine, Phenyl-Ac-Gly, Phenaceturic acid, Phenylacetoamidoacetic Acid, N-Phenacetylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Phenylacetylglycine, Phenyl-Ac-Gly, Phenaceturic acid, Phenylacetoamidoacetic Acid, N-Phenacetylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:68144 CH$LINK: INCHIKEY UTYVDVLMYQPLQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102805.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102805.txt index c6a296735ba..c7a7a5609f8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102805.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102805 -RECORD_TITLE: Phenylacetylglycine, Phenyl-Ac-Gly, Phenaceturic acid, Phenylacetoamidoacetic Acid, N-Phenacetylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Phenylacetylglycine, Phenyl-Ac-Gly, Phenaceturic acid, Phenylacetoamidoacetic Acid, N-Phenacetylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:68144 CH$LINK: INCHIKEY UTYVDVLMYQPLQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102806.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102806.txt index c850824f467..cd219fce9c4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102806.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102806.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102806 -RECORD_TITLE: Phenylacetylglycine, Phenyl-Ac-Gly, Phenaceturic acid, Phenylacetoamidoacetic Acid, N-Phenacetylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Phenylacetylglycine, Phenyl-Ac-Gly, Phenaceturic acid, Phenylacetoamidoacetic Acid, N-Phenacetylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:68144 CH$LINK: INCHIKEY UTYVDVLMYQPLQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102807.txt index c9c3747d567..711d7cc9e0b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102807 -RECORD_TITLE: Phenylacetylglycine, Phenyl-Ac-Gly, Phenaceturic acid, Phenylacetoamidoacetic Acid, N-Phenacetylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Phenylacetylglycine, Phenyl-Ac-Gly, Phenaceturic acid, Phenylacetoamidoacetic Acid, N-Phenacetylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:68144 CH$LINK: INCHIKEY UTYVDVLMYQPLQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102808.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102808.txt index 40d0be5d762..16842fd1e65 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102808.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102808 -RECORD_TITLE: Phenylacetylglycine, Phenyl-Ac-Gly, Phenaceturic acid, Phenylacetoamidoacetic Acid, N-Phenacetylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Phenylacetylglycine, Phenyl-Ac-Gly, Phenaceturic acid, Phenylacetoamidoacetic Acid, N-Phenacetylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:68144 CH$LINK: INCHIKEY UTYVDVLMYQPLQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102809.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102809.txt index 45724c525f6..bfcd333d913 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102809.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102809.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102809 -RECORD_TITLE: Phenylacetylglycine, Phenyl-Ac-Gly, Phenaceturic acid, Phenylacetoamidoacetic Acid, N-Phenacetylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Phenylacetylglycine, Phenyl-Ac-Gly, Phenaceturic acid, Phenylacetoamidoacetic Acid, N-Phenacetylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:68144 CH$LINK: INCHIKEY UTYVDVLMYQPLQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102810.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102810.txt index 188cc576e56..90fee4c32b8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102810.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102810.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102810 -RECORD_TITLE: Phenylacetylglycine, Phenyl-Ac-Gly, Phenaceturic acid, Phenylacetoamidoacetic Acid, N-Phenacetylglycine; LC-ESI-QQ; MS2 +RECORD_TITLE: Phenylacetylglycine, Phenyl-Ac-Gly, Phenaceturic acid, Phenylacetoamidoacetic Acid, N-Phenacetylglycine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:68144 CH$LINK: INCHIKEY UTYVDVLMYQPLQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102901.txt index d04ee7b18d1..9e0fac08e01 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102901 -RECORD_TITLE: 1,3-Dimethylurate, Oxytheophylline, 1,3-Dimethyl-2,6,8-trihydroxypurine, 1,3-Dimethyluric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,3-Dimethylurate, Oxytheophylline, 1,3-Dimethyl-2,6,8-trihydroxypurine, 1,3-Dimethyluric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:70346 CH$LINK: INCHIKEY OTSBKHHWSQYEHK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102902.txt index 079d50b79d9..29f4bbb2727 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102902 -RECORD_TITLE: 1,3-Dimethylurate, Oxytheophylline, 1,3-Dimethyl-2,6,8-trihydroxypurine, 1,3-Dimethyluric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,3-Dimethylurate, Oxytheophylline, 1,3-Dimethyl-2,6,8-trihydroxypurine, 1,3-Dimethyluric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:70346 CH$LINK: INCHIKEY OTSBKHHWSQYEHK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102904.txt index 0070fe3d849..630b2dce170 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102904 -RECORD_TITLE: 1,3-Dimethylurate, Oxytheophylline, 1,3-Dimethyl-2,6,8-trihydroxypurine, 1,3-Dimethyluric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,3-Dimethylurate, Oxytheophylline, 1,3-Dimethyl-2,6,8-trihydroxypurine, 1,3-Dimethyluric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:70346 CH$LINK: INCHIKEY OTSBKHHWSQYEHK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102905.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102905.txt index dbac5f70a2e..59e0f13e4e3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102905.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102905 -RECORD_TITLE: 1,3-Dimethylurate, Oxytheophylline, 1,3-Dimethyl-2,6,8-trihydroxypurine, 1,3-Dimethyluric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,3-Dimethylurate, Oxytheophylline, 1,3-Dimethyl-2,6,8-trihydroxypurine, 1,3-Dimethyluric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:70346 CH$LINK: INCHIKEY OTSBKHHWSQYEHK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102906.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102906.txt index 4c70598648b..1dcf30cb921 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102906.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102906.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102906 -RECORD_TITLE: 1,3-Dimethylurate, Oxytheophylline, 1,3-Dimethyl-2,6,8-trihydroxypurine, 1,3-Dimethyluric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,3-Dimethylurate, Oxytheophylline, 1,3-Dimethyl-2,6,8-trihydroxypurine, 1,3-Dimethyluric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:70346 CH$LINK: INCHIKEY OTSBKHHWSQYEHK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102907.txt index b5613b2eab7..eda26ae7de2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102907 -RECORD_TITLE: 1,3-Dimethylurate, Oxytheophylline, 1,3-Dimethyl-2,6,8-trihydroxypurine, 1,3-Dimethyluric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,3-Dimethylurate, Oxytheophylline, 1,3-Dimethyl-2,6,8-trihydroxypurine, 1,3-Dimethyluric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:70346 CH$LINK: INCHIKEY OTSBKHHWSQYEHK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102908.txt index af7d0cb35ba..d18126b567f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS102908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS102908 -RECORD_TITLE: 1,3-Dimethylurate, Oxytheophylline, 1,3-Dimethyl-2,6,8-trihydroxypurine, 1,3-Dimethyluric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,3-Dimethylurate, Oxytheophylline, 1,3-Dimethyl-2,6,8-trihydroxypurine, 1,3-Dimethyluric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:70346 CH$LINK: INCHIKEY OTSBKHHWSQYEHK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103001.txt index c7d9370d692..c9cd2db4ed9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS103001 -RECORD_TITLE: 1,7-Dimethyl-1H-purine-2,6-dione, Paraxanthine, 2,6-Dihydroxy-1,7-dimethylpurine, 1,7-Dimethylxanthine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,7-Dimethyl-1H-purine-2,6-dione, Paraxanthine, 2,6-Dihydroxy-1,7-dimethylpurine, 1,7-Dimethylxanthine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:4687 CH$LINK: INCHIKEY QUNWUDVFRNGTCO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103002.txt index 0f9accf3290..5f79947ac36 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS103002 -RECORD_TITLE: 1,7-Dimethyl-1H-purine-2,6-dione, Paraxanthine, 2,6-Dihydroxy-1,7-dimethylpurine, 1,7-Dimethylxanthine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,7-Dimethyl-1H-purine-2,6-dione, Paraxanthine, 2,6-Dihydroxy-1,7-dimethylpurine, 1,7-Dimethylxanthine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:4687 CH$LINK: INCHIKEY QUNWUDVFRNGTCO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103003.txt index c02214964d6..d650ca4449e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS103003 -RECORD_TITLE: 1,7-Dimethyl-1H-purine-2,6-dione, Paraxanthine, 2,6-Dihydroxy-1,7-dimethylpurine, 1,7-Dimethylxanthine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,7-Dimethyl-1H-purine-2,6-dione, Paraxanthine, 2,6-Dihydroxy-1,7-dimethylpurine, 1,7-Dimethylxanthine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:4687 CH$LINK: INCHIKEY QUNWUDVFRNGTCO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103004.txt index 04ca78f5d04..fe5f4cdc866 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS103004 -RECORD_TITLE: 1,7-Dimethyl-1H-purine-2,6-dione, Paraxanthine, 2,6-Dihydroxy-1,7-dimethylpurine, 1,7-Dimethylxanthine; LC-ESI-QQ; MS2 +RECORD_TITLE: 1,7-Dimethyl-1H-purine-2,6-dione, Paraxanthine, 2,6-Dihydroxy-1,7-dimethylpurine, 1,7-Dimethylxanthine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:4687 CH$LINK: INCHIKEY QUNWUDVFRNGTCO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103101.txt index d50632fb313..b5f9c83bdd3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS103101 -RECORD_TITLE: 3-Methylxanthine, 2,6-Dihydroxy-3-methylpurine, 3-MX, 3,7-dihydro-3-methyl-1H-purine-2,6-dione; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Methylxanthine, 2,6-Dihydroxy-3-methylpurine, 3-MX, 3,7-dihydro-3-methyl-1H-purine-2,6-dione; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:70639 CH$LINK: INCHIKEY GMSNIKWWOQHZGF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103102.txt index e36cc0783ad..b4d4fcdac5b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS103102 -RECORD_TITLE: 3-Methylxanthine, 2,6-Dihydroxy-3-methylpurine, 3-MX, 3,7-dihydro-3-methyl-1H-purine-2,6-dione; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Methylxanthine, 2,6-Dihydroxy-3-methylpurine, 3-MX, 3,7-dihydro-3-methyl-1H-purine-2,6-dione; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:70639 CH$LINK: INCHIKEY GMSNIKWWOQHZGF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103103.txt index 4b02c546ac1..dbcc1398deb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS103103 -RECORD_TITLE: 3-Methylxanthine, 2,6-Dihydroxy-3-methylpurine, 3-MX, 3,7-dihydro-3-methyl-1H-purine-2,6-dione; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Methylxanthine, 2,6-Dihydroxy-3-methylpurine, 3-MX, 3,7-dihydro-3-methyl-1H-purine-2,6-dione; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:70639 CH$LINK: INCHIKEY GMSNIKWWOQHZGF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103105.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103105.txt index 2daad559daa..1b48db5e779 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103105.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS103105 -RECORD_TITLE: 3-Methylxanthine, 2,6-Dihydroxy-3-methylpurine, 3-MX, 3,7-dihydro-3-methyl-1H-purine-2,6-dione; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Methylxanthine, 2,6-Dihydroxy-3-methylpurine, 3-MX, 3,7-dihydro-3-methyl-1H-purine-2,6-dione; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:70639 CH$LINK: INCHIKEY GMSNIKWWOQHZGF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103201.txt index 55e28a37e2a..b77dd6c5a3c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS103201 -RECORD_TITLE: p-Aminohippuric acid, N-(4-Aminobenzoyl)glycine, PAH, N-(p-Aminobenzoyl)aminoacetic Acid, 4-Aminohippurate, Nefrotest; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Aminohippuric acid, N-(4-Aminobenzoyl)glycine, PAH, N-(p-Aminobenzoyl)aminoacetic Acid, 4-Aminohippurate, Nefrotest; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:2148 CH$LINK: INCHIKEY HSMNQINEKMPTIC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103202.txt index 8ec0ee72f0a..744cc921909 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS103202 -RECORD_TITLE: p-Aminohippuric acid, N-(4-Aminobenzoyl)glycine, PAH, N-(p-Aminobenzoyl)aminoacetic Acid, 4-Aminohippurate, Nefrotest; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Aminohippuric acid, N-(4-Aminobenzoyl)glycine, PAH, N-(p-Aminobenzoyl)aminoacetic Acid, 4-Aminohippurate, Nefrotest; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:2148 CH$LINK: INCHIKEY HSMNQINEKMPTIC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103203.txt index 48fe40f6968..edd792ad51c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS103203 -RECORD_TITLE: p-Aminohippuric acid, N-(4-Aminobenzoyl)glycine, PAH, N-(p-Aminobenzoyl)aminoacetic Acid, 4-Aminohippurate, Nefrotest; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Aminohippuric acid, N-(4-Aminobenzoyl)glycine, PAH, N-(p-Aminobenzoyl)aminoacetic Acid, 4-Aminohippurate, Nefrotest; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:2148 CH$LINK: INCHIKEY HSMNQINEKMPTIC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103204.txt index 320702814fb..9060a4145db 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS103204 -RECORD_TITLE: p-Aminohippuric acid, N-(4-Aminobenzoyl)glycine, PAH, N-(p-Aminobenzoyl)aminoacetic Acid, 4-Aminohippurate, Nefrotest; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Aminohippuric acid, N-(4-Aminobenzoyl)glycine, PAH, N-(p-Aminobenzoyl)aminoacetic Acid, 4-Aminohippurate, Nefrotest; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:2148 CH$LINK: INCHIKEY HSMNQINEKMPTIC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103301.txt index 516b8117bff..aea29cc372b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS103301 -RECORD_TITLE: ethylmethylketone, methyl ethyl ketone, MeSH, Methylethylketone, Butan-2-one, Oxobutane, Ethyl Methyl Ketone, Methyl acetone, MEK, Meetco, EMK, 2-Butanone; LC-ESI-QQ; MS2 +RECORD_TITLE: ethylmethylketone, methyl ethyl ketone, MeSH, Methylethylketone, Butan-2-one, Oxobutane, Ethyl Methyl Ketone, Methyl acetone, MEK, Meetco, EMK, 2-Butanone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:6569 CH$LINK: INCHIKEY ZWEHNKRNPOVVGH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103407.txt index a9ab4711634..caec160ceed 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS103407 -RECORD_TITLE: alpha,3,4-Trihydroxyphenylacetic Acid, DL-3,4-Dihydroxymandelic acid , 3,4-Dihydroxyphenylglycolic acid, 3,4-Dihydroxymandelate; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha,3,4-Trihydroxyphenylacetic Acid, DL-3,4-Dihydroxymandelic acid , 3,4-Dihydroxyphenylglycolic acid, 3,4-Dihydroxymandelate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:85782 CH$LINK: INCHIKEY RGHMISIYKIHAJW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001286; Organic compounds; Benzenoids; Phenols; Benzenediols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103507.txt index 69d2247296b..8788aff9ad8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS103507 -RECORD_TITLE: 3-Hydroxymandelic acid , 3-Hydroxyphenylglycolic acid, 3-Hydroxymandelate, m-Hydroxymandelic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Hydroxymandelic acid , 3-Hydroxyphenylglycolic acid, 3-Hydroxymandelate, m-Hydroxymandelic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:86957 CH$LINK: INCHIKEY OLSDAJRAVOVKLG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004647; Organic compounds; Benzenoids; Phenols; 1-hydroxy-4-unsubstituted benzenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103509.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103509.txt index b2ef2dd30b3..6eef59f9e4b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103509.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103509.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS103509 -RECORD_TITLE: 3-Hydroxymandelic acid , 3-Hydroxyphenylglycolic acid, 3-Hydroxymandelate, m-Hydroxymandelic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Hydroxymandelic acid , 3-Hydroxyphenylglycolic acid, 3-Hydroxymandelate, m-Hydroxymandelic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:86957 CH$LINK: INCHIKEY OLSDAJRAVOVKLG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004647; Organic compounds; Benzenoids; Phenols; 1-hydroxy-4-unsubstituted benzenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103601.txt index f5262304ea4..c3868ecfdb3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS103601 -RECORD_TITLE: Uromaline, DL-mandelate, DL-alpha-Hydroxyphenylacetic acid, Paramandelic acid, DL-mandelic acid, DL-alpha-Hydroxybenzeneacetic acid, Phenylglycollic acid, Almond acid, Amygdalinic acid, DL-alpha-Oxybenzeneacetic acid, alpha-Hydroxy-alpha-toluic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Uromaline, DL-mandelate, DL-alpha-Hydroxyphenylacetic acid, Paramandelic acid, DL-mandelic acid, DL-alpha-Hydroxybenzeneacetic acid, Phenylglycollic acid, Almond acid, Amygdalinic acid, DL-alpha-Oxybenzeneacetic acid, alpha-Hydroxy-alpha-toluic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:1292 CH$LINK: INCHIKEY IWYDHOAUDWTVEP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103603.txt index 9d9409114ca..e92db2340e4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS103603 -RECORD_TITLE: Uromaline, DL-mandelate, DL-alpha-Hydroxyphenylacetic acid, Paramandelic acid, DL-mandelic acid, DL-alpha-Hydroxybenzeneacetic acid, Phenylglycollic acid, Almond acid, Amygdalinic acid, DL-alpha-Oxybenzeneacetic acid, alpha-Hydroxy-alpha-toluic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Uromaline, DL-mandelate, DL-alpha-Hydroxyphenylacetic acid, Paramandelic acid, DL-mandelic acid, DL-alpha-Hydroxybenzeneacetic acid, Phenylglycollic acid, Almond acid, Amygdalinic acid, DL-alpha-Oxybenzeneacetic acid, alpha-Hydroxy-alpha-toluic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:1292 CH$LINK: INCHIKEY IWYDHOAUDWTVEP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103607.txt index 39abc1e6b6b..1754111c112 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS103607 -RECORD_TITLE: Uromaline, DL-mandelate, DL-alpha-Hydroxyphenylacetic acid, Paramandelic acid, DL-mandelic acid, DL-alpha-Hydroxybenzeneacetic acid, Phenylglycollic acid, Almond acid, Amygdalinic acid, DL-alpha-Oxybenzeneacetic acid, alpha-Hydroxy-alpha-toluic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Uromaline, DL-mandelate, DL-alpha-Hydroxyphenylacetic acid, Paramandelic acid, DL-mandelic acid, DL-alpha-Hydroxybenzeneacetic acid, Phenylglycollic acid, Almond acid, Amygdalinic acid, DL-alpha-Oxybenzeneacetic acid, alpha-Hydroxy-alpha-toluic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:1292 CH$LINK: INCHIKEY IWYDHOAUDWTVEP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103701.txt index df0e64b8eea..ed71b537d7f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS103701 -RECORD_TITLE: (R)-2-Hydroxy-2-phenylacetate, (R)-2-Hydroxy-2-phenylacetic acid, D-2-Phenylglycolic acid, (R)-(-)-mandelic acid, (R)-Mandelate, D-(-)-Amygdalic Acid, D(-)-Mandelic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (R)-2-Hydroxy-2-phenylacetate, (R)-2-Hydroxy-2-phenylacetic acid, D-2-Phenylglycolic acid, (R)-(-)-mandelic acid, (R)-Mandelate, D-(-)-Amygdalic Acid, D(-)-Mandelic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:11914 CH$LINK: INCHIKEY IWYDHOAUDWTVEP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103702.txt index 35eaeaad1e1..fa70ab656a9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS103702 -RECORD_TITLE: (R)-2-Hydroxy-2-phenylacetate, (R)-2-Hydroxy-2-phenylacetic acid, D-2-Phenylglycolic acid, (R)-(-)-mandelic acid, (R)-Mandelate, D-(-)-Amygdalic Acid, D(-)-Mandelic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (R)-2-Hydroxy-2-phenylacetate, (R)-2-Hydroxy-2-phenylacetic acid, D-2-Phenylglycolic acid, (R)-(-)-mandelic acid, (R)-Mandelate, D-(-)-Amygdalic Acid, D(-)-Mandelic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:11914 CH$LINK: INCHIKEY IWYDHOAUDWTVEP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103703.txt index 93455abaf19..e8fad1d2e8d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS103703 -RECORD_TITLE: (R)-2-Hydroxy-2-phenylacetate, (R)-2-Hydroxy-2-phenylacetic acid, D-2-Phenylglycolic acid, (R)-(-)-mandelic acid, (R)-Mandelate, D-(-)-Amygdalic Acid, D(-)-Mandelic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (R)-2-Hydroxy-2-phenylacetate, (R)-2-Hydroxy-2-phenylacetic acid, D-2-Phenylglycolic acid, (R)-(-)-mandelic acid, (R)-Mandelate, D-(-)-Amygdalic Acid, D(-)-Mandelic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:11914 CH$LINK: INCHIKEY IWYDHOAUDWTVEP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103707.txt index 07e71024cd6..274e2376a48 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS103707 -RECORD_TITLE: (R)-2-Hydroxy-2-phenylacetate, (R)-2-Hydroxy-2-phenylacetic acid, D-2-Phenylglycolic acid, (R)-(-)-mandelic acid, (R)-Mandelate, D-(-)-Amygdalic Acid, D(-)-Mandelic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: (R)-2-Hydroxy-2-phenylacetate, (R)-2-Hydroxy-2-phenylacetic acid, D-2-Phenylglycolic acid, (R)-(-)-mandelic acid, (R)-Mandelate, D-(-)-Amygdalic Acid, D(-)-Mandelic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:11914 CH$LINK: INCHIKEY IWYDHOAUDWTVEP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103901.txt index edc7ffc56a8..06250e905a1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS103901 -RECORD_TITLE: Ferulic acid, 4-Hydroxy-3-methoxycinnamic acid, trans-ferulate, 3-Methoxy-4-hydroxy-trans-cinnamate; LC-ESI-QQ; MS2 +RECORD_TITLE: Ferulic acid, 4-Hydroxy-3-methoxycinnamic acid, trans-ferulate, 3-Methoxy-4-hydroxy-trans-cinnamate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:445858 CH$LINK: INCHIKEY KSEBMYQBYZTDHS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103902.txt index 888bd5fc294..990b90cc192 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS103902 -RECORD_TITLE: Ferulic acid, 4-Hydroxy-3-methoxycinnamic acid, trans-ferulate, 3-Methoxy-4-hydroxy-trans-cinnamate; LC-ESI-QQ; MS2 +RECORD_TITLE: Ferulic acid, 4-Hydroxy-3-methoxycinnamic acid, trans-ferulate, 3-Methoxy-4-hydroxy-trans-cinnamate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:445858 CH$LINK: INCHIKEY KSEBMYQBYZTDHS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103907.txt index 700d3f109a5..d3c533cdc5e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS103907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS103907 -RECORD_TITLE: Ferulic acid, 4-Hydroxy-3-methoxycinnamic acid, trans-ferulate, 3-Methoxy-4-hydroxy-trans-cinnamate; LC-ESI-QQ; MS2 +RECORD_TITLE: Ferulic acid, 4-Hydroxy-3-methoxycinnamic acid, trans-ferulate, 3-Methoxy-4-hydroxy-trans-cinnamate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:445858 CH$LINK: INCHIKEY KSEBMYQBYZTDHS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104007.txt index a26c75bb4cb..d0f9f0bd514 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS104007 -RECORD_TITLE: 4-Hydroxybenzoate, 4-Hydroxybenzoic acid, Hydroxybenzenecarboxylic acid, p-Hydroxybenzoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Hydroxybenzoate, 4-Hydroxybenzoic acid, Hydroxybenzenecarboxylic acid, p-Hydroxybenzoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:135 CH$LINK: INCHIKEY FJKROLUGYXJWQN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104008.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104008.txt index 36599f4cc29..c17cdb908b5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104008.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS104008 -RECORD_TITLE: 4-Hydroxybenzoate, 4-Hydroxybenzoic acid, Hydroxybenzenecarboxylic acid, p-Hydroxybenzoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Hydroxybenzoate, 4-Hydroxybenzoic acid, Hydroxybenzenecarboxylic acid, p-Hydroxybenzoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:135 CH$LINK: INCHIKEY FJKROLUGYXJWQN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104101.txt index e067587f827..be7aab3d078 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS104101 -RECORD_TITLE: 4-Pyridoxylic acid, 2-Methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine, 4-Pyridoxinsaeure, 4-PA, 4-Pyridoxic acid, 4-Pyridoxinic acid, 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid , 4-Pyridoxate, 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Pyridoxylic acid, 2-Methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine, 4-Pyridoxinsaeure, 4-PA, 4-Pyridoxic acid, 4-Pyridoxinic acid, 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid , 4-Pyridoxate, 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:6723 CH$LINK: INCHIKEY HXACOUQIXZGNBF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104102.txt index a8aa60b94fd..959795e255a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS104102 -RECORD_TITLE: 4-Pyridoxylic acid, 2-Methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine, 4-Pyridoxinsaeure, 4-PA, 4-Pyridoxic acid, 4-Pyridoxinic acid, 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid , 4-Pyridoxate, 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Pyridoxylic acid, 2-Methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine, 4-Pyridoxinsaeure, 4-PA, 4-Pyridoxic acid, 4-Pyridoxinic acid, 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid , 4-Pyridoxate, 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:6723 CH$LINK: INCHIKEY HXACOUQIXZGNBF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104103.txt index 63d535d93b2..1cb65b63259 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS104103 -RECORD_TITLE: 4-Pyridoxylic acid, 2-Methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine, 4-Pyridoxinsaeure, 4-PA, 4-Pyridoxic acid, 4-Pyridoxinic acid, 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid , 4-Pyridoxate, 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Pyridoxylic acid, 2-Methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine, 4-Pyridoxinsaeure, 4-PA, 4-Pyridoxic acid, 4-Pyridoxinic acid, 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid , 4-Pyridoxate, 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:6723 CH$LINK: INCHIKEY HXACOUQIXZGNBF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104104.txt index 6513203081c..1f8fbb6271f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS104104 -RECORD_TITLE: 4-Pyridoxylic acid, 2-Methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine, 4-Pyridoxinsaeure, 4-PA, 4-Pyridoxic acid, 4-Pyridoxinic acid, 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid , 4-Pyridoxate, 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Pyridoxylic acid, 2-Methyl-3-hydroxy-4-carboxy-5-hydroxymethylpyridine, 4-Pyridoxinsaeure, 4-PA, 4-Pyridoxic acid, 4-Pyridoxinic acid, 3-Hydroxy-5-(hydroxymethyl)-2-methylisonicotinic acid , 4-Pyridoxate, 3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinecarboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:6723 CH$LINK: INCHIKEY HXACOUQIXZGNBF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001322; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Pyridinecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104207.txt index f989797e283..175c3304d83 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS104207 -RECORD_TITLE: 5-Methoxysalicylic acid, 5-Methoxysalicylate, 5-O-Methylgentisic Acid, 6-Hydroxy-3-anisic Acid, 2-Hydroxy-5-methoxybenzoic acid, 5-Methoxy-2-hydroxybenzoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5-Methoxysalicylic acid, 5-Methoxysalicylate, 5-O-Methylgentisic Acid, 6-Hydroxy-3-anisic Acid, 2-Hydroxy-5-methoxybenzoic acid, 5-Methoxy-2-hydroxybenzoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:75787 CH$LINK: INCHIKEY IZZIWIAOVZOBLF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104208.txt index c28e57284dc..cb0701b556b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS104208 -RECORD_TITLE: 5-Methoxysalicylic acid, 5-Methoxysalicylate, 5-O-Methylgentisic Acid, 6-Hydroxy-3-anisic Acid, 2-Hydroxy-5-methoxybenzoic acid, 5-Methoxy-2-hydroxybenzoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5-Methoxysalicylic acid, 5-Methoxysalicylate, 5-O-Methylgentisic Acid, 6-Hydroxy-3-anisic Acid, 2-Hydroxy-5-methoxybenzoic acid, 5-Methoxy-2-hydroxybenzoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:75787 CH$LINK: INCHIKEY IZZIWIAOVZOBLF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104209.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104209.txt index 76374ec6f6c..9ecbae92a30 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104209.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS104209 -RECORD_TITLE: 5-Methoxysalicylic acid, 5-Methoxysalicylate, 5-O-Methylgentisic Acid, 6-Hydroxy-3-anisic Acid, 2-Hydroxy-5-methoxybenzoic acid, 5-Methoxy-2-hydroxybenzoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5-Methoxysalicylic acid, 5-Methoxysalicylate, 5-O-Methylgentisic Acid, 6-Hydroxy-3-anisic Acid, 2-Hydroxy-5-methoxybenzoic acid, 5-Methoxy-2-hydroxybenzoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:75787 CH$LINK: INCHIKEY IZZIWIAOVZOBLF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104210.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104210.txt index 95f75941dcf..c37826dea8a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104210.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104210.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS104210 -RECORD_TITLE: 5-Methoxysalicylic acid, 5-Methoxysalicylate, 5-O-Methylgentisic Acid, 6-Hydroxy-3-anisic Acid, 2-Hydroxy-5-methoxybenzoic acid, 5-Methoxy-2-hydroxybenzoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 5-Methoxysalicylic acid, 5-Methoxysalicylate, 5-O-Methylgentisic Acid, 6-Hydroxy-3-anisic Acid, 2-Hydroxy-5-methoxybenzoic acid, 5-Methoxy-2-hydroxybenzoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:75787 CH$LINK: INCHIKEY IZZIWIAOVZOBLF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104301.txt index 7a7c1ce78b8..8358cb36c79 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS104301 -RECORD_TITLE: Ethylmalonate, Ethylmalonic acid ; LC-ESI-QQ; MS2 +RECORD_TITLE: Ethylmalonate, Ethylmalonic acid ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:11756 CH$LINK: INCHIKEY UKFXDFUAPNAMPJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104307.txt index 2e7cb7c4095..2fc9560b04f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS104307 -RECORD_TITLE: Ethylmalonate, Ethylmalonic acid ; LC-ESI-QQ; MS2 +RECORD_TITLE: Ethylmalonate, Ethylmalonic acid ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:11756 CH$LINK: INCHIKEY UKFXDFUAPNAMPJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104308.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104308.txt index b59bf07cd61..c2354fa350f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104308.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104308.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS104308 -RECORD_TITLE: Ethylmalonate, Ethylmalonic acid ; LC-ESI-QQ; MS2 +RECORD_TITLE: Ethylmalonate, Ethylmalonic acid ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:11756 CH$LINK: INCHIKEY UKFXDFUAPNAMPJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000262; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Fatty acids and conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104401.txt index ff48220682e..e42745b0082 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS104401 -RECORD_TITLE: Saccharolactic acid, mucic acid, Tetrahydroxyhexanedioic acid, Galactarate, Tetrahydroxyadipic acid, D-Galactaric acid, MTPA, 2,3,4,5-Tetrahydroxyadipic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Saccharolactic acid, mucic acid, Tetrahydroxyhexanedioic acid, Galactarate, Tetrahydroxyadipic acid, D-Galactaric acid, MTPA, 2,3,4,5-Tetrahydroxyadipic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:3037582 CH$LINK: INCHIKEY DSLZVSRJTYRBFB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104407.txt index 4bf63d84ce2..ecd6ba70215 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS104407 -RECORD_TITLE: Saccharolactic acid, mucic acid, Tetrahydroxyhexanedioic acid, Galactarate, Tetrahydroxyadipic acid, D-Galactaric acid, MTPA, 2,3,4,5-Tetrahydroxyadipic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Saccharolactic acid, mucic acid, Tetrahydroxyhexanedioic acid, Galactarate, Tetrahydroxyadipic acid, D-Galactaric acid, MTPA, 2,3,4,5-Tetrahydroxyadipic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:3037582 CH$LINK: INCHIKEY DSLZVSRJTYRBFB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104501.txt index c8151535ea3..c7d1442282c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS104501 -RECORD_TITLE: 2-Methylpropionic acid, Isopropylformic acid, Isobutyrate, 2-Methylpropanoate, Isobutanoic acid, Isobutyric acid, Dimethylacetic acid, alpha-Methylpropanoic Acid, IBA; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Methylpropionic acid, Isopropylformic acid, Isobutyrate, 2-Methylpropanoate, Isobutanoic acid, Isobutyric acid, Dimethylacetic acid, alpha-Methylpropanoic Acid, IBA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:6590 CH$LINK: INCHIKEY KQNPFQTWMSNSAP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104502.txt index d89ddd8df1a..986082fb23f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS104502 -RECORD_TITLE: 2-Methylpropionic acid, Isopropylformic acid, Isobutyrate, 2-Methylpropanoate, Isobutanoic acid, Isobutyric acid, Dimethylacetic acid, alpha-Methylpropanoic Acid, IBA; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-Methylpropionic acid, Isopropylformic acid, Isobutyrate, 2-Methylpropanoate, Isobutanoic acid, Isobutyric acid, Dimethylacetic acid, alpha-Methylpropanoic Acid, IBA; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:6590 CH$LINK: INCHIKEY KQNPFQTWMSNSAP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001205; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104601.txt index 54f213ca604..dd4af387f96 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS104601 -RECORD_TITLE: Ac-Glu, N-Acetyl-DL-glutamic acid, N-Acetylglutamate, 2-(Acetylamino)pentanedioic Acid, N-Acetyl-DL-glutamate; LC-ESI-QQ; MS2 +RECORD_TITLE: Ac-Glu, N-Acetyl-DL-glutamic acid, N-Acetylglutamate, 2-(Acetylamino)pentanedioic Acid, N-Acetyl-DL-glutamate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:70914 CH$LINK: INCHIKEY RFMMMVDNIPUKGG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104602.txt index 4991a5e690a..922dad62238 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS104602 -RECORD_TITLE: Ac-Glu, N-Acetyl-DL-glutamic acid, N-Acetylglutamate, 2-(Acetylamino)pentanedioic Acid, N-Acetyl-DL-glutamate; LC-ESI-QQ; MS2 +RECORD_TITLE: Ac-Glu, N-Acetyl-DL-glutamic acid, N-Acetylglutamate, 2-(Acetylamino)pentanedioic Acid, N-Acetyl-DL-glutamate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:70914 CH$LINK: INCHIKEY RFMMMVDNIPUKGG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104603.txt index 296279bc713..c80f373551d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS104603 -RECORD_TITLE: Ac-Glu, N-Acetyl-DL-glutamic acid, N-Acetylglutamate, 2-(Acetylamino)pentanedioic Acid, N-Acetyl-DL-glutamate; LC-ESI-QQ; MS2 +RECORD_TITLE: Ac-Glu, N-Acetyl-DL-glutamic acid, N-Acetylglutamate, 2-(Acetylamino)pentanedioic Acid, N-Acetyl-DL-glutamate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:70914 CH$LINK: INCHIKEY RFMMMVDNIPUKGG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104604.txt index 1dd88d5ca7e..d314b081079 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS104604 -RECORD_TITLE: Ac-Glu, N-Acetyl-DL-glutamic acid, N-Acetylglutamate, 2-(Acetylamino)pentanedioic Acid, N-Acetyl-DL-glutamate; LC-ESI-QQ; MS2 +RECORD_TITLE: Ac-Glu, N-Acetyl-DL-glutamic acid, N-Acetylglutamate, 2-(Acetylamino)pentanedioic Acid, N-Acetyl-DL-glutamate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:70914 CH$LINK: INCHIKEY RFMMMVDNIPUKGG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104801.txt index 9518d951ccf..7092123a246 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS104801 -RECORD_TITLE: Carbamoyl-DL-aspartic acid, N-Carbamoylaspartate, N-(aminocarbonyl)-DL-aspartic acid, N-Carbamyl-DL-aspartic acid, Ureidosuccinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Carbamoyl-DL-aspartic acid, N-Carbamoylaspartate, N-(aminocarbonyl)-DL-aspartic acid, N-Carbamyl-DL-aspartic acid, Ureidosuccinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:93072 CH$LINK: INCHIKEY HLKXYZVTANABHZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104802.txt index 01c3b4a856e..f89060c443d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS104802 -RECORD_TITLE: Carbamoyl-DL-aspartic acid, N-Carbamoylaspartate, N-(aminocarbonyl)-DL-aspartic acid, N-Carbamyl-DL-aspartic acid, Ureidosuccinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Carbamoyl-DL-aspartic acid, N-Carbamoylaspartate, N-(aminocarbonyl)-DL-aspartic acid, N-Carbamyl-DL-aspartic acid, Ureidosuccinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:93072 CH$LINK: INCHIKEY HLKXYZVTANABHZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104803.txt index 8e4ae398bef..25f842f2291 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS104803 -RECORD_TITLE: Carbamoyl-DL-aspartic acid, N-Carbamoylaspartate, N-(aminocarbonyl)-DL-aspartic acid, N-Carbamyl-DL-aspartic acid, Ureidosuccinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Carbamoyl-DL-aspartic acid, N-Carbamoylaspartate, N-(aminocarbonyl)-DL-aspartic acid, N-Carbamyl-DL-aspartic acid, Ureidosuccinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:93072 CH$LINK: INCHIKEY HLKXYZVTANABHZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104807.txt index 7152a81f17c..30d4381fa65 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS104807 -RECORD_TITLE: Carbamoyl-DL-aspartic acid, N-Carbamoylaspartate, N-(aminocarbonyl)-DL-aspartic acid, N-Carbamyl-DL-aspartic acid, Ureidosuccinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Carbamoyl-DL-aspartic acid, N-Carbamoylaspartate, N-(aminocarbonyl)-DL-aspartic acid, N-Carbamyl-DL-aspartic acid, Ureidosuccinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:93072 CH$LINK: INCHIKEY HLKXYZVTANABHZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104808.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104808.txt index 371b2c367f7..88eea9f866c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104808.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS104808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS104808 -RECORD_TITLE: Carbamoyl-DL-aspartic acid, N-Carbamoylaspartate, N-(aminocarbonyl)-DL-aspartic acid, N-Carbamyl-DL-aspartic acid, Ureidosuccinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Carbamoyl-DL-aspartic acid, N-Carbamoylaspartate, N-(aminocarbonyl)-DL-aspartic acid, N-Carbamyl-DL-aspartic acid, Ureidosuccinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:93072 CH$LINK: INCHIKEY HLKXYZVTANABHZ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105207.txt index 95addf4c4d0..682782b409e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS105207 -RECORD_TITLE: D-tartaric acid, 2,3-Dihydroxybutanedioic Acid, D-Tartrate, D-Threaric acid, (2S,3S)-(?)-Tartaric acid, D(-)-2,3-Dihydroxysuccinic Acid; LC-ESI-QQ; MS2 +RECORD_TITLE: D-tartaric acid, 2,3-Dihydroxybutanedioic Acid, D-Tartrate, D-Threaric acid, (2S,3S)-(?)-Tartaric acid, D(-)-2,3-Dihydroxysuccinic Acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:439655 CH$LINK: INCHIKEY FEWJPZIEWOKRBE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105302.txt index edad7f0dd5d..fdd6bfc5d8f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS105302 -RECORD_TITLE: 3-Hydroxy-p-cymene, 5-Methyl-2-(1-methylethyl)phenol, 2-Isopropyl-5-methylphenol, m-Thymol, 2-Hydroxy-4-methylcumene, 4-Isopropyl-m-cresol, Thymic acid, Thymol, 1-Hydroxy-5-methyl-2-isopropylbenzene, 6-Isopropyl-m-cresol, 3-Hydroxy-4-isopropyltoluene, 1-Methylethyl-4-methylphenol, Thyme camphor, 5-Methyl-2-isopropylphenol; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Hydroxy-p-cymene, 5-Methyl-2-(1-methylethyl)phenol, 2-Isopropyl-5-methylphenol, m-Thymol, 2-Hydroxy-4-methylcumene, 4-Isopropyl-m-cresol, Thymic acid, Thymol, 1-Hydroxy-5-methyl-2-isopropylbenzene, 6-Isopropyl-m-cresol, 3-Hydroxy-4-isopropyltoluene, 1-Methylethyl-4-methylphenol, Thyme camphor, 5-Methyl-2-isopropylphenol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -37,7 +37,7 @@ CH$LINK: PUBCHEM CID:6989 CH$LINK: INCHIKEY MGSRCZKZVOBKFT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001549; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Monoterpenoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105401.txt index 34fc9d1d25f..2570c747465 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS105401 -RECORD_TITLE: Tyr(3,5-diBr), Bromotiren, 3,5-Dibromo-L-tyrosine hydrate, Dibromotirina, Biotiren, beta-(3,5-dibromo-4-hydroxyphenyl)alanine; LC-ESI-QQ; MS2 +RECORD_TITLE: Tyr(3,5-diBr), Bromotiren, 3,5-Dibromo-L-tyrosine hydrate, Dibromotirina, Biotiren, beta-(3,5-dibromo-4-hydroxyphenyl)alanine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:67532 CH$LINK: INCHIKEY COESHZUDRKCEPA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105501.txt index 365a5393ca5..dcbe23fff60 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS105501 -RECORD_TITLE: 3-Chloro-L-tyrosine hydrochloride, Tyr(3-Cl) ; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Chloro-L-tyrosine hydrochloride, Tyr(3-Cl) ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:110992 CH$LINK: INCHIKEY ACWBBAGYTKWBCD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105502.txt index 7b78fe78ddd..0cf90a61dba 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS105502 -RECORD_TITLE: 3-Chloro-L-tyrosine hydrochloride, Tyr(3-Cl) ; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Chloro-L-tyrosine hydrochloride, Tyr(3-Cl) ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:110992 CH$LINK: INCHIKEY ACWBBAGYTKWBCD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105503.txt index b30c3455171..ef6fb38ea0e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS105503 -RECORD_TITLE: 3-Chloro-L-tyrosine hydrochloride, Tyr(3-Cl) ; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Chloro-L-tyrosine hydrochloride, Tyr(3-Cl) ; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -24,7 +24,7 @@ CH$LINK: PUBCHEM CID:110992 CH$LINK: INCHIKEY ACWBBAGYTKWBCD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105601.txt index 86e1575fad5..a1f0e811751 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS105601 -RECORD_TITLE: N,N-Dimethylformamide, Formic acid dimethylamide, DMFA, Formyldimethylamine, DMF, N,N-Dimethylmethanamide; LC-ESI-QQ; MS2 +RECORD_TITLE: N,N-Dimethylformamide, Formic acid dimethylamide, DMFA, Formyldimethylamine, DMF, N,N-Dimethylmethanamide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6228 CH$LINK: INCHIKEY ZMXDDKWLCZADIW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001093; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105602.txt index ae7e26a9eb2..ff9a0ba38ca 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS105602 -RECORD_TITLE: N,N-Dimethylformamide, Formic acid dimethylamide, DMFA, Formyldimethylamine, DMF, N,N-Dimethylmethanamide; LC-ESI-QQ; MS2 +RECORD_TITLE: N,N-Dimethylformamide, Formic acid dimethylamide, DMFA, Formyldimethylamine, DMF, N,N-Dimethylmethanamide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6228 CH$LINK: INCHIKEY ZMXDDKWLCZADIW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001093; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105604.txt index 07a1b815731..462e98df8af 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS105604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS105604 -RECORD_TITLE: N,N-Dimethylformamide, Formic acid dimethylamide, DMFA, Formyldimethylamine, DMF, N,N-Dimethylmethanamide; LC-ESI-QQ; MS2 +RECORD_TITLE: N,N-Dimethylformamide, Formic acid dimethylamide, DMFA, Formyldimethylamine, DMF, N,N-Dimethylmethanamide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6228 CH$LINK: INCHIKEY ZMXDDKWLCZADIW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001093; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Carboxylic acid derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS106901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS106901.txt index 190ab42e78b..80ee96aea30 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS106901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS106901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS106901 -RECORD_TITLE: S-Sulforaphene, (-)4-Isothiocyanato-4R-(methylsulfinyl)-1-butene, Sulforaphen, Raphanin, Sativin, Sulphoraphen; LC-ESI-QQ; MS2 +RECORD_TITLE: S-Sulforaphene, (-)4-Isothiocyanato-4R-(methylsulfinyl)-1-butene, Sulforaphen, Raphanin, Sativin, Sulphoraphen; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6433206 CH$LINK: INCHIKEY QKGJFQMGPDVOQE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000491; Organic compounds; Organosulfur compounds; Sulfoxides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS106902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS106902.txt index 75995ecdebc..2cf85822819 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS106902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS106902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS106902 -RECORD_TITLE: S-Sulforaphene, (-)4-Isothiocyanato-4R-(methylsulfinyl)-1-butene, Sulforaphen, Raphanin, Sativin, Sulphoraphen; LC-ESI-QQ; MS2 +RECORD_TITLE: S-Sulforaphene, (-)4-Isothiocyanato-4R-(methylsulfinyl)-1-butene, Sulforaphen, Raphanin, Sativin, Sulphoraphen; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:6433206 CH$LINK: INCHIKEY QKGJFQMGPDVOQE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000491; Organic compounds; Organosulfur compounds; Sulfoxides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107002.txt index bf5f4de4da9..1626c850bb9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107002 -RECORD_TITLE: Gluconapin, But-3-enylglucosinolate, Butenyl glucosinolate, 3-butenylglucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: Gluconapin, But-3-enylglucosinolate, Butenyl glucosinolate, 3-butenylglucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548620 CH$LINK: INCHIKEY PLYQBXHVYUJNQB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107107.txt index da47bdc5022..47d3c15fe59 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107107 -RECORD_TITLE: (2R)-2-Hydroxybut-3-enylglucosinolate, Progoitrin, (R)-2-Hydroxy-3-butenyl-glucosinolate, Glucorapiferin; LC-ESI-QQ; MS2 +RECORD_TITLE: (2R)-2-Hydroxybut-3-enylglucosinolate, Progoitrin, (R)-2-Hydroxy-3-butenyl-glucosinolate, Glucorapiferin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9576240 CH$LINK: INCHIKEY MYHSVHWQEVDFQT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107108.txt index d07efd3f190..099af286ed6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107108 -RECORD_TITLE: (2R)-2-Hydroxybut-3-enylglucosinolate, Progoitrin, (R)-2-Hydroxy-3-butenyl-glucosinolate, Glucorapiferin; LC-ESI-QQ; MS2 +RECORD_TITLE: (2R)-2-Hydroxybut-3-enylglucosinolate, Progoitrin, (R)-2-Hydroxy-3-butenyl-glucosinolate, Glucorapiferin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9576240 CH$LINK: INCHIKEY MYHSVHWQEVDFQT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107110.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107110.txt index 583e9103e67..da885e34be1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107110.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107110.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107110 -RECORD_TITLE: (2R)-2-Hydroxybut-3-enylglucosinolate, Progoitrin, (R)-2-Hydroxy-3-butenyl-glucosinolate, Glucorapiferin; LC-ESI-QQ; MS2 +RECORD_TITLE: (2R)-2-Hydroxybut-3-enylglucosinolate, Progoitrin, (R)-2-Hydroxy-3-butenyl-glucosinolate, Glucorapiferin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9576240 CH$LINK: INCHIKEY MYHSVHWQEVDFQT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107111.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107111.txt index 08c8b84a79e..b6b0ee33001 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107111.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107111.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107111 -RECORD_TITLE: (2R)-2-Hydroxybut-3-enylglucosinolate, Progoitrin, (R)-2-Hydroxy-3-butenyl-glucosinolate, Glucorapiferin; LC-ESI-QQ; MS2 +RECORD_TITLE: (2R)-2-Hydroxybut-3-enylglucosinolate, Progoitrin, (R)-2-Hydroxy-3-butenyl-glucosinolate, Glucorapiferin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9576240 CH$LINK: INCHIKEY MYHSVHWQEVDFQT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107112.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107112.txt index d2551a531ad..5975070f9ed 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107112.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107112.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107112 -RECORD_TITLE: (2R)-2-Hydroxybut-3-enylglucosinolate, Progoitrin, (R)-2-Hydroxy-3-butenyl-glucosinolate, Glucorapiferin; LC-ESI-QQ; MS2 +RECORD_TITLE: (2R)-2-Hydroxybut-3-enylglucosinolate, Progoitrin, (R)-2-Hydroxy-3-butenyl-glucosinolate, Glucorapiferin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9576240 CH$LINK: INCHIKEY MYHSVHWQEVDFQT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107207.txt index 048767d315c..6e73ae6bc4e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107207 -RECORD_TITLE: Epiprogoitrin, (S)--2-Hydroxy-3-butenyl-glucosinolate, (2S)-2-Hydroxybut-3-enylglucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: Epiprogoitrin, (S)--2-Hydroxy-3-butenyl-glucosinolate, (2S)-2-Hydroxybut-3-enylglucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:9576649 CH$LINK: INCHIKEY MYHSVHWQEVDFQT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107208.txt index 81396d155cb..1af2376e793 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107208 -RECORD_TITLE: Epiprogoitrin, (S)--2-Hydroxy-3-butenyl-glucosinolate, (2S)-2-Hydroxybut-3-enylglucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: Epiprogoitrin, (S)--2-Hydroxy-3-butenyl-glucosinolate, (2S)-2-Hydroxybut-3-enylglucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:9576649 CH$LINK: INCHIKEY MYHSVHWQEVDFQT-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107304.txt index b6bb02b4c62..5b666b7b801 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107304 -RECORD_TITLE: Glucoerucin, 4-(Methylthio)butylglucosinolate, 4MTB, 4-methylthiobutyl glucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: Glucoerucin, 4-(Methylthio)butylglucosinolate, 4MTB, 4-methylthiobutyl glucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548895 CH$LINK: INCHIKEY GKUMMDFLKGFCKH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107401.txt index 391f1542776..f52fa74e6ee 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107401 -RECORD_TITLE: 3-Methylsulfinylpropyl glucosinolate, beta-D-Glucopyranose,1-thio-,1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate), Glucoiberin, 3-(Methylsulfinyl)propylglucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Methylsulfinylpropyl glucosinolate, beta-D-Glucopyranose,1-thio-,1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate), Glucoiberin, 3-(Methylsulfinyl)propylglucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548622 CH$LINK: INCHIKEY PHYYADMVYQURSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107402.txt index 598e6532aba..91f18a00911 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107402 -RECORD_TITLE: 3-Methylsulfinylpropyl glucosinolate, beta-D-Glucopyranose,1-thio-,1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate), Glucoiberin, 3-(Methylsulfinyl)propylglucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Methylsulfinylpropyl glucosinolate, beta-D-Glucopyranose,1-thio-,1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate), Glucoiberin, 3-(Methylsulfinyl)propylglucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548622 CH$LINK: INCHIKEY PHYYADMVYQURSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107403.txt index 55f2789d2bf..2b845fc92df 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107403 -RECORD_TITLE: 3-Methylsulfinylpropyl glucosinolate, beta-D-Glucopyranose,1-thio-,1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate), Glucoiberin, 3-(Methylsulfinyl)propylglucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Methylsulfinylpropyl glucosinolate, beta-D-Glucopyranose,1-thio-,1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate), Glucoiberin, 3-(Methylsulfinyl)propylglucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548622 CH$LINK: INCHIKEY PHYYADMVYQURSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107404.txt index 418656ad5ac..c718695cbdc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107404 -RECORD_TITLE: 3-Methylsulfinylpropyl glucosinolate, beta-D-Glucopyranose,1-thio-,1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate), Glucoiberin, 3-(Methylsulfinyl)propylglucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Methylsulfinylpropyl glucosinolate, beta-D-Glucopyranose,1-thio-,1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate), Glucoiberin, 3-(Methylsulfinyl)propylglucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548622 CH$LINK: INCHIKEY PHYYADMVYQURSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107405.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107405.txt index ffcb27a5190..271d8d2e762 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107405.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107405 -RECORD_TITLE: 3-Methylsulfinylpropyl glucosinolate, beta-D-Glucopyranose,1-thio-,1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate), Glucoiberin, 3-(Methylsulfinyl)propylglucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Methylsulfinylpropyl glucosinolate, beta-D-Glucopyranose,1-thio-,1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate), Glucoiberin, 3-(Methylsulfinyl)propylglucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548622 CH$LINK: INCHIKEY PHYYADMVYQURSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107407.txt index 8949e881dde..07f51283493 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107407 -RECORD_TITLE: 3-Methylsulfinylpropyl glucosinolate, beta-D-Glucopyranose,1-thio-,1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate), Glucoiberin, 3-(Methylsulfinyl)propylglucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Methylsulfinylpropyl glucosinolate, beta-D-Glucopyranose,1-thio-,1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate), Glucoiberin, 3-(Methylsulfinyl)propylglucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548622 CH$LINK: INCHIKEY PHYYADMVYQURSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107408.txt index 1580c6dd27b..57fec9c7fed 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107408 -RECORD_TITLE: 3-Methylsulfinylpropyl glucosinolate, beta-D-Glucopyranose,1-thio-,1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate), Glucoiberin, 3-(Methylsulfinyl)propylglucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Methylsulfinylpropyl glucosinolate, beta-D-Glucopyranose,1-thio-,1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate), Glucoiberin, 3-(Methylsulfinyl)propylglucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548622 CH$LINK: INCHIKEY PHYYADMVYQURSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107409.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107409.txt index 0ac9b2cc862..ab6ee2b87ac 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107409.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107409 -RECORD_TITLE: 3-Methylsulfinylpropyl glucosinolate, beta-D-Glucopyranose,1-thio-,1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate), Glucoiberin, 3-(Methylsulfinyl)propylglucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Methylsulfinylpropyl glucosinolate, beta-D-Glucopyranose,1-thio-,1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate), Glucoiberin, 3-(Methylsulfinyl)propylglucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548622 CH$LINK: INCHIKEY PHYYADMVYQURSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107410.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107410.txt index 725fab88a76..5d8518e4c60 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107410.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107410.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107410 -RECORD_TITLE: 3-Methylsulfinylpropyl glucosinolate, beta-D-Glucopyranose,1-thio-,1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate), Glucoiberin, 3-(Methylsulfinyl)propylglucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Methylsulfinylpropyl glucosinolate, beta-D-Glucopyranose,1-thio-,1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate), Glucoiberin, 3-(Methylsulfinyl)propylglucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548622 CH$LINK: INCHIKEY PHYYADMVYQURSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107411.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107411.txt index 0b47cf9aa7e..a1e849cd182 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107411.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107411.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107411 -RECORD_TITLE: 3-Methylsulfinylpropyl glucosinolate, beta-D-Glucopyranose,1-thio-,1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate), Glucoiberin, 3-(Methylsulfinyl)propylglucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Methylsulfinylpropyl glucosinolate, beta-D-Glucopyranose,1-thio-,1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate), Glucoiberin, 3-(Methylsulfinyl)propylglucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548622 CH$LINK: INCHIKEY PHYYADMVYQURSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107412.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107412.txt index 6ab14c47186..4789c7c3908 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107412.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107412.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107412 -RECORD_TITLE: 3-Methylsulfinylpropyl glucosinolate, beta-D-Glucopyranose,1-thio-,1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate), Glucoiberin, 3-(Methylsulfinyl)propylglucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Methylsulfinylpropyl glucosinolate, beta-D-Glucopyranose,1-thio-,1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate), Glucoiberin, 3-(Methylsulfinyl)propylglucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548622 CH$LINK: INCHIKEY PHYYADMVYQURSX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107501.txt index 979584952cd..e045fa0c141 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107501 -RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548634 CH$LINK: INCHIKEY GMMLNKINDDUDCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107502.txt index c1e4236d6df..7d5621e15b4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107502 -RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548634 CH$LINK: INCHIKEY GMMLNKINDDUDCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107503.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107503.txt index c5232c9fad9..9e49402204c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107503.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107503.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107503 -RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548634 CH$LINK: INCHIKEY GMMLNKINDDUDCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107507.txt index 015f7771509..94ff9688de4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107507 -RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548634 CH$LINK: INCHIKEY GMMLNKINDDUDCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107508.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107508.txt index db8c29a598d..f723eb51784 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107508.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107508.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107508 -RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548634 CH$LINK: INCHIKEY GMMLNKINDDUDCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107509.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107509.txt index dcf5e4ac2a9..4643bb4f6e7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107509.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107509.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107509 -RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548634 CH$LINK: INCHIKEY GMMLNKINDDUDCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107510.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107510.txt index 0162452bc18..d9cbbbf552a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107510.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107510.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107510 -RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548634 CH$LINK: INCHIKEY GMMLNKINDDUDCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107511.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107511.txt index b1ddc58d566..260806d2bf8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107511.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107511.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107511 -RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548634 CH$LINK: INCHIKEY GMMLNKINDDUDCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107512.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107512.txt index 53f4c14572b..26f2a352059 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107512.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107512.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107512 -RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQ; MS2 +RECORD_TITLE: 4MSOB, 4-(Methylsulfinyl)butylglucosinolate, 4-methylsulfinylbutyl glucosinolate, glucoraphanin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:9548634 CH$LINK: INCHIKEY GMMLNKINDDUDCF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107607.txt index 4967d9a80ee..4c0de52cc11 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107607 -RECORD_TITLE: 4-(Methylsulfinyl)but-3-enylglucosinolate, Glucoraphenin, 4-Methylsufinyl-3-butenyl glucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-(Methylsulfinyl)but-3-enylglucosinolate, Glucoraphenin, 4-Methylsufinyl-3-butenyl glucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5281138 CH$LINK: INCHIKEY ZFLXCZJBYSPSKU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107608.txt index 2cbec0d577d..d16d2628486 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107608 -RECORD_TITLE: 4-(Methylsulfinyl)but-3-enylglucosinolate, Glucoraphenin, 4-Methylsufinyl-3-butenyl glucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-(Methylsulfinyl)but-3-enylglucosinolate, Glucoraphenin, 4-Methylsufinyl-3-butenyl glucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5281138 CH$LINK: INCHIKEY ZFLXCZJBYSPSKU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107807.txt index 498c2ddc6d8..1ea1f694a2f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107807 -RECORD_TITLE: Benzylglucosinolate, Glucotropeolin, Glucotropaeolin; LC-ESI-QQ; MS2 +RECORD_TITLE: Benzylglucosinolate, Glucotropeolin, Glucotropaeolin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9548605 CH$LINK: INCHIKEY QQGLQYQXUKHWPX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107808.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107808.txt index b3b8392ed86..c10bac88dc2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107808.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107808 -RECORD_TITLE: Benzylglucosinolate, Glucotropeolin, Glucotropaeolin; LC-ESI-QQ; MS2 +RECORD_TITLE: Benzylglucosinolate, Glucotropeolin, Glucotropaeolin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9548605 CH$LINK: INCHIKEY QQGLQYQXUKHWPX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107809.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107809.txt index 009f3556d24..758c409c4dc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107809.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107809.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107809 -RECORD_TITLE: Benzylglucosinolate, Glucotropeolin, Glucotropaeolin; LC-ESI-QQ; MS2 +RECORD_TITLE: Benzylglucosinolate, Glucotropeolin, Glucotropaeolin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9548605 CH$LINK: INCHIKEY QQGLQYQXUKHWPX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107810.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107810.txt index 8175a942eeb..fa6f133454b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107810.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107810.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107810 -RECORD_TITLE: Benzylglucosinolate, Glucotropeolin, Glucotropaeolin; LC-ESI-QQ; MS2 +RECORD_TITLE: Benzylglucosinolate, Glucotropeolin, Glucotropaeolin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9548605 CH$LINK: INCHIKEY QQGLQYQXUKHWPX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107811.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107811.txt index ff4e0ec5637..4112b55e43d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107811.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107811.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107811 -RECORD_TITLE: Benzylglucosinolate, Glucotropeolin, Glucotropaeolin; LC-ESI-QQ; MS2 +RECORD_TITLE: Benzylglucosinolate, Glucotropeolin, Glucotropaeolin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9548605 CH$LINK: INCHIKEY QQGLQYQXUKHWPX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107812.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107812.txt index 4a9fac22f3d..7ef98a35807 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107812.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107812.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107812 -RECORD_TITLE: Benzylglucosinolate, Glucotropeolin, Glucotropaeolin; LC-ESI-QQ; MS2 +RECORD_TITLE: Benzylglucosinolate, Glucotropeolin, Glucotropaeolin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9548605 CH$LINK: INCHIKEY QQGLQYQXUKHWPX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107907.txt index dae4460540f..9c5c0057e85 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107907 -RECORD_TITLE: Gluconasturtiin, Gluconasturcin, 2-Phenethylglucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: Gluconasturtiin, Gluconasturcin, 2-Phenethylglucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9548618 CH$LINK: INCHIKEY CKIJIGYDFNXSET-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107908.txt index 94740c92488..1720b245659 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107908 -RECORD_TITLE: Gluconasturtiin, Gluconasturcin, 2-Phenethylglucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: Gluconasturtiin, Gluconasturcin, 2-Phenethylglucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9548618 CH$LINK: INCHIKEY CKIJIGYDFNXSET-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107909.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107909.txt index aa1040c9e20..c2c9b3020b7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107909.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107909 -RECORD_TITLE: Gluconasturtiin, Gluconasturcin, 2-Phenethylglucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: Gluconasturtiin, Gluconasturcin, 2-Phenethylglucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9548618 CH$LINK: INCHIKEY CKIJIGYDFNXSET-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107910.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107910.txt index 5287afd1427..4cdc18a5de1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107910.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107910.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107910 -RECORD_TITLE: Gluconasturtiin, Gluconasturcin, 2-Phenethylglucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: Gluconasturtiin, Gluconasturcin, 2-Phenethylglucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9548618 CH$LINK: INCHIKEY CKIJIGYDFNXSET-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107911.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107911.txt index 4bdac94082c..0f5d5b8c6ea 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107911.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107911.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107911 -RECORD_TITLE: Gluconasturtiin, Gluconasturcin, 2-Phenethylglucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: Gluconasturtiin, Gluconasturcin, 2-Phenethylglucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9548618 CH$LINK: INCHIKEY CKIJIGYDFNXSET-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107912.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107912.txt index 366f3eb07b6..a08f053deff 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107912.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS107912.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS107912 -RECORD_TITLE: Gluconasturtiin, Gluconasturcin, 2-Phenethylglucosinolate; LC-ESI-QQ; MS2 +RECORD_TITLE: Gluconasturtiin, Gluconasturcin, 2-Phenethylglucosinolate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:9548618 CH$LINK: INCHIKEY CKIJIGYDFNXSET-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108101.txt index 9c7fe28b084..70ef4bcbb08 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS108101 -RECORD_TITLE: p-Hydroxybenzylglucosinolate, Sinalbin; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Hydroxybenzylglucosinolate, Sinalbin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:9601115 CH$LINK: INCHIKEY WWBNBPSEKLOHJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108102.txt index d969737b3c9..b97e3d07049 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS108102 -RECORD_TITLE: p-Hydroxybenzylglucosinolate, Sinalbin; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Hydroxybenzylglucosinolate, Sinalbin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:9601115 CH$LINK: INCHIKEY WWBNBPSEKLOHJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108103.txt index 3af26e98886..93313a517b8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS108103 -RECORD_TITLE: p-Hydroxybenzylglucosinolate, Sinalbin; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Hydroxybenzylglucosinolate, Sinalbin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:9601115 CH$LINK: INCHIKEY WWBNBPSEKLOHJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108104.txt index 13dceb76b17..fb06a55256d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS108104 -RECORD_TITLE: p-Hydroxybenzylglucosinolate, Sinalbin; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Hydroxybenzylglucosinolate, Sinalbin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:9601115 CH$LINK: INCHIKEY WWBNBPSEKLOHJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108105.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108105.txt index 11e26902fee..e46d87b706e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108105.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS108105 -RECORD_TITLE: p-Hydroxybenzylglucosinolate, Sinalbin; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Hydroxybenzylglucosinolate, Sinalbin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:9601115 CH$LINK: INCHIKEY WWBNBPSEKLOHJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108106.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108106.txt index b52b7374d30..90eebb02e5c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108106.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS108106 -RECORD_TITLE: p-Hydroxybenzylglucosinolate, Sinalbin; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Hydroxybenzylglucosinolate, Sinalbin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:9601115 CH$LINK: INCHIKEY WWBNBPSEKLOHJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108107.txt index 4f38af95448..ad70e15c604 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS108107 -RECORD_TITLE: p-Hydroxybenzylglucosinolate, Sinalbin; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Hydroxybenzylglucosinolate, Sinalbin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:9601115 CH$LINK: INCHIKEY WWBNBPSEKLOHJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108108.txt index d86e2308f43..18845361b52 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS108108 -RECORD_TITLE: p-Hydroxybenzylglucosinolate, Sinalbin; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Hydroxybenzylglucosinolate, Sinalbin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:9601115 CH$LINK: INCHIKEY WWBNBPSEKLOHJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108109.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108109.txt index 686e78908c0..8c92145f6da 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108109.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS108109 -RECORD_TITLE: p-Hydroxybenzylglucosinolate, Sinalbin; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Hydroxybenzylglucosinolate, Sinalbin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:9601115 CH$LINK: INCHIKEY WWBNBPSEKLOHJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108110.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108110.txt index 58634fa1e3b..7e459a55cb0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108110.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108110.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS108110 -RECORD_TITLE: p-Hydroxybenzylglucosinolate, Sinalbin; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Hydroxybenzylglucosinolate, Sinalbin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:9601115 CH$LINK: INCHIKEY WWBNBPSEKLOHJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108111.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108111.txt index 1cfa5e3b012..01e27215322 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108111.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108111.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS108111 -RECORD_TITLE: p-Hydroxybenzylglucosinolate, Sinalbin; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Hydroxybenzylglucosinolate, Sinalbin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:9601115 CH$LINK: INCHIKEY WWBNBPSEKLOHJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108112.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108112.txt index f842104a3b9..9d20f0bb551 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108112.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108112.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS108112 -RECORD_TITLE: p-Hydroxybenzylglucosinolate, Sinalbin; LC-ESI-QQ; MS2 +RECORD_TITLE: p-Hydroxybenzylglucosinolate, Sinalbin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:9601115 CH$LINK: INCHIKEY WWBNBPSEKLOHJU-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108701.txt index 0fb23cb2343..3256494e9d3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS108701 -RECORD_TITLE: Syringic aldehyde, Gallaldehyde 3,5-dimethyl ether, Syringylaldehyde, 3,5-Dimethoxy-4-hydroxybenzene carbonal, Syringealdehyde, Syringaldehyde, 4-Hydroxy-3,5-dimethoxybenzaldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Syringic aldehyde, Gallaldehyde 3,5-dimethyl ether, Syringylaldehyde, 3,5-Dimethoxy-4-hydroxybenzene carbonal, Syringealdehyde, Syringaldehyde, 4-Hydroxy-3,5-dimethoxybenzaldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8655 CH$LINK: INCHIKEY KCDXJAYRVLXPFO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108702.txt index e1f3e0efc03..1706a314852 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS108702 -RECORD_TITLE: Syringic aldehyde, Gallaldehyde 3,5-dimethyl ether, Syringylaldehyde, 3,5-Dimethoxy-4-hydroxybenzene carbonal, Syringealdehyde, Syringaldehyde, 4-Hydroxy-3,5-dimethoxybenzaldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Syringic aldehyde, Gallaldehyde 3,5-dimethyl ether, Syringylaldehyde, 3,5-Dimethoxy-4-hydroxybenzene carbonal, Syringealdehyde, Syringaldehyde, 4-Hydroxy-3,5-dimethoxybenzaldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8655 CH$LINK: INCHIKEY KCDXJAYRVLXPFO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108703.txt index 341fd3a5ccc..00930bdcf6c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS108703 -RECORD_TITLE: Syringic aldehyde, Gallaldehyde 3,5-dimethyl ether, Syringylaldehyde, 3,5-Dimethoxy-4-hydroxybenzene carbonal, Syringealdehyde, Syringaldehyde, 4-Hydroxy-3,5-dimethoxybenzaldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Syringic aldehyde, Gallaldehyde 3,5-dimethyl ether, Syringylaldehyde, 3,5-Dimethoxy-4-hydroxybenzene carbonal, Syringealdehyde, Syringaldehyde, 4-Hydroxy-3,5-dimethoxybenzaldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:8655 CH$LINK: INCHIKEY KCDXJAYRVLXPFO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000190; Organic compounds; Benzenoids; Phenols; Methoxyphenols AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108801.txt index efe682f5d55..fb1054e67fc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS108801 -RECORD_TITLE: 4-Hydroxy-3,5-dimethoxy-cinnamic acid, SA, Sinapate, Sinapic acid, Sin, 3,5-dimethoxy-4-hydroxycinnamic acid, Sinapinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Hydroxy-3,5-dimethoxy-cinnamic acid, SA, Sinapate, Sinapic acid, Sin, 3,5-dimethoxy-4-hydroxycinnamic acid, Sinapinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:637775 CH$LINK: INCHIKEY PCMORTLOPMLEFB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108802.txt index a6dbb6294e9..b815a313d51 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS108802 -RECORD_TITLE: 4-Hydroxy-3,5-dimethoxy-cinnamic acid, SA, Sinapate, Sinapic acid, Sin, 3,5-dimethoxy-4-hydroxycinnamic acid, Sinapinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Hydroxy-3,5-dimethoxy-cinnamic acid, SA, Sinapate, Sinapic acid, Sin, 3,5-dimethoxy-4-hydroxycinnamic acid, Sinapinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:637775 CH$LINK: INCHIKEY PCMORTLOPMLEFB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108807.txt index ba734e7e013..5bada367d75 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS108807 -RECORD_TITLE: 4-Hydroxy-3,5-dimethoxy-cinnamic acid, SA, Sinapate, Sinapic acid, Sin, 3,5-dimethoxy-4-hydroxycinnamic acid, Sinapinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 4-Hydroxy-3,5-dimethoxy-cinnamic acid, SA, Sinapate, Sinapic acid, Sin, 3,5-dimethoxy-4-hydroxycinnamic acid, Sinapinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:637775 CH$LINK: INCHIKEY PCMORTLOPMLEFB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108901.txt index 8d7624e39b1..22438c6a8af 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS108901 -RECORD_TITLE: Indole-3-aldehyde, beta-Indolylaldehyde, 1H-indole-3-carbaldehyde, 3-Formylindole, Indole-3-carboxaldehyde , Indole-3-carbaldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Indole-3-aldehyde, beta-Indolylaldehyde, 1H-indole-3-carbaldehyde, 3-Formylindole, Indole-3-carboxaldehyde , Indole-3-carbaldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:10256 CH$LINK: INCHIKEY OLNJUISKUQQNIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108902.txt index ea80e3d59f0..81bf91eb241 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS108902 -RECORD_TITLE: Indole-3-aldehyde, beta-Indolylaldehyde, 1H-indole-3-carbaldehyde, 3-Formylindole, Indole-3-carboxaldehyde , Indole-3-carbaldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Indole-3-aldehyde, beta-Indolylaldehyde, 1H-indole-3-carbaldehyde, 3-Formylindole, Indole-3-carboxaldehyde , Indole-3-carbaldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:10256 CH$LINK: INCHIKEY OLNJUISKUQQNIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108903.txt index 2e0e0554485..5344c86296f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS108903 -RECORD_TITLE: Indole-3-aldehyde, beta-Indolylaldehyde, 1H-indole-3-carbaldehyde, 3-Formylindole, Indole-3-carboxaldehyde , Indole-3-carbaldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Indole-3-aldehyde, beta-Indolylaldehyde, 1H-indole-3-carbaldehyde, 3-Formylindole, Indole-3-carboxaldehyde , Indole-3-carbaldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:10256 CH$LINK: INCHIKEY OLNJUISKUQQNIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108904.txt index 545d39934aa..b5648e3a1b3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS108904 -RECORD_TITLE: Indole-3-aldehyde, beta-Indolylaldehyde, 1H-indole-3-carbaldehyde, 3-Formylindole, Indole-3-carboxaldehyde , Indole-3-carbaldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Indole-3-aldehyde, beta-Indolylaldehyde, 1H-indole-3-carbaldehyde, 3-Formylindole, Indole-3-carboxaldehyde , Indole-3-carbaldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:10256 CH$LINK: INCHIKEY OLNJUISKUQQNIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108905.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108905.txt index 69c925e379d..d6519ab4602 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108905.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS108905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS108905 -RECORD_TITLE: Indole-3-aldehyde, beta-Indolylaldehyde, 1H-indole-3-carbaldehyde, 3-Formylindole, Indole-3-carboxaldehyde , Indole-3-carbaldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: Indole-3-aldehyde, beta-Indolylaldehyde, 1H-indole-3-carbaldehyde, 3-Formylindole, Indole-3-carboxaldehyde , Indole-3-carbaldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:10256 CH$LINK: INCHIKEY OLNJUISKUQQNIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109001.txt index 2fd3ce8da68..69fb32eebd3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109001 -RECORD_TITLE: 1-Methoxy-3-formylindole, 3-Formyl-1-methoxyindole, 1-Methoxy-3-carbaldehyde, 1-methoxyindole-3-carbaldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Methoxy-3-formylindole, 3-Formyl-1-methoxyindole, 1-Methoxy-3-carbaldehyde, 1-methoxyindole-3-carbaldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:398554 CH$LINK: INCHIKEY NFGIENSPALNOON-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109002.txt index c37446c56c4..decfdcbf033 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109002 -RECORD_TITLE: 1-Methoxy-3-formylindole, 3-Formyl-1-methoxyindole, 1-Methoxy-3-carbaldehyde, 1-methoxyindole-3-carbaldehyde; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-Methoxy-3-formylindole, 3-Formyl-1-methoxyindole, 1-Methoxy-3-carbaldehyde, 1-methoxyindole-3-carbaldehyde; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:398554 CH$LINK: INCHIKEY NFGIENSPALNOON-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109101.txt index 12e288ae9f4..a67da1512ae 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109101 -RECORD_TITLE: 3-Indolylcarboxylic Acid, 3-Indoleformic Acid, Indole-3-carboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Indolylcarboxylic Acid, 3-Indoleformic Acid, Indole-3-carboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:69867 CH$LINK: INCHIKEY KMAKOBLIOCQGJP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002013; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109102.txt index cb52e5e6731..7c57d1ea070 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109102 -RECORD_TITLE: 3-Indolylcarboxylic Acid, 3-Indoleformic Acid, Indole-3-carboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Indolylcarboxylic Acid, 3-Indoleformic Acid, Indole-3-carboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:69867 CH$LINK: INCHIKEY KMAKOBLIOCQGJP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002013; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109107.txt index 43f2b96ba7d..61482043c78 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109107 -RECORD_TITLE: 3-Indolylcarboxylic Acid, 3-Indoleformic Acid, Indole-3-carboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Indolylcarboxylic Acid, 3-Indoleformic Acid, Indole-3-carboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:69867 CH$LINK: INCHIKEY KMAKOBLIOCQGJP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002013; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109108.txt index dbf4e977148..8f2e2624aa4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109108 -RECORD_TITLE: 3-Indolylcarboxylic Acid, 3-Indoleformic Acid, Indole-3-carboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Indolylcarboxylic Acid, 3-Indoleformic Acid, Indole-3-carboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:69867 CH$LINK: INCHIKEY KMAKOBLIOCQGJP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002013; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109109.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109109.txt index ae11a0fbc86..f69563dd573 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109109.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109109 -RECORD_TITLE: 3-Indolylcarboxylic Acid, 3-Indoleformic Acid, Indole-3-carboxylic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 3-Indolylcarboxylic Acid, 3-Indoleformic Acid, Indole-3-carboxylic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:69867 CH$LINK: INCHIKEY KMAKOBLIOCQGJP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002013; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indolecarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109201.txt index b360d6dee69..ed621a3dc30 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109201 -RECORD_TITLE: Kaempferol-3,7-O-di-rhamnopyranoside, Kaem-3-Rha-7-Rha, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3,7-O-di-rhamnopyranoside, Kaem-3-Rha-7-Rha, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109202.txt index f945d17ccbb..2f44c25ed13 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109202 -RECORD_TITLE: Kaempferol-3,7-O-di-rhamnopyranoside, Kaem-3-Rha-7-Rha, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3,7-O-di-rhamnopyranoside, Kaem-3-Rha-7-Rha, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109203.txt index 883d15ab2bf..1978fef5ff5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109203 -RECORD_TITLE: Kaempferol-3,7-O-di-rhamnopyranoside, Kaem-3-Rha-7-Rha, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3,7-O-di-rhamnopyranoside, Kaem-3-Rha-7-Rha, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109204.txt index 48f6944c887..700ca9180d3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109204 -RECORD_TITLE: Kaempferol-3,7-O-di-rhamnopyranoside, Kaem-3-Rha-7-Rha, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3,7-O-di-rhamnopyranoside, Kaem-3-Rha-7-Rha, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109205.txt index b05a5819111..9af25e35c65 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109205 -RECORD_TITLE: Kaempferol-3,7-O-di-rhamnopyranoside, Kaem-3-Rha-7-Rha, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3,7-O-di-rhamnopyranoside, Kaem-3-Rha-7-Rha, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109206.txt index d627a6c09c2..85020566f3d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109206 -RECORD_TITLE: Kaempferol-3,7-O-di-rhamnopyranoside, Kaem-3-Rha-7-Rha, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3,7-O-di-rhamnopyranoside, Kaem-3-Rha-7-Rha, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109207.txt index 4820e99f5a0..545bcfb8a1a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109207 -RECORD_TITLE: Kaempferol-3,7-O-di-rhamnopyranoside, Kaem-3-Rha-7-Rha, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3,7-O-di-rhamnopyranoside, Kaem-3-Rha-7-Rha, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109208.txt index 5b4658d85bb..763465541ad 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109208 -RECORD_TITLE: Kaempferol-3,7-O-di-rhamnopyranoside, Kaem-3-Rha-7-Rha, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3,7-O-di-rhamnopyranoside, Kaem-3-Rha-7-Rha, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109209.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109209.txt index adbefd03dde..90e930b18f8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109209.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109209 -RECORD_TITLE: Kaempferol-3,7-O-di-rhamnopyranoside, Kaem-3-Rha-7-Rha, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3,7-O-di-rhamnopyranoside, Kaem-3-Rha-7-Rha, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109210.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109210.txt index 13c96ab5062..e042190d1df 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109210.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109210.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109210 -RECORD_TITLE: Kaempferol-3,7-O-di-rhamnopyranoside, Kaem-3-Rha-7-Rha, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3,7-O-di-rhamnopyranoside, Kaem-3-Rha-7-Rha, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109211.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109211.txt index 5a9a0354954..13b3af92fa8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109211.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109211.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109211 -RECORD_TITLE: Kaempferol-3,7-O-di-rhamnopyranoside, Kaem-3-Rha-7-Rha, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3,7-O-di-rhamnopyranoside, Kaem-3-Rha-7-Rha, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109212.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109212.txt index 2d349c94424..8648fc02e9a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109212.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109212.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109212 -RECORD_TITLE: Kaempferol-3,7-O-di-rhamnopyranoside, Kaem-3-Rha-7-Rha, Kaempferitrin; LC-ESI-QQ; MS2 +RECORD_TITLE: Kaempferol-3,7-O-di-rhamnopyranoside, Kaem-3-Rha-7-Rha, Kaempferitrin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5323562 CH$LINK: INCHIKEY PUPKKEQDLNREIM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109701.txt index 91083ddcb2c..8f4a341fd3d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109701 -RECORD_TITLE: DL-Pipecolinic acid, Homoproline, 6-carboxypiperidine, 2-piperidinecarboxylic acid, hexahydropicolinic acid, dihydrobaikiane, pipecolinic acid, pipecolate, pipecolic acid, piperidine-2-carboxylic acid, HomoPro, Hexahydropicolinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-Pipecolinic acid, Homoproline, 6-carboxypiperidine, 2-piperidinecarboxylic acid, hexahydropicolinic acid, dihydrobaikiane, pipecolinic acid, pipecolate, pipecolic acid, piperidine-2-carboxylic acid, HomoPro, Hexahydropicolinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:439227 CH$LINK: INCHIKEY HXEACLLIILLPRG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109702.txt index 3820355ed07..5ab3ec12863 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109702 -RECORD_TITLE: DL-Pipecolinic acid, Homoproline, 6-carboxypiperidine, 2-piperidinecarboxylic acid, hexahydropicolinic acid, dihydrobaikiane, pipecolinic acid, pipecolate, pipecolic acid, piperidine-2-carboxylic acid, HomoPro, Hexahydropicolinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-Pipecolinic acid, Homoproline, 6-carboxypiperidine, 2-piperidinecarboxylic acid, hexahydropicolinic acid, dihydrobaikiane, pipecolinic acid, pipecolate, pipecolic acid, piperidine-2-carboxylic acid, HomoPro, Hexahydropicolinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:439227 CH$LINK: INCHIKEY HXEACLLIILLPRG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109703.txt index 0c8065bf855..9a2c050667e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109703 -RECORD_TITLE: DL-Pipecolinic acid, Homoproline, 6-carboxypiperidine, 2-piperidinecarboxylic acid, hexahydropicolinic acid, dihydrobaikiane, pipecolinic acid, pipecolate, pipecolic acid, piperidine-2-carboxylic acid, HomoPro, Hexahydropicolinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-Pipecolinic acid, Homoproline, 6-carboxypiperidine, 2-piperidinecarboxylic acid, hexahydropicolinic acid, dihydrobaikiane, pipecolinic acid, pipecolate, pipecolic acid, piperidine-2-carboxylic acid, HomoPro, Hexahydropicolinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:439227 CH$LINK: INCHIKEY HXEACLLIILLPRG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109704.txt index 2b4f5dae084..2aa21199896 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109704 -RECORD_TITLE: DL-Pipecolinic acid, Homoproline, 6-carboxypiperidine, 2-piperidinecarboxylic acid, hexahydropicolinic acid, dihydrobaikiane, pipecolinic acid, pipecolate, pipecolic acid, piperidine-2-carboxylic acid, HomoPro, Hexahydropicolinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-Pipecolinic acid, Homoproline, 6-carboxypiperidine, 2-piperidinecarboxylic acid, hexahydropicolinic acid, dihydrobaikiane, pipecolinic acid, pipecolate, pipecolic acid, piperidine-2-carboxylic acid, HomoPro, Hexahydropicolinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:439227 CH$LINK: INCHIKEY HXEACLLIILLPRG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109705.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109705.txt index d976f01eb97..98625fad15d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109705.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109705 -RECORD_TITLE: DL-Pipecolinic acid, Homoproline, 6-carboxypiperidine, 2-piperidinecarboxylic acid, hexahydropicolinic acid, dihydrobaikiane, pipecolinic acid, pipecolate, pipecolic acid, piperidine-2-carboxylic acid, HomoPro, Hexahydropicolinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-Pipecolinic acid, Homoproline, 6-carboxypiperidine, 2-piperidinecarboxylic acid, hexahydropicolinic acid, dihydrobaikiane, pipecolinic acid, pipecolate, pipecolic acid, piperidine-2-carboxylic acid, HomoPro, Hexahydropicolinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:439227 CH$LINK: INCHIKEY HXEACLLIILLPRG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109706.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109706.txt index b6f6d13fed5..0ac975069f9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109706.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109706.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109706 -RECORD_TITLE: DL-Pipecolinic acid, Homoproline, 6-carboxypiperidine, 2-piperidinecarboxylic acid, hexahydropicolinic acid, dihydrobaikiane, pipecolinic acid, pipecolate, pipecolic acid, piperidine-2-carboxylic acid, HomoPro, Hexahydropicolinic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-Pipecolinic acid, Homoproline, 6-carboxypiperidine, 2-piperidinecarboxylic acid, hexahydropicolinic acid, dihydrobaikiane, pipecolinic acid, pipecolate, pipecolic acid, piperidine-2-carboxylic acid, HomoPro, Hexahydropicolinic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:439227 CH$LINK: INCHIKEY HXEACLLIILLPRG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109801.txt index e7bad4d0bc1..a83e20796b7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109801 -RECORD_TITLE: Maleic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Maleic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:444266 CH$LINK: INCHIKEY VZCYOOQTPOCHFL-UPHRSURJSA-N CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109802.txt index 08e55e9aab3..9f56442b14c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109802 -RECORD_TITLE: Maleic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Maleic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:444266 CH$LINK: INCHIKEY VZCYOOQTPOCHFL-UPHRSURJSA-N CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109807.txt index 382f83ce92a..1574169fb4b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS109807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS109807 -RECORD_TITLE: Maleic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: Maleic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:444266 CH$LINK: INCHIKEY VZCYOOQTPOCHFL-UPHRSURJSA-N CH$LINK: ChemOnt CHEMONTID:0000346; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Dicarboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS111001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS111001.txt index c662bc1f566..d0a14828f7d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS111001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS111001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS111001 -RECORD_TITLE: Heptadecane, n-Heptadecane, Alkane C17; LC-ESI-QQ; MS2 +RECORD_TITLE: Heptadecane, n-Heptadecane, Alkane C17; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:12398 CH$LINK: INCHIKEY NDJKXXJCMXVBJW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002500; Organic compounds; Hydrocarbons; Saturated hydrocarbons; Alkanes AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112601.txt index c0ff39121e6..e7f8504e07c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS112601 -RECORD_TITLE: alpha-D-Glucopyranose 1-phosphate, alpha-D-glucose-1-phosphate dipotassium salt dihydate, alpha-Glu-1P; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-Glucopyranose 1-phosphate, alpha-D-glucose-1-phosphate dipotassium salt dihydate, alpha-Glu-1P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439165 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112602.txt index ebe3b9d8912..a6f505c8f0d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS112602 -RECORD_TITLE: alpha-D-Glucopyranose 1-phosphate, alpha-D-glucose-1-phosphate dipotassium salt dihydate, alpha-Glu-1P; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-Glucopyranose 1-phosphate, alpha-D-glucose-1-phosphate dipotassium salt dihydate, alpha-Glu-1P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439165 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112603.txt index a53a11731cc..8359e2fd169 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS112603 -RECORD_TITLE: alpha-D-Glucopyranose 1-phosphate, alpha-D-glucose-1-phosphate dipotassium salt dihydate, alpha-Glu-1P; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-Glucopyranose 1-phosphate, alpha-D-glucose-1-phosphate dipotassium salt dihydate, alpha-Glu-1P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439165 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112607.txt index cc82f8fe52a..0cc1989cfc5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS112607 -RECORD_TITLE: alpha-D-Glucopyranose 1-phosphate, alpha-D-glucose-1-phosphate dipotassium salt dihydate, alpha-Glu-1P; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-Glucopyranose 1-phosphate, alpha-D-glucose-1-phosphate dipotassium salt dihydate, alpha-Glu-1P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439165 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112608.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112608.txt index 46136aaff13..ee0dd6e9062 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112608.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112608.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS112608 -RECORD_TITLE: alpha-D-Glucopyranose 1-phosphate, alpha-D-glucose-1-phosphate dipotassium salt dihydate, alpha-Glu-1P; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-Glucopyranose 1-phosphate, alpha-D-glucose-1-phosphate dipotassium salt dihydate, alpha-Glu-1P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439165 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112609.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112609.txt index 3fc7c1ccb59..76f6d4142bb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112609.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112609.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS112609 -RECORD_TITLE: alpha-D-Glucopyranose 1-phosphate, alpha-D-glucose-1-phosphate dipotassium salt dihydate, alpha-Glu-1P; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-Glucopyranose 1-phosphate, alpha-D-glucose-1-phosphate dipotassium salt dihydate, alpha-Glu-1P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439165 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112610.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112610.txt index 03ba55b1ae6..bae92769e5f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112610.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112610.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS112610 -RECORD_TITLE: alpha-D-Glucopyranose 1-phosphate, alpha-D-glucose-1-phosphate dipotassium salt dihydate, alpha-Glu-1P; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-Glucopyranose 1-phosphate, alpha-D-glucose-1-phosphate dipotassium salt dihydate, alpha-Glu-1P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439165 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112611.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112611.txt index b4e9b219885..6fed279b105 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112611.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS112611.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS112611 -RECORD_TITLE: alpha-D-Glucopyranose 1-phosphate, alpha-D-glucose-1-phosphate dipotassium salt dihydate, alpha-Glu-1P; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D-Glucopyranose 1-phosphate, alpha-D-glucose-1-phosphate dipotassium salt dihydate, alpha-Glu-1P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439165 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113001.txt index 67979dfacc6..067e9c36a1f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS113001 -RECORD_TITLE: Helicocerin, cerulenin, (2R,3S,E,E)-2,3-Epoxy-4-oxo-7,10-dodecadienamide; LC-ESI-QQ; MS2 +RECORD_TITLE: Helicocerin, cerulenin, (2R,3S,E,E)-2,3-Epoxy-4-oxo-7,10-dodecadienamide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5282054 CH$LINK: INCHIKEY GVEZIHKRYBHEFX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001864; Organic compounds; Organoheterocyclic compounds; Epoxides; Oxirane carboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113002.txt index cd9e25d3a3a..e60f47a85ac 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS113002 -RECORD_TITLE: Helicocerin, cerulenin, (2R,3S,E,E)-2,3-Epoxy-4-oxo-7,10-dodecadienamide; LC-ESI-QQ; MS2 +RECORD_TITLE: Helicocerin, cerulenin, (2R,3S,E,E)-2,3-Epoxy-4-oxo-7,10-dodecadienamide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5282054 CH$LINK: INCHIKEY GVEZIHKRYBHEFX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001864; Organic compounds; Organoheterocyclic compounds; Epoxides; Oxirane carboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113003.txt index d64e389a1b2..a07293505ce 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS113003 -RECORD_TITLE: Helicocerin, cerulenin, (2R,3S,E,E)-2,3-Epoxy-4-oxo-7,10-dodecadienamide; LC-ESI-QQ; MS2 +RECORD_TITLE: Helicocerin, cerulenin, (2R,3S,E,E)-2,3-Epoxy-4-oxo-7,10-dodecadienamide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5282054 CH$LINK: INCHIKEY GVEZIHKRYBHEFX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001864; Organic compounds; Organoheterocyclic compounds; Epoxides; Oxirane carboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113004.txt index 83ac552d339..3d4def447a8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS113004 -RECORD_TITLE: Helicocerin, cerulenin, (2R,3S,E,E)-2,3-Epoxy-4-oxo-7,10-dodecadienamide; LC-ESI-QQ; MS2 +RECORD_TITLE: Helicocerin, cerulenin, (2R,3S,E,E)-2,3-Epoxy-4-oxo-7,10-dodecadienamide; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5282054 CH$LINK: INCHIKEY GVEZIHKRYBHEFX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001864; Organic compounds; Organoheterocyclic compounds; Epoxides; Oxirane carboxylic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113101.txt index 6bca4bbf5dc..4ed6cf5389f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS113101 -RECORD_TITLE: 6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylic acid-N-lactone, Fusarium toxin, Benzoxacyclotetradecin-1,7(8H)-dione, zearalenone, Mycotoxin F2, Zenone, FES; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylic acid-N-lactone, Fusarium toxin, Benzoxacyclotetradecin-1,7(8H)-dione, zearalenone, Mycotoxin F2, Zenone, FES; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281576 CH$LINK: INCHIKEY MBMQEIFVQACCCH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001788; Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Zearalenones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113102.txt index a2cb1f26189..2c73a653440 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS113102 -RECORD_TITLE: 6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylic acid-N-lactone, Fusarium toxin, Benzoxacyclotetradecin-1,7(8H)-dione, zearalenone, Mycotoxin F2, Zenone, FES; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylic acid-N-lactone, Fusarium toxin, Benzoxacyclotetradecin-1,7(8H)-dione, zearalenone, Mycotoxin F2, Zenone, FES; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281576 CH$LINK: INCHIKEY MBMQEIFVQACCCH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001788; Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Zearalenones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113107.txt index 35ef7346d98..37a71dc85fa 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS113107 -RECORD_TITLE: 6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylic acid-N-lactone, Fusarium toxin, Benzoxacyclotetradecin-1,7(8H)-dione, zearalenone, Mycotoxin F2, Zenone, FES; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylic acid-N-lactone, Fusarium toxin, Benzoxacyclotetradecin-1,7(8H)-dione, zearalenone, Mycotoxin F2, Zenone, FES; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281576 CH$LINK: INCHIKEY MBMQEIFVQACCCH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001788; Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Zearalenones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113108.txt index 6098d04f5e4..f8d459ace9f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS113108 -RECORD_TITLE: 6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylic acid-N-lactone, Fusarium toxin, Benzoxacyclotetradecin-1,7(8H)-dione, zearalenone, Mycotoxin F2, Zenone, FES; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylic acid-N-lactone, Fusarium toxin, Benzoxacyclotetradecin-1,7(8H)-dione, zearalenone, Mycotoxin F2, Zenone, FES; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281576 CH$LINK: INCHIKEY MBMQEIFVQACCCH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001788; Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Zearalenones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113109.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113109.txt index 97780b81978..4f23e9a288b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113109.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS113109 -RECORD_TITLE: 6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylic acid-N-lactone, Fusarium toxin, Benzoxacyclotetradecin-1,7(8H)-dione, zearalenone, Mycotoxin F2, Zenone, FES; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylic acid-N-lactone, Fusarium toxin, Benzoxacyclotetradecin-1,7(8H)-dione, zearalenone, Mycotoxin F2, Zenone, FES; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281576 CH$LINK: INCHIKEY MBMQEIFVQACCCH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001788; Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Zearalenones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113110.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113110.txt index d61bfa390a3..190e9005a93 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113110.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113110.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS113110 -RECORD_TITLE: 6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylic acid-N-lactone, Fusarium toxin, Benzoxacyclotetradecin-1,7(8H)-dione, zearalenone, Mycotoxin F2, Zenone, FES; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-(10-Hydroxy-6-oxo-trans-1-undecenyl)-beta-resorcylic acid-N-lactone, Fusarium toxin, Benzoxacyclotetradecin-1,7(8H)-dione, zearalenone, Mycotoxin F2, Zenone, FES; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:5281576 CH$LINK: INCHIKEY MBMQEIFVQACCCH-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001788; Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Zearalenones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113505.txt index 7a166fc74b8..059a115f61a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS113505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS113505 -RECORD_TITLE: beta.-Terpineol, Ligustrin, EleutherosideB, Methoxyconiferine, Syringin, Syringoside, 4-(3-hydroxypropenyl)-2,6-dimethoxyphenyl-D-glucoside, Lilacin; LC-ESI-QQ; MS2 +RECORD_TITLE: beta.-Terpineol, Ligustrin, EleutherosideB, Methoxyconiferine, Syringin, Syringoside, 4-(3-hydroxypropenyl)-2,6-dimethoxyphenyl-D-glucoside, Lilacin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:5316860 CH$LINK: INCHIKEY QJVXKWHHAMZTBY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114301.txt index 24e6b884f08..0c017ec8b1e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS114301 -RECORD_TITLE: trans-4-Hydroxycinnamic acid, p-Coumaric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-4-Hydroxycinnamic acid, p-Coumaric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:637542 CH$LINK: INCHIKEY NGSWKAQJJWESNS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114302.txt index 862ad6e07ed..08840ff2147 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS114302 -RECORD_TITLE: trans-4-Hydroxycinnamic acid, p-Coumaric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-4-Hydroxycinnamic acid, p-Coumaric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:637542 CH$LINK: INCHIKEY NGSWKAQJJWESNS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114303.txt index 6c3a831fd8e..fa7d021d631 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS114303 -RECORD_TITLE: trans-4-Hydroxycinnamic acid, p-Coumaric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-4-Hydroxycinnamic acid, p-Coumaric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:637542 CH$LINK: INCHIKEY NGSWKAQJJWESNS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114307.txt index 09b425ac9a2..4b505256ca6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS114307 -RECORD_TITLE: trans-4-Hydroxycinnamic acid, p-Coumaric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-4-Hydroxycinnamic acid, p-Coumaric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:637542 CH$LINK: INCHIKEY NGSWKAQJJWESNS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114308.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114308.txt index 12993b97596..c56a8831fa1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114308.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114308.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS114308 -RECORD_TITLE: trans-4-Hydroxycinnamic acid, p-Coumaric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-4-Hydroxycinnamic acid, p-Coumaric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:637542 CH$LINK: INCHIKEY NGSWKAQJJWESNS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114309.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114309.txt index 12a3f9bab12..c40370644cf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114309.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114309.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS114309 -RECORD_TITLE: trans-4-Hydroxycinnamic acid, p-Coumaric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: trans-4-Hydroxycinnamic acid, p-Coumaric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:637542 CH$LINK: INCHIKEY NGSWKAQJJWESNS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114401.txt index 3cada0ee439..d2163fde15c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS114401 -RECORD_TITLE: (R)-2-Amino-3-methylmercaptopropionic acid, (R)-2-Amino-3-(methylthio)propanoic Acid, S-Methyl-L-cysteine, L-3-(Methylthio)alanine, Me-Cys; LC-ESI-QQ; MS2 +RECORD_TITLE: (R)-2-Amino-3-methylmercaptopropionic acid, (R)-2-Amino-3-(methylthio)propanoic Acid, S-Methyl-L-cysteine, L-3-(Methylthio)alanine, Me-Cys; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:24417 CH$LINK: INCHIKEY IDIDJDIHTAOVLG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114402.txt index 465932ef0e5..8d46071bc16 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS114402 -RECORD_TITLE: (R)-2-Amino-3-methylmercaptopropionic acid, (R)-2-Amino-3-(methylthio)propanoic Acid, S-Methyl-L-cysteine, L-3-(Methylthio)alanine, Me-Cys; LC-ESI-QQ; MS2 +RECORD_TITLE: (R)-2-Amino-3-methylmercaptopropionic acid, (R)-2-Amino-3-(methylthio)propanoic Acid, S-Methyl-L-cysteine, L-3-(Methylthio)alanine, Me-Cys; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:24417 CH$LINK: INCHIKEY IDIDJDIHTAOVLG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114501.txt index f8925b192a1..fa38c01eeb8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS114501 -RECORD_TITLE: Urate, 8-Hydroxyxanthine, 7,9-Dihydro-1H-purine-2,6,8(3H)-trione, Triketopurine, Lithic acid, Uric acid, 2,6,8-Trihydroxypurine; LC-ESI-QQ; MS2 +RECORD_TITLE: Urate, 8-Hydroxyxanthine, 7,9-Dihydro-1H-purine-2,6,8(3H)-trione, Triketopurine, Lithic acid, Uric acid, 2,6,8-Trihydroxypurine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:1175 CH$LINK: INCHIKEY LEHOTFFKMJEONL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114502.txt index f6b8d519ede..c6d161a44b6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS114502 -RECORD_TITLE: Urate, 8-Hydroxyxanthine, 7,9-Dihydro-1H-purine-2,6,8(3H)-trione, Triketopurine, Lithic acid, Uric acid, 2,6,8-Trihydroxypurine; LC-ESI-QQ; MS2 +RECORD_TITLE: Urate, 8-Hydroxyxanthine, 7,9-Dihydro-1H-purine-2,6,8(3H)-trione, Triketopurine, Lithic acid, Uric acid, 2,6,8-Trihydroxypurine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:1175 CH$LINK: INCHIKEY LEHOTFFKMJEONL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114507.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114507.txt index 3425eb3f8f0..2d7cd040429 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114507.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114507.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS114507 -RECORD_TITLE: Urate, 8-Hydroxyxanthine, 7,9-Dihydro-1H-purine-2,6,8(3H)-trione, Triketopurine, Lithic acid, Uric acid, 2,6,8-Trihydroxypurine; LC-ESI-QQ; MS2 +RECORD_TITLE: Urate, 8-Hydroxyxanthine, 7,9-Dihydro-1H-purine-2,6,8(3H)-trione, Triketopurine, Lithic acid, Uric acid, 2,6,8-Trihydroxypurine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:1175 CH$LINK: INCHIKEY LEHOTFFKMJEONL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000245; Organic compounds; Organoheterocyclic compounds; Imidazopyrimidines; Purines and purine derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114707.txt index 92176dc812b..3ee410d5cf2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS114707 -RECORD_TITLE: D-Glucuronic acid, D-Glucopyranuronic acid, Glucosiduronic Acid, Glucuronate; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Glucuronic acid, D-Glucopyranuronic acid, Glucosiduronic Acid, Glucuronate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:94715 CH$LINK: INCHIKEY AEMOLEFTQBMNLQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114807.txt index d3b9cd2c9c6..f169231a45e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS114807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS114807 -RECORD_TITLE: DL-Glyceric acid sol, Glycerate, 2,3-Dihydroxypropanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: DL-Glyceric acid sol, Glycerate, 2,3-Dihydroxypropanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439194 CH$LINK: INCHIKEY RBNPOMFGQQGHHO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115201.txt index 748930d74fa..40fb1c889f6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS115201 -RECORD_TITLE: Abromine, Trimethylaminoacetic acid, alpha-Earleine, (Carboxymethyl)trimethylammonium inner salt, Trimethylglycocoll, Betaine, Lycine, Trimethylglycine, Glycylbetaine, Oxyneurine, Jortaine, Trimethylammonioacetate; LC-ESI-QQ; MS2 +RECORD_TITLE: Abromine, Trimethylaminoacetic acid, alpha-Earleine, (Carboxymethyl)trimethylammonium inner salt, Trimethylglycocoll, Betaine, Lycine, Trimethylglycine, Glycylbetaine, Oxyneurine, Jortaine, Trimethylammonioacetate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:247 CH$LINK: INCHIKEY KWIUHFFTVRNATP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115202.txt index b6522582918..87bbd084a5b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS115202 -RECORD_TITLE: Abromine, Trimethylaminoacetic acid, alpha-Earleine, (Carboxymethyl)trimethylammonium inner salt, Trimethylglycocoll, Betaine, Lycine, Trimethylglycine, Glycylbetaine, Oxyneurine, Jortaine, Trimethylammonioacetate; LC-ESI-QQ; MS2 +RECORD_TITLE: Abromine, Trimethylaminoacetic acid, alpha-Earleine, (Carboxymethyl)trimethylammonium inner salt, Trimethylglycocoll, Betaine, Lycine, Trimethylglycine, Glycylbetaine, Oxyneurine, Jortaine, Trimethylammonioacetate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:247 CH$LINK: INCHIKEY KWIUHFFTVRNATP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115203.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115203.txt index 283ddf81dc4..44af2840f30 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115203.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS115203 -RECORD_TITLE: Abromine, Trimethylaminoacetic acid, alpha-Earleine, (Carboxymethyl)trimethylammonium inner salt, Trimethylglycocoll, Betaine, Lycine, Trimethylglycine, Glycylbetaine, Oxyneurine, Jortaine, Trimethylammonioacetate; LC-ESI-QQ; MS2 +RECORD_TITLE: Abromine, Trimethylaminoacetic acid, alpha-Earleine, (Carboxymethyl)trimethylammonium inner salt, Trimethylglycocoll, Betaine, Lycine, Trimethylglycine, Glycylbetaine, Oxyneurine, Jortaine, Trimethylammonioacetate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:247 CH$LINK: INCHIKEY KWIUHFFTVRNATP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115204.txt index 0a7a4929db5..b178cfee8b9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS115204 -RECORD_TITLE: Abromine, Trimethylaminoacetic acid, alpha-Earleine, (Carboxymethyl)trimethylammonium inner salt, Trimethylglycocoll, Betaine, Lycine, Trimethylglycine, Glycylbetaine, Oxyneurine, Jortaine, Trimethylammonioacetate; LC-ESI-QQ; MS2 +RECORD_TITLE: Abromine, Trimethylaminoacetic acid, alpha-Earleine, (Carboxymethyl)trimethylammonium inner salt, Trimethylglycocoll, Betaine, Lycine, Trimethylglycine, Glycylbetaine, Oxyneurine, Jortaine, Trimethylammonioacetate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:247 CH$LINK: INCHIKEY KWIUHFFTVRNATP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115205.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115205.txt index 2d7bc0566e5..afcc09a9ade 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115205.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS115205 -RECORD_TITLE: Abromine, Trimethylaminoacetic acid, alpha-Earleine, (Carboxymethyl)trimethylammonium inner salt, Trimethylglycocoll, Betaine, Lycine, Trimethylglycine, Glycylbetaine, Oxyneurine, Jortaine, Trimethylammonioacetate; LC-ESI-QQ; MS2 +RECORD_TITLE: Abromine, Trimethylaminoacetic acid, alpha-Earleine, (Carboxymethyl)trimethylammonium inner salt, Trimethylglycocoll, Betaine, Lycine, Trimethylglycine, Glycylbetaine, Oxyneurine, Jortaine, Trimethylammonioacetate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:247 CH$LINK: INCHIKEY KWIUHFFTVRNATP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115206.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115206.txt index c51799f92cd..904b82ca810 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115206.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS115206 -RECORD_TITLE: Abromine, Trimethylaminoacetic acid, alpha-Earleine, (Carboxymethyl)trimethylammonium inner salt, Trimethylglycocoll, Betaine, Lycine, Trimethylglycine, Glycylbetaine, Oxyneurine, Jortaine, Trimethylammonioacetate; LC-ESI-QQ; MS2 +RECORD_TITLE: Abromine, Trimethylaminoacetic acid, alpha-Earleine, (Carboxymethyl)trimethylammonium inner salt, Trimethylglycocoll, Betaine, Lycine, Trimethylglycine, Glycylbetaine, Oxyneurine, Jortaine, Trimethylammonioacetate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -35,7 +35,7 @@ CH$LINK: PUBCHEM CID:247 CH$LINK: INCHIKEY KWIUHFFTVRNATP-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115403.txt index d9b0993b4a1..4df1817279b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS115403 -RECORD_TITLE: L-6-Deoxygalactose, L-Fucopyranose, Fuc, L-Galactomethylose, L-(-)-Fucose , 6-Deoxy-L-galactopyranose; LC-ESI-QQ; MS2 +RECORD_TITLE: L-6-Deoxygalactose, L-Fucopyranose, Fuc, L-Galactomethylose, L-(-)-Fucose , 6-Deoxy-L-galactopyranose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:17106 CH$LINK: INCHIKEY SHZGCJCMOBCMKK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115601.txt index b0a1ff991ed..11f06589ff1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS115601 -RECORD_TITLE: Rha, Mannomethylose, 6-Deoxy-L-mannose, Locaose , L-Rhamnose monohydrate, Isodulcitol, L(+)Rhamnopyranose, dMan; LC-ESI-QQ; MS2 +RECORD_TITLE: Rha, Mannomethylose, 6-Deoxy-L-mannose, Locaose , L-Rhamnose monohydrate, Isodulcitol, L(+)Rhamnopyranose, dMan; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:25310 CH$LINK: INCHIKEY SHZGCJCMOBCMKK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115701.txt index e8f06c9a8e8..b6f395969b5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS115701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS115701 -RECORD_TITLE: 2,3-Dihydro-p-coumaric Acid, HPPA, 4-Hydroxyphenylpropionic acid, Phloretic acid, 3-(4-Hydroxyphenyl)-propionic acid, Desaminotyrosine, 4-(2-Carboxyethyl)phenol, Phloretate, 3-(p-Hydroxyphenyl)propionic acid, 4-Hydroxyhydrocinnamic acid, 4-Hydroxybenzenepropanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: 2,3-Dihydro-p-coumaric Acid, HPPA, 4-Hydroxyphenylpropionic acid, Phloretic acid, 3-(4-Hydroxyphenyl)-propionic acid, Desaminotyrosine, 4-(2-Carboxyethyl)phenol, Phloretate, 3-(p-Hydroxyphenyl)propionic acid, 4-Hydroxyhydrocinnamic acid, 4-Hydroxybenzenepropanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -34,7 +34,7 @@ CH$LINK: PUBCHEM CID:10394 CH$LINK: INCHIKEY NMHMNPHRMNGLLB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002551; Organic compounds; Phenylpropanoids and polyketides; Phenylpropanoic acids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116401.txt index 76aceb14d10..ca434c3483e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116401 -RECORD_TITLE: AMP 3'-phosphate, 3'-Adenylic acid, Synadenylic acid, 3'-Adenosine monophosphate, 3'-AMP, Adenosine 3'-monophosphate From Yeast; LC-ESI-QQ; MS2 +RECORD_TITLE: AMP 3'-phosphate, 3'-Adenylic acid, Synadenylic acid, 3'-Adenosine monophosphate, 3'-AMP, Adenosine 3'-monophosphate From Yeast; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:41211 CH$LINK: INCHIKEY LNQVTSROQXJCDD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004404; Organic compounds; Nucleosides, nucleotides, and analogues; Ribonucleoside 3'-phosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116402.txt index 50297ff7e64..025532c6b14 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116402 -RECORD_TITLE: AMP 3'-phosphate, 3'-Adenylic acid, Synadenylic acid, 3'-Adenosine monophosphate, 3'-AMP, Adenosine 3'-monophosphate From Yeast; LC-ESI-QQ; MS2 +RECORD_TITLE: AMP 3'-phosphate, 3'-Adenylic acid, Synadenylic acid, 3'-Adenosine monophosphate, 3'-AMP, Adenosine 3'-monophosphate From Yeast; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:41211 CH$LINK: INCHIKEY LNQVTSROQXJCDD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004404; Organic compounds; Nucleosides, nucleotides, and analogues; Ribonucleoside 3'-phosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116403.txt index 4209db82f87..eb2a35a44f4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116403 -RECORD_TITLE: AMP 3'-phosphate, 3'-Adenylic acid, Synadenylic acid, 3'-Adenosine monophosphate, 3'-AMP, Adenosine 3'-monophosphate From Yeast; LC-ESI-QQ; MS2 +RECORD_TITLE: AMP 3'-phosphate, 3'-Adenylic acid, Synadenylic acid, 3'-Adenosine monophosphate, 3'-AMP, Adenosine 3'-monophosphate From Yeast; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:41211 CH$LINK: INCHIKEY LNQVTSROQXJCDD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004404; Organic compounds; Nucleosides, nucleotides, and analogues; Ribonucleoside 3'-phosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116404.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116404.txt index c188c9b17cb..a2f7d76c9d2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116404.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116404.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116404 -RECORD_TITLE: AMP 3'-phosphate, 3'-Adenylic acid, Synadenylic acid, 3'-Adenosine monophosphate, 3'-AMP, Adenosine 3'-monophosphate From Yeast; LC-ESI-QQ; MS2 +RECORD_TITLE: AMP 3'-phosphate, 3'-Adenylic acid, Synadenylic acid, 3'-Adenosine monophosphate, 3'-AMP, Adenosine 3'-monophosphate From Yeast; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:41211 CH$LINK: INCHIKEY LNQVTSROQXJCDD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004404; Organic compounds; Nucleosides, nucleotides, and analogues; Ribonucleoside 3'-phosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116405.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116405.txt index aaf29d12c55..9b60697528b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116405.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116405.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116405 -RECORD_TITLE: AMP 3'-phosphate, 3'-Adenylic acid, Synadenylic acid, 3'-Adenosine monophosphate, 3'-AMP, Adenosine 3'-monophosphate From Yeast; LC-ESI-QQ; MS2 +RECORD_TITLE: AMP 3'-phosphate, 3'-Adenylic acid, Synadenylic acid, 3'-Adenosine monophosphate, 3'-AMP, Adenosine 3'-monophosphate From Yeast; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:41211 CH$LINK: INCHIKEY LNQVTSROQXJCDD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004404; Organic compounds; Nucleosides, nucleotides, and analogues; Ribonucleoside 3'-phosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116406.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116406.txt index 37a81747ff0..ec1acc3f6ba 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116406.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116406.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116406 -RECORD_TITLE: AMP 3'-phosphate, 3'-Adenylic acid, Synadenylic acid, 3'-Adenosine monophosphate, 3'-AMP, Adenosine 3'-monophosphate From Yeast; LC-ESI-QQ; MS2 +RECORD_TITLE: AMP 3'-phosphate, 3'-Adenylic acid, Synadenylic acid, 3'-Adenosine monophosphate, 3'-AMP, Adenosine 3'-monophosphate From Yeast; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:41211 CH$LINK: INCHIKEY LNQVTSROQXJCDD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004404; Organic compounds; Nucleosides, nucleotides, and analogues; Ribonucleoside 3'-phosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116407.txt index 6b876f7e8b9..c8c8d9a134b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116407 -RECORD_TITLE: AMP 3'-phosphate, 3'-Adenylic acid, Synadenylic acid, 3'-Adenosine monophosphate, 3'-AMP, Adenosine 3'-monophosphate From Yeast; LC-ESI-QQ; MS2 +RECORD_TITLE: AMP 3'-phosphate, 3'-Adenylic acid, Synadenylic acid, 3'-Adenosine monophosphate, 3'-AMP, Adenosine 3'-monophosphate From Yeast; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:41211 CH$LINK: INCHIKEY LNQVTSROQXJCDD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004404; Organic compounds; Nucleosides, nucleotides, and analogues; Ribonucleoside 3'-phosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116408.txt index d5b6225c65f..42ff5d166f4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116408 -RECORD_TITLE: AMP 3'-phosphate, 3'-Adenylic acid, Synadenylic acid, 3'-Adenosine monophosphate, 3'-AMP, Adenosine 3'-monophosphate From Yeast; LC-ESI-QQ; MS2 +RECORD_TITLE: AMP 3'-phosphate, 3'-Adenylic acid, Synadenylic acid, 3'-Adenosine monophosphate, 3'-AMP, Adenosine 3'-monophosphate From Yeast; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:41211 CH$LINK: INCHIKEY LNQVTSROQXJCDD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004404; Organic compounds; Nucleosides, nucleotides, and analogues; Ribonucleoside 3'-phosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116409.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116409.txt index 6c1f34af4f6..36792298747 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116409.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116409 -RECORD_TITLE: AMP 3'-phosphate, 3'-Adenylic acid, Synadenylic acid, 3'-Adenosine monophosphate, 3'-AMP, Adenosine 3'-monophosphate From Yeast; LC-ESI-QQ; MS2 +RECORD_TITLE: AMP 3'-phosphate, 3'-Adenylic acid, Synadenylic acid, 3'-Adenosine monophosphate, 3'-AMP, Adenosine 3'-monophosphate From Yeast; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:41211 CH$LINK: INCHIKEY LNQVTSROQXJCDD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0004404; Organic compounds; Nucleosides, nucleotides, and analogues; Ribonucleoside 3'-phosphates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116701.txt index 24353d60a0d..3720846ab23 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116701 -RECORD_TITLE: Reynoutrin, Quer-3-Xyl, Reinutrin, Quercetin-3-D-xyloside; LC-ESI-QQ; MS2 +RECORD_TITLE: Reynoutrin, Quer-3-Xyl, Reinutrin, Quercetin-3-D-xyloside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5320863 CH$LINK: INCHIKEY PZZRDJXEMZMZFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116702.txt index 2b0b58d6560..f66fb326276 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116702 -RECORD_TITLE: Reynoutrin, Quer-3-Xyl, Reinutrin, Quercetin-3-D-xyloside; LC-ESI-QQ; MS2 +RECORD_TITLE: Reynoutrin, Quer-3-Xyl, Reinutrin, Quercetin-3-D-xyloside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5320863 CH$LINK: INCHIKEY PZZRDJXEMZMZFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116703.txt index 8bb53df20af..edf84016914 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116703 -RECORD_TITLE: Reynoutrin, Quer-3-Xyl, Reinutrin, Quercetin-3-D-xyloside; LC-ESI-QQ; MS2 +RECORD_TITLE: Reynoutrin, Quer-3-Xyl, Reinutrin, Quercetin-3-D-xyloside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5320863 CH$LINK: INCHIKEY PZZRDJXEMZMZFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116704.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116704.txt index b2034b5215b..f54d5d50ea2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116704.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116704.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116704 -RECORD_TITLE: Reynoutrin, Quer-3-Xyl, Reinutrin, Quercetin-3-D-xyloside; LC-ESI-QQ; MS2 +RECORD_TITLE: Reynoutrin, Quer-3-Xyl, Reinutrin, Quercetin-3-D-xyloside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5320863 CH$LINK: INCHIKEY PZZRDJXEMZMZFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116705.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116705.txt index be0319b65a2..e5379d9080c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116705.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116705.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116705 -RECORD_TITLE: Reynoutrin, Quer-3-Xyl, Reinutrin, Quercetin-3-D-xyloside; LC-ESI-QQ; MS2 +RECORD_TITLE: Reynoutrin, Quer-3-Xyl, Reinutrin, Quercetin-3-D-xyloside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5320863 CH$LINK: INCHIKEY PZZRDJXEMZMZFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116706.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116706.txt index 23244e06790..194f65f213a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116706.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116706.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116706 -RECORD_TITLE: Reynoutrin, Quer-3-Xyl, Reinutrin, Quercetin-3-D-xyloside; LC-ESI-QQ; MS2 +RECORD_TITLE: Reynoutrin, Quer-3-Xyl, Reinutrin, Quercetin-3-D-xyloside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5320863 CH$LINK: INCHIKEY PZZRDJXEMZMZFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116707.txt index 4143ce24398..09a07b8ec19 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116707 -RECORD_TITLE: Reynoutrin, Quer-3-Xyl, Reinutrin, Quercetin-3-D-xyloside; LC-ESI-QQ; MS2 +RECORD_TITLE: Reynoutrin, Quer-3-Xyl, Reinutrin, Quercetin-3-D-xyloside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5320863 CH$LINK: INCHIKEY PZZRDJXEMZMZFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116708.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116708.txt index d2103d93e45..1d9486a4fa6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116708.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116708 -RECORD_TITLE: Reynoutrin, Quer-3-Xyl, Reinutrin, Quercetin-3-D-xyloside; LC-ESI-QQ; MS2 +RECORD_TITLE: Reynoutrin, Quer-3-Xyl, Reinutrin, Quercetin-3-D-xyloside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5320863 CH$LINK: INCHIKEY PZZRDJXEMZMZFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116709.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116709.txt index 3b5798ded60..e2f4adc9fa9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116709.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116709.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116709 -RECORD_TITLE: Reynoutrin, Quer-3-Xyl, Reinutrin, Quercetin-3-D-xyloside; LC-ESI-QQ; MS2 +RECORD_TITLE: Reynoutrin, Quer-3-Xyl, Reinutrin, Quercetin-3-D-xyloside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5320863 CH$LINK: INCHIKEY PZZRDJXEMZMZFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116710.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116710.txt index 71ad7d035ee..26c32ada440 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116710.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116710.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116710 -RECORD_TITLE: Reynoutrin, Quer-3-Xyl, Reinutrin, Quercetin-3-D-xyloside; LC-ESI-QQ; MS2 +RECORD_TITLE: Reynoutrin, Quer-3-Xyl, Reinutrin, Quercetin-3-D-xyloside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5320863 CH$LINK: INCHIKEY PZZRDJXEMZMZFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116711.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116711.txt index 59c1d048b91..a5df4aa5cbc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116711.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116711.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116711 -RECORD_TITLE: Reynoutrin, Quer-3-Xyl, Reinutrin, Quercetin-3-D-xyloside; LC-ESI-QQ; MS2 +RECORD_TITLE: Reynoutrin, Quer-3-Xyl, Reinutrin, Quercetin-3-D-xyloside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5320863 CH$LINK: INCHIKEY PZZRDJXEMZMZFD-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116801.txt index ca93d6b266d..c19f49fcdb5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116801 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetin-3-O-alpha-L-rhamnopyranoside, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetin-3-O-alpha-L-rhamnopyranoside, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116802.txt index a83f13abb8f..aed1a09497e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116802 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetin-3-O-alpha-L-rhamnopyranoside, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetin-3-O-alpha-L-rhamnopyranoside, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116803.txt index 7efb43e4f77..ddea692722c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116803 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetin-3-O-alpha-L-rhamnopyranoside, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetin-3-O-alpha-L-rhamnopyranoside, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116804.txt index ab4948b62f2..9c1edc8c416 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116804 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetin-3-O-alpha-L-rhamnopyranoside, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetin-3-O-alpha-L-rhamnopyranoside, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116805.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116805.txt index dba1877ab7b..cd9c44da9dd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116805.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116805.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116805 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetin-3-O-alpha-L-rhamnopyranoside, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetin-3-O-alpha-L-rhamnopyranoside, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116807.txt index 78bcda502eb..d6e65a09355 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116807 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetin-3-O-alpha-L-rhamnopyranoside, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetin-3-O-alpha-L-rhamnopyranoside, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116808.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116808.txt index 549f34fd2b7..bb01f3403c4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116808.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116808 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetin-3-O-alpha-L-rhamnopyranoside, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetin-3-O-alpha-L-rhamnopyranoside, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116809.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116809.txt index b0df6a9bf59..127f1e5ada6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116809.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116809.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116809 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetin-3-O-alpha-L-rhamnopyranoside, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetin-3-O-alpha-L-rhamnopyranoside, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116810.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116810.txt index f6998d6a1d9..80a4e52718f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116810.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116810.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116810 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetin-3-O-alpha-L-rhamnopyranoside, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetin-3-O-alpha-L-rhamnopyranoside, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116811.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116811.txt index cdeb502040b..30a9fa2a1ec 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116811.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS116811.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS116811 -RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetin-3-O-alpha-L-rhamnopyranoside, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-3-Rha, thujin, Quercitrin, Quercetin-3-O-alpha-L-rhamnopyranoside, Quercetrin, Quercetin- 3-(6-deoxy-alpha-L-mannopyranoside), Quercimelin, quercetin-3-O-rhamnoside, Quercitroside, 3,3',4',5,7-Pentahydroxyflavone-3-L-rhamnoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -33,7 +33,7 @@ CH$LINK: PUBCHEM CID:5280459 CH$LINK: INCHIKEY OXGUCUVFOIWWQJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117001.txt index c0b5c45b9fd..d51ad3f165c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS117001 -RECORD_TITLE: Quer-7-Rha, Quercetin-7-O-rhamnoside, Vincetoxicoside B; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-7-Rha, Quercetin-7-O-rhamnoside, Vincetoxicoside B; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5748601 CH$LINK: INCHIKEY QPHXPNUXTNHJOF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117002.txt index 983bb116611..c88c65e2a23 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS117002 -RECORD_TITLE: Quer-7-Rha, Quercetin-7-O-rhamnoside, Vincetoxicoside B; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-7-Rha, Quercetin-7-O-rhamnoside, Vincetoxicoside B; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5748601 CH$LINK: INCHIKEY QPHXPNUXTNHJOF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117003.txt index 8d64679f970..c3275c269ae 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS117003 -RECORD_TITLE: Quer-7-Rha, Quercetin-7-O-rhamnoside, Vincetoxicoside B; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-7-Rha, Quercetin-7-O-rhamnoside, Vincetoxicoside B; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5748601 CH$LINK: INCHIKEY QPHXPNUXTNHJOF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117004.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117004.txt index 18dd845a7d9..0eef20ae4a7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117004.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS117004 -RECORD_TITLE: Quer-7-Rha, Quercetin-7-O-rhamnoside, Vincetoxicoside B; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-7-Rha, Quercetin-7-O-rhamnoside, Vincetoxicoside B; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5748601 CH$LINK: INCHIKEY QPHXPNUXTNHJOF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117006.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117006.txt index c3c8ab769fd..9370c394cab 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117006.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117006.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS117006 -RECORD_TITLE: Quer-7-Rha, Quercetin-7-O-rhamnoside, Vincetoxicoside B; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-7-Rha, Quercetin-7-O-rhamnoside, Vincetoxicoside B; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5748601 CH$LINK: INCHIKEY QPHXPNUXTNHJOF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117007.txt index fbc058b7059..1bbe10ad6bf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS117007 -RECORD_TITLE: Quer-7-Rha, Quercetin-7-O-rhamnoside, Vincetoxicoside B; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-7-Rha, Quercetin-7-O-rhamnoside, Vincetoxicoside B; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5748601 CH$LINK: INCHIKEY QPHXPNUXTNHJOF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117008.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117008.txt index 58e0e8ebfcb..728bd5dc25d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117008.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS117008 -RECORD_TITLE: Quer-7-Rha, Quercetin-7-O-rhamnoside, Vincetoxicoside B; LC-ESI-QQ; MS2 +RECORD_TITLE: Quer-7-Rha, Quercetin-7-O-rhamnoside, Vincetoxicoside B; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5748601 CH$LINK: INCHIKEY QPHXPNUXTNHJOF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117101.txt index d97c61fcf39..31767e28e46 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS117101 -RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:60961 CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117102.txt index b2c13666f52..b033cbd6454 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS117102 -RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:60961 CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117103.txt index 9fe92f6fd91..8f26b916cf2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS117103 -RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:60961 CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117104.txt index 5d471cbb0d5..9e1ac83bc0f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS117104 -RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:60961 CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117105.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117105.txt index 1d88255727e..0551a21577c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117105.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS117105 -RECORD_TITLE: Adenosine; LC-ESI-QQ; MS2 +RECORD_TITLE: Adenosine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -30,7 +30,7 @@ CH$LINK: PUBCHEM CID:60961 CH$LINK: INCHIKEY OIRDTQYFTABQOQ-KQYNXXCUSA-N CH$LINK: ChemOnt CHEMONTID:0000479; Organic compounds; Nucleosides, nucleotides, and analogues; Purine nucleosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117901.txt index 7206cd2c135..98e6b0e3a67 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS117901 -RECORD_TITLE: 2-O-sinapoylmalate , Sinapoyl malate, Sinapoyl-(S)-malate; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-O-sinapoylmalate , Sinapoyl malate, Sinapoyl-(S)-malate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:11953815 CH$LINK: INCHIKEY DUDGAPSRYCQPBG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117902.txt index 04b475bca11..1c7429731a8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS117902 -RECORD_TITLE: 2-O-sinapoylmalate , Sinapoyl malate, Sinapoyl-(S)-malate; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-O-sinapoylmalate , Sinapoyl malate, Sinapoyl-(S)-malate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:11953815 CH$LINK: INCHIKEY DUDGAPSRYCQPBG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117907.txt index 3ee9a2b4d8d..5c3424f7287 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS117907 -RECORD_TITLE: 2-O-sinapoylmalate , Sinapoyl malate, Sinapoyl-(S)-malate; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-O-sinapoylmalate , Sinapoyl malate, Sinapoyl-(S)-malate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:11953815 CH$LINK: INCHIKEY DUDGAPSRYCQPBG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117908.txt index b2a473b95e6..90aa9e8e5d2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS117908 -RECORD_TITLE: 2-O-sinapoylmalate , Sinapoyl malate, Sinapoyl-(S)-malate; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-O-sinapoylmalate , Sinapoyl malate, Sinapoyl-(S)-malate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:11953815 CH$LINK: INCHIKEY DUDGAPSRYCQPBG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117909.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117909.txt index b183a52f611..7da92365594 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117909.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS117909 -RECORD_TITLE: 2-O-sinapoylmalate , Sinapoyl malate, Sinapoyl-(S)-malate; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-O-sinapoylmalate , Sinapoyl malate, Sinapoyl-(S)-malate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:11953815 CH$LINK: INCHIKEY DUDGAPSRYCQPBG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117910.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117910.txt index 8985fe001a4..7a79ec4f17f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117910.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117910.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS117910 -RECORD_TITLE: 2-O-sinapoylmalate , Sinapoyl malate, Sinapoyl-(S)-malate; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-O-sinapoylmalate , Sinapoyl malate, Sinapoyl-(S)-malate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:11953815 CH$LINK: INCHIKEY DUDGAPSRYCQPBG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117911.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117911.txt index 85dce747e27..fcaf4c4c702 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117911.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS117911.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS117911 -RECORD_TITLE: 2-O-sinapoylmalate , Sinapoyl malate, Sinapoyl-(S)-malate; LC-ESI-QQ; MS2 +RECORD_TITLE: 2-O-sinapoylmalate , Sinapoyl malate, Sinapoyl-(S)-malate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:11953815 CH$LINK: INCHIKEY DUDGAPSRYCQPBG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118101.txt index 8915925dbea..d00c328bcf7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS118101 -RECORD_TITLE: 1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosyl sinapate, 1-O-Sinapoyl beta-D-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosyl sinapate, 1-O-Sinapoyl beta-D-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280406 CH$LINK: INCHIKEY XRKBRPFTFKKHEF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118102.txt index b921d86ab82..fd14238f108 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS118102 -RECORD_TITLE: 1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosyl sinapate, 1-O-Sinapoyl beta-D-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosyl sinapate, 1-O-Sinapoyl beta-D-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280406 CH$LINK: INCHIKEY XRKBRPFTFKKHEF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118103.txt index 849b19e2515..69f3ac469f4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS118103 -RECORD_TITLE: 1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosyl sinapate, 1-O-Sinapoyl beta-D-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosyl sinapate, 1-O-Sinapoyl beta-D-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280406 CH$LINK: INCHIKEY XRKBRPFTFKKHEF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118104.txt index d7f8f8a8c91..a3d17c9f9d6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS118104 -RECORD_TITLE: 1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosyl sinapate, 1-O-Sinapoyl beta-D-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosyl sinapate, 1-O-Sinapoyl beta-D-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280406 CH$LINK: INCHIKEY XRKBRPFTFKKHEF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118105.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118105.txt index 41fed3ecbd2..aa06f5aab23 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118105.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS118105 -RECORD_TITLE: 1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosyl sinapate, 1-O-Sinapoyl beta-D-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosyl sinapate, 1-O-Sinapoyl beta-D-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280406 CH$LINK: INCHIKEY XRKBRPFTFKKHEF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118106.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118106.txt index 2301436d49b..4e670edecec 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118106.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS118106 -RECORD_TITLE: 1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosyl sinapate, 1-O-Sinapoyl beta-D-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosyl sinapate, 1-O-Sinapoyl beta-D-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280406 CH$LINK: INCHIKEY XRKBRPFTFKKHEF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118107.txt index c85d6f51228..d39fb867abd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS118107 -RECORD_TITLE: 1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosyl sinapate, 1-O-Sinapoyl beta-D-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosyl sinapate, 1-O-Sinapoyl beta-D-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280406 CH$LINK: INCHIKEY XRKBRPFTFKKHEF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118108.txt index 635dbd3c7dd..a61832a2d83 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS118108 -RECORD_TITLE: 1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosyl sinapate, 1-O-Sinapoyl beta-D-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosyl sinapate, 1-O-Sinapoyl beta-D-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280406 CH$LINK: INCHIKEY XRKBRPFTFKKHEF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118109.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118109.txt index 1db8b484a21..bc8c5c044b7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118109.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS118109 -RECORD_TITLE: 1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosyl sinapate, 1-O-Sinapoyl beta-D-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosyl sinapate, 1-O-Sinapoyl beta-D-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280406 CH$LINK: INCHIKEY XRKBRPFTFKKHEF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118110.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118110.txt index 3d21c8a2c99..e6f3ea2f722 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118110.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118110.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS118110 -RECORD_TITLE: 1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosyl sinapate, 1-O-Sinapoyl beta-D-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosyl sinapate, 1-O-Sinapoyl beta-D-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280406 CH$LINK: INCHIKEY XRKBRPFTFKKHEF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118111.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118111.txt index 9a85330362b..61f06b18984 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118111.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118111.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS118111 -RECORD_TITLE: 1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosyl sinapate, 1-O-Sinapoyl beta-D-glucoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 1-O-Sinapoyl-beta-D-glucose, 1-O-b-D-glucopyranosyl sinapate, 1-O-Sinapoyl beta-D-glucoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280406 CH$LINK: INCHIKEY XRKBRPFTFKKHEF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001391; Organic compounds; Phenylpropanoids and polyketides; Cinnamic acids and derivatives; Hydroxycinnamic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118407.txt index fc2b6d6b940..cf159d8f978 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS118407 -RECORD_TITLE: 2,3-Dihydroxypropanoic acid, Glycerate, DL-Glyceric Acid calcium Salt hydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: 2,3-Dihydroxypropanoic acid, Glycerate, DL-Glyceric Acid calcium Salt hydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439194 CH$LINK: INCHIKEY RBNPOMFGQQGHHO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118901.txt index deb064ea69b..0237255c351 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS118901 -RECORD_TITLE: delta-Ureidonorvaline, L-2-Amino-5-ureidovaleric acid, N5-Carbamoyl-L-ornithine, Sitrulline, L-Citrulline, Orn(carbamoyl), Cit, (S)-2-Amino-5-ureidopentanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: delta-Ureidonorvaline, L-2-Amino-5-ureidovaleric acid, N5-Carbamoyl-L-ornithine, Sitrulline, L-Citrulline, Orn(carbamoyl), Cit, (S)-2-Amino-5-ureidopentanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:9750 CH$LINK: INCHIKEY RHGKLRLOHDJJDR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118902.txt index 99ed9f0f09b..9ae5bac883b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS118902 -RECORD_TITLE: delta-Ureidonorvaline, L-2-Amino-5-ureidovaleric acid, N5-Carbamoyl-L-ornithine, Sitrulline, L-Citrulline, Orn(carbamoyl), Cit, (S)-2-Amino-5-ureidopentanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: delta-Ureidonorvaline, L-2-Amino-5-ureidovaleric acid, N5-Carbamoyl-L-ornithine, Sitrulline, L-Citrulline, Orn(carbamoyl), Cit, (S)-2-Amino-5-ureidopentanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:9750 CH$LINK: INCHIKEY RHGKLRLOHDJJDR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118903.txt index c1e32fc86c8..ba05844f8e5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS118903 -RECORD_TITLE: delta-Ureidonorvaline, L-2-Amino-5-ureidovaleric acid, N5-Carbamoyl-L-ornithine, Sitrulline, L-Citrulline, Orn(carbamoyl), Cit, (S)-2-Amino-5-ureidopentanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: delta-Ureidonorvaline, L-2-Amino-5-ureidovaleric acid, N5-Carbamoyl-L-ornithine, Sitrulline, L-Citrulline, Orn(carbamoyl), Cit, (S)-2-Amino-5-ureidopentanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:9750 CH$LINK: INCHIKEY RHGKLRLOHDJJDR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118904.txt index bef263b865d..9d562b3ee7c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS118904 -RECORD_TITLE: delta-Ureidonorvaline, L-2-Amino-5-ureidovaleric acid, N5-Carbamoyl-L-ornithine, Sitrulline, L-Citrulline, Orn(carbamoyl), Cit, (S)-2-Amino-5-ureidopentanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: delta-Ureidonorvaline, L-2-Amino-5-ureidovaleric acid, N5-Carbamoyl-L-ornithine, Sitrulline, L-Citrulline, Orn(carbamoyl), Cit, (S)-2-Amino-5-ureidopentanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:9750 CH$LINK: INCHIKEY RHGKLRLOHDJJDR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118905.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118905.txt index ace9bdf2cbb..bed06980f5a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118905.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS118905 -RECORD_TITLE: delta-Ureidonorvaline, L-2-Amino-5-ureidovaleric acid, N5-Carbamoyl-L-ornithine, Sitrulline, L-Citrulline, Orn(carbamoyl), Cit, (S)-2-Amino-5-ureidopentanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: delta-Ureidonorvaline, L-2-Amino-5-ureidovaleric acid, N5-Carbamoyl-L-ornithine, Sitrulline, L-Citrulline, Orn(carbamoyl), Cit, (S)-2-Amino-5-ureidopentanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:9750 CH$LINK: INCHIKEY RHGKLRLOHDJJDR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118907.txt index 037184a49a1..d62e7408635 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS118907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS118907 -RECORD_TITLE: delta-Ureidonorvaline, L-2-Amino-5-ureidovaleric acid, N5-Carbamoyl-L-ornithine, Sitrulline, L-Citrulline, Orn(carbamoyl), Cit, (S)-2-Amino-5-ureidopentanoic acid; LC-ESI-QQ; MS2 +RECORD_TITLE: delta-Ureidonorvaline, L-2-Amino-5-ureidovaleric acid, N5-Carbamoyl-L-ornithine, Sitrulline, L-Citrulline, Orn(carbamoyl), Cit, (S)-2-Amino-5-ureidopentanoic acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -31,7 +31,7 @@ CH$LINK: PUBCHEM CID:9750 CH$LINK: INCHIKEY RHGKLRLOHDJJDR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119207.txt index a06befdae0c..e1bf151ec5c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS119207 -RECORD_TITLE: 6-O-beta-D-Glucopyranosyl-D-glucose, beta-D-glucopyranosyl-(1-6)-D-glucose, beta-Gentiobiose, Gentiobiose, Glc(beta1-6)Glc, Amygdalose; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-O-beta-D-Glucopyranosyl-D-glucose, beta-D-glucopyranosyl-(1-6)-D-glucose, beta-Gentiobiose, Gentiobiose, Glc(beta1-6)Glc, Amygdalose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:441422 CH$LINK: INCHIKEY DLRVVLDZNNYCBX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119301.txt index 3d533a28443..08d0b0d9277 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS119301 -RECORD_TITLE: (3R-cis) (?)-Dihydro-3,4-dihydroxy-2(3H)-furanone, D-Erythronolactone, D-Erythronic acid gamma-lactone; LC-ESI-QQ; MS2 +RECORD_TITLE: (3R-cis) (?)-Dihydro-3,4-dihydroxy-2(3H)-furanone, D-Erythronolactone, D-Erythronic acid gamma-lactone; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5325915 CH$LINK: INCHIKEY SGMJBNSHAZVGMC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001245; Organic compounds; Organoheterocyclic compounds; Lactones; Gamma butyrolactones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119407.txt index 7ad9faa11d0..f77b065ff6a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS119407 -RECORD_TITLE: D-(+)-Melezitose monohydrate, O-alpha-D-Glucopyranosyl-(1-3)-beta-D-fructofuranosyl-alpha-D-glucopyranoside, Glc(alpha1-3)Fruf(beta2-1alpha)Glc, Melizitose; LC-ESI-QQ; MS2 +RECORD_TITLE: D-(+)-Melezitose monohydrate, O-alpha-D-Glucopyranosyl-(1-3)-beta-D-fructofuranosyl-alpha-D-glucopyranoside, Glc(alpha1-3)Fruf(beta2-1alpha)Glc, Melizitose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:92817 CH$LINK: INCHIKEY QWIZNVHXZXRPDR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119408.txt index 9d53674997b..065eaeac431 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS119408 -RECORD_TITLE: D-(+)-Melezitose monohydrate, O-alpha-D-Glucopyranosyl-(1-3)-beta-D-fructofuranosyl-alpha-D-glucopyranoside, Glc(alpha1-3)Fruf(beta2-1alpha)Glc, Melizitose; LC-ESI-QQ; MS2 +RECORD_TITLE: D-(+)-Melezitose monohydrate, O-alpha-D-Glucopyranosyl-(1-3)-beta-D-fructofuranosyl-alpha-D-glucopyranoside, Glc(alpha1-3)Fruf(beta2-1alpha)Glc, Melizitose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:92817 CH$LINK: INCHIKEY QWIZNVHXZXRPDR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119411.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119411.txt index 5fe8cb6015d..6b914212e10 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119411.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119411.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS119411 -RECORD_TITLE: D-(+)-Melezitose monohydrate, O-alpha-D-Glucopyranosyl-(1-3)-beta-D-fructofuranosyl-alpha-D-glucopyranoside, Glc(alpha1-3)Fruf(beta2-1alpha)Glc, Melizitose; LC-ESI-QQ; MS2 +RECORD_TITLE: D-(+)-Melezitose monohydrate, O-alpha-D-Glucopyranosyl-(1-3)-beta-D-fructofuranosyl-alpha-D-glucopyranoside, Glc(alpha1-3)Fruf(beta2-1alpha)Glc, Melizitose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:92817 CH$LINK: INCHIKEY QWIZNVHXZXRPDR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119601.txt index c5b8918dec8..8c912517477 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS119601 -RECORD_TITLE: Manna sugar, Cordycepic acid, Manicol, Resectisol, 1,2,3,4,5,6-Hexanehexol, Diosmol, Mannidex, Mannigen, Mannitolum, Osmitrol, Mannite, Isotol, Osmosal, Manita, D-(-)-Mannitol; LC-ESI-QQ; MS2 +RECORD_TITLE: Manna sugar, Cordycepic acid, Manicol, Resectisol, 1,2,3,4,5,6-Hexanehexol, Diosmol, Mannidex, Mannigen, Mannitolum, Osmitrol, Mannite, Isotol, Osmosal, Manita, D-(-)-Mannitol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -38,7 +38,7 @@ CH$LINK: PUBCHEM CID:6251 CH$LINK: INCHIKEY FBPFZTCFMRRESA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119607.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119607.txt index 097d8ce766e..efd08a305cf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119607.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119607.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS119607 -RECORD_TITLE: Manna sugar, Cordycepic acid, Manicol, Resectisol, 1,2,3,4,5,6-Hexanehexol, Diosmol, Mannidex, Mannigen, Mannitolum, Osmitrol, Mannite, Isotol, Osmosal, Manita, D-(-)-Mannitol; LC-ESI-QQ; MS2 +RECORD_TITLE: Manna sugar, Cordycepic acid, Manicol, Resectisol, 1,2,3,4,5,6-Hexanehexol, Diosmol, Mannidex, Mannigen, Mannitolum, Osmitrol, Mannite, Isotol, Osmosal, Manita, D-(-)-Mannitol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -38,7 +38,7 @@ CH$LINK: PUBCHEM CID:6251 CH$LINK: INCHIKEY FBPFZTCFMRRESA-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119701.txt index 225f1f0424b..b0dca41863c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS119701 -RECORD_TITLE: Gla+myo-inositol, Galactinol Dihydrate, 1-O-alpha-D-Galactosyl-D-myo-inositol, 6beta-Galactinol; LC-ESI-QQ; MS2 +RECORD_TITLE: Gla+myo-inositol, Galactinol Dihydrate, 1-O-alpha-D-Galactosyl-D-myo-inositol, 6beta-Galactinol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439451 CH$LINK: INCHIKEY VCWMRQDBPZKXKG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119702.txt index 52e467eca8d..6419d2414e6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS119702 -RECORD_TITLE: Gla+myo-inositol, Galactinol Dihydrate, 1-O-alpha-D-Galactosyl-D-myo-inositol, 6beta-Galactinol; LC-ESI-QQ; MS2 +RECORD_TITLE: Gla+myo-inositol, Galactinol Dihydrate, 1-O-alpha-D-Galactosyl-D-myo-inositol, 6beta-Galactinol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439451 CH$LINK: INCHIKEY VCWMRQDBPZKXKG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119703.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119703.txt index 512def94261..5160a8f2596 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119703.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119703.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS119703 -RECORD_TITLE: Gla+myo-inositol, Galactinol Dihydrate, 1-O-alpha-D-Galactosyl-D-myo-inositol, 6beta-Galactinol; LC-ESI-QQ; MS2 +RECORD_TITLE: Gla+myo-inositol, Galactinol Dihydrate, 1-O-alpha-D-Galactosyl-D-myo-inositol, 6beta-Galactinol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439451 CH$LINK: INCHIKEY VCWMRQDBPZKXKG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119707.txt index 33f45c4233a..47b165266fe 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS119707 -RECORD_TITLE: Gla+myo-inositol, Galactinol Dihydrate, 1-O-alpha-D-Galactosyl-D-myo-inositol, 6beta-Galactinol; LC-ESI-QQ; MS2 +RECORD_TITLE: Gla+myo-inositol, Galactinol Dihydrate, 1-O-alpha-D-Galactosyl-D-myo-inositol, 6beta-Galactinol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439451 CH$LINK: INCHIKEY VCWMRQDBPZKXKG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119708.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119708.txt index 6883544a3e8..b3f874a217f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119708.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS119708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS119708 -RECORD_TITLE: Gla+myo-inositol, Galactinol Dihydrate, 1-O-alpha-D-Galactosyl-D-myo-inositol, 6beta-Galactinol; LC-ESI-QQ; MS2 +RECORD_TITLE: Gla+myo-inositol, Galactinol Dihydrate, 1-O-alpha-D-Galactosyl-D-myo-inositol, 6beta-Galactinol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439451 CH$LINK: INCHIKEY VCWMRQDBPZKXKG-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120201.txt index 8a35bb81cdc..a0c041a8f85 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS120201 -RECORD_TITLE: D-Threo-tetrose, D(-)-Threose, D-threo-Aldose; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Threo-tetrose, D(-)-Threose, D-threo-Aldose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:441031 CH$LINK: INCHIKEY FMAORJIQYMIRHF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120601.txt index 0431bd1bdec..497eaedfa57 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS120601 -RECORD_TITLE: Vitamin Be, PteGlu, Folate, Folbal, Folipac, Vitamin B11, Folvite, Folic acid ,approx, Folsan, Folicet, Folcidin, Foliamin, Folettes, Folsaure, Vitamin Bc, Millafol, Folacin, Acifolic, Folsav, Cytofol, Vitamin M, Incafolic, Mittafol, Pteroyl-L-glutamic acid, Foldine, Folacid; LC-ESI-QQ; MS2 +RECORD_TITLE: Vitamin Be, PteGlu, Folate, Folbal, Folipac, Vitamin B11, Folvite, Folic acid ,approx, Folsan, Folicet, Folcidin, Foliamin, Folettes, Folsaure, Vitamin Bc, Millafol, Folacin, Acifolic, Folsav, Cytofol, Vitamin M, Incafolic, Mittafol, Pteroyl-L-glutamic acid, Foldine, Folacid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -49,7 +49,7 @@ CH$LINK: PUBCHEM CID:6037 CH$LINK: INCHIKEY OVBPIULPVIDEAO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000110; Organic compounds; Organoheterocyclic compounds; Pteridines and derivatives; Pterins and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120701.txt index 0d7649dab77..fd62a389295 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS120701 -RECORD_TITLE: Epicatechin-(4.beta.--8)epicatechin-(4.beta.--8)epicatechin, Proanthocyanidin C1, Procyanidin C1, Procyanidol C1; LC-ESI-QQ; MS2 +RECORD_TITLE: Epicatechin-(4.beta.--8)epicatechin-(4.beta.--8)epicatechin, Proanthocyanidin C1, Procyanidin C1, Procyanidol C1; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:169853 CH$LINK: INCHIKEY MOJZMWJRUKIQGL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001586; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Biflavonoids and polyflavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120702.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120702.txt index 93084e65b71..dfa29572362 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120702.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120702.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS120702 -RECORD_TITLE: Epicatechin-(4.beta.--8)epicatechin-(4.beta.--8)epicatechin, Proanthocyanidin C1, Procyanidin C1, Procyanidol C1; LC-ESI-QQ; MS2 +RECORD_TITLE: Epicatechin-(4.beta.--8)epicatechin-(4.beta.--8)epicatechin, Proanthocyanidin C1, Procyanidin C1, Procyanidol C1; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:169853 CH$LINK: INCHIKEY MOJZMWJRUKIQGL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001586; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Biflavonoids and polyflavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120707.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120707.txt index 6d95041a370..239d4ad215c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120707.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120707.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS120707 -RECORD_TITLE: Epicatechin-(4.beta.--8)epicatechin-(4.beta.--8)epicatechin, Proanthocyanidin C1, Procyanidin C1, Procyanidol C1; LC-ESI-QQ; MS2 +RECORD_TITLE: Epicatechin-(4.beta.--8)epicatechin-(4.beta.--8)epicatechin, Proanthocyanidin C1, Procyanidin C1, Procyanidol C1; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:169853 CH$LINK: INCHIKEY MOJZMWJRUKIQGL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001586; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Biflavonoids and polyflavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120708.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120708.txt index 1fc9c40badc..64d02e54c0a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120708.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120708.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS120708 -RECORD_TITLE: Epicatechin-(4.beta.--8)epicatechin-(4.beta.--8)epicatechin, Proanthocyanidin C1, Procyanidin C1, Procyanidol C1; LC-ESI-QQ; MS2 +RECORD_TITLE: Epicatechin-(4.beta.--8)epicatechin-(4.beta.--8)epicatechin, Proanthocyanidin C1, Procyanidin C1, Procyanidol C1; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:169853 CH$LINK: INCHIKEY MOJZMWJRUKIQGL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001586; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Biflavonoids and polyflavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120709.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120709.txt index b296629f308..a0cb3a7ef2b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120709.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS120709.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS120709 -RECORD_TITLE: Epicatechin-(4.beta.--8)epicatechin-(4.beta.--8)epicatechin, Proanthocyanidin C1, Procyanidin C1, Procyanidol C1; LC-ESI-QQ; MS2 +RECORD_TITLE: Epicatechin-(4.beta.--8)epicatechin-(4.beta.--8)epicatechin, Proanthocyanidin C1, Procyanidin C1, Procyanidol C1; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:169853 CH$LINK: INCHIKEY MOJZMWJRUKIQGL-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001586; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Biflavonoids and polyflavonoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121007.txt index 19694b3b2a0..d80d40d7089 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS121007 -RECORD_TITLE: 11,15-Dihydroxy-9-oxoprost-13-en-1-oic Acid, Topiglan, 3-Hydroxy-2-(3-hydroxy-1-octenyl)-5-oxocyclopentaneheptanoic acid, (13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate, (11alpha,13E,15S)-11,15-Dihydroxy-9-oxoprost-13-enoic acid, Minprog, PGE1, Alprostadil, Prostaglandin E1, Prostivas, Caverject, Lipoprost, Prostandin, Liple, Liprostin; LC-ESI-QQ; MS2 +RECORD_TITLE: 11,15-Dihydroxy-9-oxoprost-13-en-1-oic Acid, Topiglan, 3-Hydroxy-2-(3-hydroxy-1-octenyl)-5-oxocyclopentaneheptanoic acid, (13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate, (11alpha,13E,15S)-11,15-Dihydroxy-9-oxoprost-13-enoic acid, Minprog, PGE1, Alprostadil, Prostaglandin E1, Prostivas, Caverject, Lipoprost, Prostandin, Liple, Liprostin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -38,7 +38,7 @@ CH$LINK: PUBCHEM CID:5280723 CH$LINK: INCHIKEY GMVPRGQOIOIIMI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000513; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121008.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121008.txt index 9167ee256bb..06a6294ed41 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121008.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS121008 -RECORD_TITLE: 11,15-Dihydroxy-9-oxoprost-13-en-1-oic Acid, Topiglan, 3-Hydroxy-2-(3-hydroxy-1-octenyl)-5-oxocyclopentaneheptanoic acid, (13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate, (11alpha,13E,15S)-11,15-Dihydroxy-9-oxoprost-13-enoic acid, Minprog, PGE1, Alprostadil, Prostaglandin E1, Prostivas, Caverject, Lipoprost, Prostandin, Liple, Liprostin; LC-ESI-QQ; MS2 +RECORD_TITLE: 11,15-Dihydroxy-9-oxoprost-13-en-1-oic Acid, Topiglan, 3-Hydroxy-2-(3-hydroxy-1-octenyl)-5-oxocyclopentaneheptanoic acid, (13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate, (11alpha,13E,15S)-11,15-Dihydroxy-9-oxoprost-13-enoic acid, Minprog, PGE1, Alprostadil, Prostaglandin E1, Prostivas, Caverject, Lipoprost, Prostandin, Liple, Liprostin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -38,7 +38,7 @@ CH$LINK: PUBCHEM CID:5280723 CH$LINK: INCHIKEY GMVPRGQOIOIIMI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000513; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121009.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121009.txt index d49ae094a93..455aba7a3c8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121009.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS121009 -RECORD_TITLE: 11,15-Dihydroxy-9-oxoprost-13-en-1-oic Acid, Topiglan, 3-Hydroxy-2-(3-hydroxy-1-octenyl)-5-oxocyclopentaneheptanoic acid, (13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate, (11alpha,13E,15S)-11,15-Dihydroxy-9-oxoprost-13-enoic acid, Minprog, PGE1, Alprostadil, Prostaglandin E1, Prostivas, Caverject, Lipoprost, Prostandin, Liple, Liprostin; LC-ESI-QQ; MS2 +RECORD_TITLE: 11,15-Dihydroxy-9-oxoprost-13-en-1-oic Acid, Topiglan, 3-Hydroxy-2-(3-hydroxy-1-octenyl)-5-oxocyclopentaneheptanoic acid, (13E)-(15S)-11alpha,15-Dihydroxy-9-oxoprost-13-enoate, (11alpha,13E,15S)-11,15-Dihydroxy-9-oxoprost-13-enoic acid, Minprog, PGE1, Alprostadil, Prostaglandin E1, Prostivas, Caverject, Lipoprost, Prostandin, Liple, Liprostin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -38,7 +38,7 @@ CH$LINK: PUBCHEM CID:5280723 CH$LINK: INCHIKEY GMVPRGQOIOIIMI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000513; Organic compounds; Lipids and lipid-like molecules; Fatty Acyls; Eicosanoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121901.txt index a8c605307ae..4e0d2b3f257 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS121901 -RECORD_TITLE: Quercetin-3,4'-O-di-beta-glucopyranoside, Quercetin 3,4'-diglucoside, Que 3,4'-di-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3,4'-O-di-beta-glucopyranoside, Quercetin 3,4'-diglucoside, Que 3,4'-di-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5320835 CH$LINK: INCHIKEY RPVIQWDFJPYNJM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121902.txt index 5278564fa57..8eb1197303b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS121902 -RECORD_TITLE: Quercetin-3,4'-O-di-beta-glucopyranoside, Quercetin 3,4'-diglucoside, Que 3,4'-di-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3,4'-O-di-beta-glucopyranoside, Quercetin 3,4'-diglucoside, Que 3,4'-di-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5320835 CH$LINK: INCHIKEY RPVIQWDFJPYNJM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121903.txt index fe81e33e1e1..25ebd6d2636 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS121903 -RECORD_TITLE: Quercetin-3,4'-O-di-beta-glucopyranoside, Quercetin 3,4'-diglucoside, Que 3,4'-di-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3,4'-O-di-beta-glucopyranoside, Quercetin 3,4'-diglucoside, Que 3,4'-di-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5320835 CH$LINK: INCHIKEY RPVIQWDFJPYNJM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121904.txt index 089cc22126f..9a70bd5f104 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS121904 -RECORD_TITLE: Quercetin-3,4'-O-di-beta-glucopyranoside, Quercetin 3,4'-diglucoside, Que 3,4'-di-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3,4'-O-di-beta-glucopyranoside, Quercetin 3,4'-diglucoside, Que 3,4'-di-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5320835 CH$LINK: INCHIKEY RPVIQWDFJPYNJM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121905.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121905.txt index e20c10e8f8e..1ec81c62d4a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121905.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121905.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS121905 -RECORD_TITLE: Quercetin-3,4'-O-di-beta-glucopyranoside, Quercetin 3,4'-diglucoside, Que 3,4'-di-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3,4'-O-di-beta-glucopyranoside, Quercetin 3,4'-diglucoside, Que 3,4'-di-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5320835 CH$LINK: INCHIKEY RPVIQWDFJPYNJM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121906.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121906.txt index 055551fe2a2..e3b912e888e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121906.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121906.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS121906 -RECORD_TITLE: Quercetin-3,4'-O-di-beta-glucopyranoside, Quercetin 3,4'-diglucoside, Que 3,4'-di-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3,4'-O-di-beta-glucopyranoside, Quercetin 3,4'-diglucoside, Que 3,4'-di-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5320835 CH$LINK: INCHIKEY RPVIQWDFJPYNJM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121907.txt index d4fb32e3ef2..93c51368a76 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS121907 -RECORD_TITLE: Quercetin-3,4'-O-di-beta-glucopyranoside, Quercetin 3,4'-diglucoside, Que 3,4'-di-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3,4'-O-di-beta-glucopyranoside, Quercetin 3,4'-diglucoside, Que 3,4'-di-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5320835 CH$LINK: INCHIKEY RPVIQWDFJPYNJM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121908.txt index eba9438b58b..24afb663116 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS121908 -RECORD_TITLE: Quercetin-3,4'-O-di-beta-glucopyranoside, Quercetin 3,4'-diglucoside, Que 3,4'-di-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3,4'-O-di-beta-glucopyranoside, Quercetin 3,4'-diglucoside, Que 3,4'-di-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5320835 CH$LINK: INCHIKEY RPVIQWDFJPYNJM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121909.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121909.txt index a702dccad5b..db4b5408bb8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121909.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS121909 -RECORD_TITLE: Quercetin-3,4'-O-di-beta-glucopyranoside, Quercetin 3,4'-diglucoside, Que 3,4'-di-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3,4'-O-di-beta-glucopyranoside, Quercetin 3,4'-diglucoside, Que 3,4'-di-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5320835 CH$LINK: INCHIKEY RPVIQWDFJPYNJM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121910.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121910.txt index 6dc6054aee3..99d2cfcab02 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121910.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121910.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS121910 -RECORD_TITLE: Quercetin-3,4'-O-di-beta-glucopyranoside, Quercetin 3,4'-diglucoside, Que 3,4'-di-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3,4'-O-di-beta-glucopyranoside, Quercetin 3,4'-diglucoside, Que 3,4'-di-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5320835 CH$LINK: INCHIKEY RPVIQWDFJPYNJM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121911.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121911.txt index 8de9ec672b6..99104d97c7a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121911.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121911.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS121911 -RECORD_TITLE: Quercetin-3,4'-O-di-beta-glucopyranoside, Quercetin 3,4'-diglucoside, Que 3,4'-di-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3,4'-O-di-beta-glucopyranoside, Quercetin 3,4'-diglucoside, Que 3,4'-di-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5320835 CH$LINK: INCHIKEY RPVIQWDFJPYNJM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121912.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121912.txt index 3310eff4bbd..9905d2b388b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121912.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS121912.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS121912 -RECORD_TITLE: Quercetin-3,4'-O-di-beta-glucopyranoside, Quercetin 3,4'-diglucoside, Que 3,4'-di-Glc; LC-ESI-QQ; MS2 +RECORD_TITLE: Quercetin-3,4'-O-di-beta-glucopyranoside, Quercetin 3,4'-diglucoside, Que 3,4'-di-Glc; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5320835 CH$LINK: INCHIKEY RPVIQWDFJPYNJM-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001111; Organic compounds; Phenylpropanoids and polyketides; Flavonoids; Flavonoid glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122901.txt index aca5808765d..a57e5375b8c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS122901 -RECORD_TITLE: E-Astringin, E-3,4,5'-trihydroxy-3'-glucopyranosylstilbene; LC-ESI-QQ; MS2 +RECORD_TITLE: E-Astringin, E-3,4,5'-trihydroxy-3'-glucopyranosylstilbene; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5281712 CH$LINK: INCHIKEY PERPNFLGJXUDDW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000142; Organic compounds; Phenylpropanoids and polyketides; Stilbenes; Stilbene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122902.txt index f70f44e27be..b3c44e70f23 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS122902 -RECORD_TITLE: E-Astringin, E-3,4,5'-trihydroxy-3'-glucopyranosylstilbene; LC-ESI-QQ; MS2 +RECORD_TITLE: E-Astringin, E-3,4,5'-trihydroxy-3'-glucopyranosylstilbene; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5281712 CH$LINK: INCHIKEY PERPNFLGJXUDDW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000142; Organic compounds; Phenylpropanoids and polyketides; Stilbenes; Stilbene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122903.txt index 7a0f3d2a444..bbb18063666 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS122903 -RECORD_TITLE: E-Astringin, E-3,4,5'-trihydroxy-3'-glucopyranosylstilbene; LC-ESI-QQ; MS2 +RECORD_TITLE: E-Astringin, E-3,4,5'-trihydroxy-3'-glucopyranosylstilbene; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5281712 CH$LINK: INCHIKEY PERPNFLGJXUDDW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000142; Organic compounds; Phenylpropanoids and polyketides; Stilbenes; Stilbene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122907.txt index 0489af4c9d4..d0b65853899 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS122907 -RECORD_TITLE: E-Astringin, E-3,4,5'-trihydroxy-3'-glucopyranosylstilbene; LC-ESI-QQ; MS2 +RECORD_TITLE: E-Astringin, E-3,4,5'-trihydroxy-3'-glucopyranosylstilbene; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5281712 CH$LINK: INCHIKEY PERPNFLGJXUDDW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000142; Organic compounds; Phenylpropanoids and polyketides; Stilbenes; Stilbene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122908.txt index 6de59774fb2..10ac5ed97c4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS122908 -RECORD_TITLE: E-Astringin, E-3,4,5'-trihydroxy-3'-glucopyranosylstilbene; LC-ESI-QQ; MS2 +RECORD_TITLE: E-Astringin, E-3,4,5'-trihydroxy-3'-glucopyranosylstilbene; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5281712 CH$LINK: INCHIKEY PERPNFLGJXUDDW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000142; Organic compounds; Phenylpropanoids and polyketides; Stilbenes; Stilbene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122909.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122909.txt index ffc0d4f1a43..bf7929db1d0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122909.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS122909 -RECORD_TITLE: E-Astringin, E-3,4,5'-trihydroxy-3'-glucopyranosylstilbene; LC-ESI-QQ; MS2 +RECORD_TITLE: E-Astringin, E-3,4,5'-trihydroxy-3'-glucopyranosylstilbene; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5281712 CH$LINK: INCHIKEY PERPNFLGJXUDDW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000142; Organic compounds; Phenylpropanoids and polyketides; Stilbenes; Stilbene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122910.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122910.txt index 6ad3829b9c8..8209a5ef294 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122910.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122910.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS122910 -RECORD_TITLE: E-Astringin, E-3,4,5'-trihydroxy-3'-glucopyranosylstilbene; LC-ESI-QQ; MS2 +RECORD_TITLE: E-Astringin, E-3,4,5'-trihydroxy-3'-glucopyranosylstilbene; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5281712 CH$LINK: INCHIKEY PERPNFLGJXUDDW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000142; Organic compounds; Phenylpropanoids and polyketides; Stilbenes; Stilbene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122911.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122911.txt index dce84ce7321..4f2262f2780 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122911.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS122911.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS122911 -RECORD_TITLE: E-Astringin, E-3,4,5'-trihydroxy-3'-glucopyranosylstilbene; LC-ESI-QQ; MS2 +RECORD_TITLE: E-Astringin, E-3,4,5'-trihydroxy-3'-glucopyranosylstilbene; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5281712 CH$LINK: INCHIKEY PERPNFLGJXUDDW-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000142; Organic compounds; Phenylpropanoids and polyketides; Stilbenes; Stilbene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123001.txt index 4ecbb5304ce..b94844931f1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123001 -RECORD_TITLE: E-Isorhapontin, E-4,5'-dihydroxy-3-methoxy-3'-glucopyranosylstilbene; LC-ESI-QQ; MS2 +RECORD_TITLE: E-Isorhapontin, E-4,5'-dihydroxy-3-methoxy-3'-glucopyranosylstilbene; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5281716 CH$LINK: INCHIKEY KLPUXMNQDCUPNO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000142; Organic compounds; Phenylpropanoids and polyketides; Stilbenes; Stilbene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123002.txt index 693da28a823..628ecd4d06d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123002 -RECORD_TITLE: E-Isorhapontin, E-4,5'-dihydroxy-3-methoxy-3'-glucopyranosylstilbene; LC-ESI-QQ; MS2 +RECORD_TITLE: E-Isorhapontin, E-4,5'-dihydroxy-3-methoxy-3'-glucopyranosylstilbene; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5281716 CH$LINK: INCHIKEY KLPUXMNQDCUPNO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000142; Organic compounds; Phenylpropanoids and polyketides; Stilbenes; Stilbene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123003.txt index 76c2d6b85ec..5bfc334a7ca 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123003 -RECORD_TITLE: E-Isorhapontin, E-4,5'-dihydroxy-3-methoxy-3'-glucopyranosylstilbene; LC-ESI-QQ; MS2 +RECORD_TITLE: E-Isorhapontin, E-4,5'-dihydroxy-3-methoxy-3'-glucopyranosylstilbene; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5281716 CH$LINK: INCHIKEY KLPUXMNQDCUPNO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000142; Organic compounds; Phenylpropanoids and polyketides; Stilbenes; Stilbene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123007.txt index 1933ca07cc0..3c30749839e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123007 -RECORD_TITLE: E-Isorhapontin, E-4,5'-dihydroxy-3-methoxy-3'-glucopyranosylstilbene; LC-ESI-QQ; MS2 +RECORD_TITLE: E-Isorhapontin, E-4,5'-dihydroxy-3-methoxy-3'-glucopyranosylstilbene; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5281716 CH$LINK: INCHIKEY KLPUXMNQDCUPNO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000142; Organic compounds; Phenylpropanoids and polyketides; Stilbenes; Stilbene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123008.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123008.txt index 25124faeda6..8aca921b513 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123008.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123008 -RECORD_TITLE: E-Isorhapontin, E-4,5'-dihydroxy-3-methoxy-3'-glucopyranosylstilbene; LC-ESI-QQ; MS2 +RECORD_TITLE: E-Isorhapontin, E-4,5'-dihydroxy-3-methoxy-3'-glucopyranosylstilbene; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5281716 CH$LINK: INCHIKEY KLPUXMNQDCUPNO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000142; Organic compounds; Phenylpropanoids and polyketides; Stilbenes; Stilbene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123009.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123009.txt index 72c4603580b..71914eaf4a1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123009.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123009 -RECORD_TITLE: E-Isorhapontin, E-4,5'-dihydroxy-3-methoxy-3'-glucopyranosylstilbene; LC-ESI-QQ; MS2 +RECORD_TITLE: E-Isorhapontin, E-4,5'-dihydroxy-3-methoxy-3'-glucopyranosylstilbene; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5281716 CH$LINK: INCHIKEY KLPUXMNQDCUPNO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000142; Organic compounds; Phenylpropanoids and polyketides; Stilbenes; Stilbene glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123201.txt index 976f5e6152a..52cf9b8c4b7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123201 -RECORD_TITLE: 6-Deoxy-alpha-L-galactose phosphate, alpha-L-(-)-Fucose 1-phosphate bis(cyclohexylammonium) salt , alpha-Fuc-1P, alpha-Fucopyranosyl phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-Deoxy-alpha-L-galactose phosphate, alpha-L-(-)-Fucose 1-phosphate bis(cyclohexylammonium) salt , alpha-Fuc-1P, alpha-Fucopyranosyl phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439397 CH$LINK: INCHIKEY PTVXQARCLQPGIR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123202.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123202.txt index cdc5a00e465..469989468c1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123202.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123202 -RECORD_TITLE: 6-Deoxy-alpha-L-galactose phosphate, alpha-L-(-)-Fucose 1-phosphate bis(cyclohexylammonium) salt , alpha-Fuc-1P, alpha-Fucopyranosyl phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-Deoxy-alpha-L-galactose phosphate, alpha-L-(-)-Fucose 1-phosphate bis(cyclohexylammonium) salt , alpha-Fuc-1P, alpha-Fucopyranosyl phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439397 CH$LINK: INCHIKEY PTVXQARCLQPGIR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123207.txt index 50e4e2fa95a..c6a11085659 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123207 -RECORD_TITLE: 6-Deoxy-alpha-L-galactose phosphate, alpha-L-(-)-Fucose 1-phosphate bis(cyclohexylammonium) salt , alpha-Fuc-1P, alpha-Fucopyranosyl phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-Deoxy-alpha-L-galactose phosphate, alpha-L-(-)-Fucose 1-phosphate bis(cyclohexylammonium) salt , alpha-Fuc-1P, alpha-Fucopyranosyl phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439397 CH$LINK: INCHIKEY PTVXQARCLQPGIR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123208.txt index 4b27b603a75..ef4c4acd9f9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123208 -RECORD_TITLE: 6-Deoxy-alpha-L-galactose phosphate, alpha-L-(-)-Fucose 1-phosphate bis(cyclohexylammonium) salt , alpha-Fuc-1P, alpha-Fucopyranosyl phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-Deoxy-alpha-L-galactose phosphate, alpha-L-(-)-Fucose 1-phosphate bis(cyclohexylammonium) salt , alpha-Fuc-1P, alpha-Fucopyranosyl phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439397 CH$LINK: INCHIKEY PTVXQARCLQPGIR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123209.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123209.txt index 06842f434a5..158ddf56cda 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123209.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123209 -RECORD_TITLE: 6-Deoxy-alpha-L-galactose phosphate, alpha-L-(-)-Fucose 1-phosphate bis(cyclohexylammonium) salt , alpha-Fuc-1P, alpha-Fucopyranosyl phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-Deoxy-alpha-L-galactose phosphate, alpha-L-(-)-Fucose 1-phosphate bis(cyclohexylammonium) salt , alpha-Fuc-1P, alpha-Fucopyranosyl phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439397 CH$LINK: INCHIKEY PTVXQARCLQPGIR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123301.txt index bfbbc92ae30..8d53737dddb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123301 -RECORD_TITLE: Gal-1P, alpha-D-Galactopyranosyl 1-phosphate dipotassium salt, alpha-D-Galactose-1-phosphate Dipotassium Salt, Galactose-1P; LC-ESI-QQ; MS2 +RECORD_TITLE: Gal-1P, alpha-D-Galactopyranosyl 1-phosphate dipotassium salt, alpha-D-Galactose-1-phosphate Dipotassium Salt, Galactose-1P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:123912 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123306.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123306.txt index 88b7ab60b6b..844f697a7d3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123306.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123306.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123306 -RECORD_TITLE: Gal-1P, alpha-D-Galactopyranosyl 1-phosphate dipotassium salt, alpha-D-Galactose-1-phosphate Dipotassium Salt, Galactose-1P; LC-ESI-QQ; MS2 +RECORD_TITLE: Gal-1P, alpha-D-Galactopyranosyl 1-phosphate dipotassium salt, alpha-D-Galactose-1-phosphate Dipotassium Salt, Galactose-1P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:123912 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123307.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123307.txt index 1994224c661..34ec8405d47 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123307.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123307.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123307 -RECORD_TITLE: Gal-1P, alpha-D-Galactopyranosyl 1-phosphate dipotassium salt, alpha-D-Galactose-1-phosphate Dipotassium Salt, Galactose-1P; LC-ESI-QQ; MS2 +RECORD_TITLE: Gal-1P, alpha-D-Galactopyranosyl 1-phosphate dipotassium salt, alpha-D-Galactose-1-phosphate Dipotassium Salt, Galactose-1P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:123912 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123308.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123308.txt index 7092825c63e..385e6e03e0b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123308.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123308.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123308 -RECORD_TITLE: Gal-1P, alpha-D-Galactopyranosyl 1-phosphate dipotassium salt, alpha-D-Galactose-1-phosphate Dipotassium Salt, Galactose-1P; LC-ESI-QQ; MS2 +RECORD_TITLE: Gal-1P, alpha-D-Galactopyranosyl 1-phosphate dipotassium salt, alpha-D-Galactose-1-phosphate Dipotassium Salt, Galactose-1P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:123912 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123310.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123310.txt index 43c2c503301..bc52a4afaf6 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123310.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123310.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123310 -RECORD_TITLE: Gal-1P, alpha-D-Galactopyranosyl 1-phosphate dipotassium salt, alpha-D-Galactose-1-phosphate Dipotassium Salt, Galactose-1P; LC-ESI-QQ; MS2 +RECORD_TITLE: Gal-1P, alpha-D-Galactopyranosyl 1-phosphate dipotassium salt, alpha-D-Galactose-1-phosphate Dipotassium Salt, Galactose-1P; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:123912 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123401.txt index f6b2f2a9d50..81c0d6bc8c8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123401 -RECORD_TITLE: alpha-D(+)Mannose 1-phosphate bis(cyclohexylammonium) salt, alpha-Man-1P, alpha-D-Mannopyranosyl phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D(+)Mannose 1-phosphate bis(cyclohexylammonium) salt, alpha-Man-1P, alpha-D-Mannopyranosyl phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439279 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123402.txt index 5cf60bebc85..2f967b2ceb5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123402 -RECORD_TITLE: alpha-D(+)Mannose 1-phosphate bis(cyclohexylammonium) salt, alpha-Man-1P, alpha-D-Mannopyranosyl phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D(+)Mannose 1-phosphate bis(cyclohexylammonium) salt, alpha-Man-1P, alpha-D-Mannopyranosyl phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439279 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123407.txt index f00db71ee8e..6f85165e553 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123407 -RECORD_TITLE: alpha-D(+)Mannose 1-phosphate bis(cyclohexylammonium) salt, alpha-Man-1P, alpha-D-Mannopyranosyl phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D(+)Mannose 1-phosphate bis(cyclohexylammonium) salt, alpha-Man-1P, alpha-D-Mannopyranosyl phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439279 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123408.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123408.txt index 2eecb8c6f28..884443d00fd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123408.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123408.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123408 -RECORD_TITLE: alpha-D(+)Mannose 1-phosphate bis(cyclohexylammonium) salt, alpha-Man-1P, alpha-D-Mannopyranosyl phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D(+)Mannose 1-phosphate bis(cyclohexylammonium) salt, alpha-Man-1P, alpha-D-Mannopyranosyl phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439279 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123409.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123409.txt index a459f8430cb..a0e0ac9951b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123409.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123409.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123409 -RECORD_TITLE: alpha-D(+)Mannose 1-phosphate bis(cyclohexylammonium) salt, alpha-Man-1P, alpha-D-Mannopyranosyl phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D(+)Mannose 1-phosphate bis(cyclohexylammonium) salt, alpha-Man-1P, alpha-D-Mannopyranosyl phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439279 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123411.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123411.txt index b51fdfb7b71..07ce28ca4e0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123411.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123411.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123411 -RECORD_TITLE: alpha-D(+)Mannose 1-phosphate bis(cyclohexylammonium) salt, alpha-Man-1P, alpha-D-Mannopyranosyl phosphate; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-D(+)Mannose 1-phosphate bis(cyclohexylammonium) salt, alpha-Man-1P, alpha-D-Mannopyranosyl phosphate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439279 CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123601.txt index c7c4404ad28..ecc3b48dbae 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123601 -RECORD_TITLE: Gaultheria oil, Wintergreen oil, Pyrola, Methyl Salicylate, Methyl 2-hydroxybenzoate, Gaultheriaoel, Panalgesic, 2-Hydroxybenzoic acid methyl ester, Oil of wintergreen; LC-ESI-QQ; MS2 +RECORD_TITLE: Gaultheria oil, Wintergreen oil, Pyrola, Methyl Salicylate, Methyl 2-hydroxybenzoate, Gaultheriaoel, Panalgesic, 2-Hydroxybenzoic acid methyl ester, Oil of wintergreen; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:4133 CH$LINK: INCHIKEY OSWPMRLSEDHDFF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123801.txt index 6e62d4b1ec4..ec104572450 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123801 -RECORD_TITLE: L-Ethionine, Eth, L-2-Amino-4-(ethylthio)butyric acid, S-ethyl-L-homocysteine, Et-homoCys; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Ethionine, Eth, L-2-Amino-4-(ethylthio)butyric acid, S-ethyl-L-homocysteine, Et-homoCys; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:25674 CH$LINK: INCHIKEY GGLZPLKKBSSKCX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123802.txt index 621d79e785d..e694e57fdb3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123802 -RECORD_TITLE: L-Ethionine, Eth, L-2-Amino-4-(ethylthio)butyric acid, S-ethyl-L-homocysteine, Et-homoCys; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Ethionine, Eth, L-2-Amino-4-(ethylthio)butyric acid, S-ethyl-L-homocysteine, Et-homoCys; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:25674 CH$LINK: INCHIKEY GGLZPLKKBSSKCX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123803.txt index 5142c95f523..36703a422bb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123803 -RECORD_TITLE: L-Ethionine, Eth, L-2-Amino-4-(ethylthio)butyric acid, S-ethyl-L-homocysteine, Et-homoCys; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Ethionine, Eth, L-2-Amino-4-(ethylthio)butyric acid, S-ethyl-L-homocysteine, Et-homoCys; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:25674 CH$LINK: INCHIKEY GGLZPLKKBSSKCX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123804.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123804.txt index b34c70c5506..25ce2db36b3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123804.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123804.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123804 -RECORD_TITLE: L-Ethionine, Eth, L-2-Amino-4-(ethylthio)butyric acid, S-ethyl-L-homocysteine, Et-homoCys; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Ethionine, Eth, L-2-Amino-4-(ethylthio)butyric acid, S-ethyl-L-homocysteine, Et-homoCys; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:25674 CH$LINK: INCHIKEY GGLZPLKKBSSKCX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123901.txt index d68ad71d934..fc85c87fdf8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123901 -RECORD_TITLE: o-Anisic Acid, 2-Methoxybenzoic acid, O-Methylsalicylic acid, 2-Anisic acid, Anisol-2-carboxylic Acid, Salicylic acid methyl ether; LC-ESI-QQ; MS2 +RECORD_TITLE: o-Anisic Acid, 2-Methoxybenzoic acid, O-Methylsalicylic acid, 2-Anisic acid, Anisol-2-carboxylic Acid, Salicylic acid methyl ether; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:11370 CH$LINK: INCHIKEY ILUJQPXNXACGAN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123902.txt index cf88974b7ae..833b7487ab3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123902 -RECORD_TITLE: o-Anisic Acid, 2-Methoxybenzoic acid, O-Methylsalicylic acid, 2-Anisic acid, Anisol-2-carboxylic Acid, Salicylic acid methyl ether; LC-ESI-QQ; MS2 +RECORD_TITLE: o-Anisic Acid, 2-Methoxybenzoic acid, O-Methylsalicylic acid, 2-Anisic acid, Anisol-2-carboxylic Acid, Salicylic acid methyl ether; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:11370 CH$LINK: INCHIKEY ILUJQPXNXACGAN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123903.txt index 863b01d5446..6090dae0f80 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123903 -RECORD_TITLE: o-Anisic Acid, 2-Methoxybenzoic acid, O-Methylsalicylic acid, 2-Anisic acid, Anisol-2-carboxylic Acid, Salicylic acid methyl ether; LC-ESI-QQ; MS2 +RECORD_TITLE: o-Anisic Acid, 2-Methoxybenzoic acid, O-Methylsalicylic acid, 2-Anisic acid, Anisol-2-carboxylic Acid, Salicylic acid methyl ether; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:11370 CH$LINK: INCHIKEY ILUJQPXNXACGAN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123904.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123904.txt index 8d68b951dfd..cab4de8a92f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123904.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS123904.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS123904 -RECORD_TITLE: o-Anisic Acid, 2-Methoxybenzoic acid, O-Methylsalicylic acid, 2-Anisic acid, Anisol-2-carboxylic Acid, Salicylic acid methyl ether; LC-ESI-QQ; MS2 +RECORD_TITLE: o-Anisic Acid, 2-Methoxybenzoic acid, O-Methylsalicylic acid, 2-Anisic acid, Anisol-2-carboxylic Acid, Salicylic acid methyl ether; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:11370 CH$LINK: INCHIKEY ILUJQPXNXACGAN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124001.txt index a5fda826309..67544cbf61b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS124001 -RECORD_TITLE: 3alpha,12alpha-Dihydroxy-5beta-cholanate, Deoxycholic Acid, Sodium Deoxycholate, 3alpha,12alpha-Dihydroxy-5beta-cholanic acid, desoxycholate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3alpha,12alpha-Dihydroxy-5beta-cholanate, Deoxycholic Acid, Sodium Deoxycholate, 3alpha,12alpha-Dihydroxy-5beta-cholanic acid, desoxycholate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:440355 CH$LINK: INCHIKEY KXGVEGMKQFWNSR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124002.txt index 8b7f94afd31..e30c45850ad 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS124002 -RECORD_TITLE: 3alpha,12alpha-Dihydroxy-5beta-cholanate, Deoxycholic Acid, Sodium Deoxycholate, 3alpha,12alpha-Dihydroxy-5beta-cholanic acid, desoxycholate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3alpha,12alpha-Dihydroxy-5beta-cholanate, Deoxycholic Acid, Sodium Deoxycholate, 3alpha,12alpha-Dihydroxy-5beta-cholanic acid, desoxycholate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:440355 CH$LINK: INCHIKEY KXGVEGMKQFWNSR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124007.txt index 42e378b70da..7306a0ba7c0 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS124007 -RECORD_TITLE: 3alpha,12alpha-Dihydroxy-5beta-cholanate, Deoxycholic Acid, Sodium Deoxycholate, 3alpha,12alpha-Dihydroxy-5beta-cholanic acid, desoxycholate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3alpha,12alpha-Dihydroxy-5beta-cholanate, Deoxycholic Acid, Sodium Deoxycholate, 3alpha,12alpha-Dihydroxy-5beta-cholanic acid, desoxycholate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:440355 CH$LINK: INCHIKEY KXGVEGMKQFWNSR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124008.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124008.txt index fc23cdd1b0b..4d71e6cb416 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124008.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS124008 -RECORD_TITLE: 3alpha,12alpha-Dihydroxy-5beta-cholanate, Deoxycholic Acid, Sodium Deoxycholate, 3alpha,12alpha-Dihydroxy-5beta-cholanic acid, desoxycholate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3alpha,12alpha-Dihydroxy-5beta-cholanate, Deoxycholic Acid, Sodium Deoxycholate, 3alpha,12alpha-Dihydroxy-5beta-cholanic acid, desoxycholate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:440355 CH$LINK: INCHIKEY KXGVEGMKQFWNSR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124009.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124009.txt index 112f255b39b..c03995b38b7 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124009.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS124009 -RECORD_TITLE: 3alpha,12alpha-Dihydroxy-5beta-cholanate, Deoxycholic Acid, Sodium Deoxycholate, 3alpha,12alpha-Dihydroxy-5beta-cholanic acid, desoxycholate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3alpha,12alpha-Dihydroxy-5beta-cholanate, Deoxycholic Acid, Sodium Deoxycholate, 3alpha,12alpha-Dihydroxy-5beta-cholanic acid, desoxycholate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:440355 CH$LINK: INCHIKEY KXGVEGMKQFWNSR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124010.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124010.txt index 8b6f1aafac7..c8f089c57f3 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124010.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124010.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS124010 -RECORD_TITLE: 3alpha,12alpha-Dihydroxy-5beta-cholanate, Deoxycholic Acid, Sodium Deoxycholate, 3alpha,12alpha-Dihydroxy-5beta-cholanic acid, desoxycholate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3alpha,12alpha-Dihydroxy-5beta-cholanate, Deoxycholic Acid, Sodium Deoxycholate, 3alpha,12alpha-Dihydroxy-5beta-cholanic acid, desoxycholate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:440355 CH$LINK: INCHIKEY KXGVEGMKQFWNSR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124011.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124011.txt index b76983fa15c..e28802cb3bf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124011.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124011.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS124011 -RECORD_TITLE: 3alpha,12alpha-Dihydroxy-5beta-cholanate, Deoxycholic Acid, Sodium Deoxycholate, 3alpha,12alpha-Dihydroxy-5beta-cholanic acid, desoxycholate; LC-ESI-QQ; MS2 +RECORD_TITLE: 3alpha,12alpha-Dihydroxy-5beta-cholanate, Deoxycholic Acid, Sodium Deoxycholate, 3alpha,12alpha-Dihydroxy-5beta-cholanic acid, desoxycholate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -28,7 +28,7 @@ CH$LINK: PUBCHEM CID:440355 CH$LINK: INCHIKEY KXGVEGMKQFWNSR-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001445; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Bile acids, alcohols and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124101.txt index 5e0b5c630f8..a90ebb3fe92 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS124101 -RECORD_TITLE: all-trans-Retinoic Acid, Aknoten, All-trans-Vitamin A acid, beta-RA, ATRA, Resinoid Acid, Cordes vas, all-trans-Retinoate, Eudyna, Epi-aberel, Retin-A, Tretinoin, 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid, Effederm, Dermairol, Airol, Aberel, Tretin M; LC-ESI-QQ; MS2 +RECORD_TITLE: all-trans-Retinoic Acid, Aknoten, All-trans-Vitamin A acid, beta-RA, ATRA, Resinoid Acid, Cordes vas, all-trans-Retinoate, Eudyna, Epi-aberel, Retin-A, Tretinoin, 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid, Effederm, Dermairol, Airol, Aberel, Tretin M; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -41,7 +41,7 @@ CH$LINK: PUBCHEM CID:444795 CH$LINK: INCHIKEY SHGAZHPCJJPHSC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001606; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124102.txt index d9ed803709b..e1fcec2dc5e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS124102 -RECORD_TITLE: all-trans-Retinoic Acid, Aknoten, All-trans-Vitamin A acid, beta-RA, ATRA, Resinoid Acid, Cordes vas, all-trans-Retinoate, Eudyna, Epi-aberel, Retin-A, Tretinoin, 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid, Effederm, Dermairol, Airol, Aberel, Tretin M; LC-ESI-QQ; MS2 +RECORD_TITLE: all-trans-Retinoic Acid, Aknoten, All-trans-Vitamin A acid, beta-RA, ATRA, Resinoid Acid, Cordes vas, all-trans-Retinoate, Eudyna, Epi-aberel, Retin-A, Tretinoin, 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid, Effederm, Dermairol, Airol, Aberel, Tretin M; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -41,7 +41,7 @@ CH$LINK: PUBCHEM CID:444795 CH$LINK: INCHIKEY SHGAZHPCJJPHSC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001606; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124201.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124201.txt index a8759992218..e1905f31163 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124201.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS124201 -RECORD_TITLE: Retinol , Vitamin A alcohol, Afaxin, Axerophthol, Anatola, Avibon, Vitamin A1, ACON, Epiteliol, Agiolan, Aquasynth, Alphalin, Ophthalamin, Alphasterol, all-trans-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol, ATAV; LC-ESI-QQ; MS2 +RECORD_TITLE: Retinol , Vitamin A alcohol, Afaxin, Axerophthol, Anatola, Avibon, Vitamin A1, ACON, Epiteliol, Agiolan, Aquasynth, Alphalin, Ophthalamin, Alphasterol, all-trans-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol, ATAV; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -39,7 +39,7 @@ CH$LINK: PUBCHEM CID:445354 CH$LINK: INCHIKEY FPIPGXGPPPQFEQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001606; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124204.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124204.txt index ef3a50f1ff4..ff3667f3eb5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124204.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS124204 -RECORD_TITLE: Retinol , Vitamin A alcohol, Afaxin, Axerophthol, Anatola, Avibon, Vitamin A1, ACON, Epiteliol, Agiolan, Aquasynth, Alphalin, Ophthalamin, Alphasterol, all-trans-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol, ATAV; LC-ESI-QQ; MS2 +RECORD_TITLE: Retinol , Vitamin A alcohol, Afaxin, Axerophthol, Anatola, Avibon, Vitamin A1, ACON, Epiteliol, Agiolan, Aquasynth, Alphalin, Ophthalamin, Alphasterol, all-trans-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraen-1-ol, ATAV; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -39,7 +39,7 @@ CH$LINK: PUBCHEM CID:445354 CH$LINK: INCHIKEY FPIPGXGPPPQFEQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001606; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Retinoids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124502.txt index 672743c90a6..32ad5e02435 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS124502 -RECORD_TITLE: 6-alpha-D-Galactopyranosyl-D-glucopyranose, Gal(alpha1-6)Glc, alpha-D-Melibiose hydrate, Melibiose; LC-ESI-QQ; MS2 +RECORD_TITLE: 6-alpha-D-Galactopyranosyl-D-glucopyranose, Gal(alpha1-6)Glc, alpha-D-Melibiose hydrate, Melibiose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:440658 CH$LINK: INCHIKEY DLRVVLDZNNYCBX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124610.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124610.txt index e58f84dcfb5..c5f67681ff2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124610.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124610.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS124610 -RECORD_TITLE: Isomaltulose, Palatinose Monohydrate, Glc(alpha1-6)Fru, 6-O-alpha-D-glucopyranosyl-D-fructose; LC-ESI-QQ; MS2 +RECORD_TITLE: Isomaltulose, Palatinose Monohydrate, Glc(alpha1-6)Fru, 6-O-alpha-D-glucopyranosyl-D-fructose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:439559 CH$LINK: INCHIKEY PVXPPJIGRGXGCY-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124801.txt index bc20c4c6f13..ee7e3dea734 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS124801 -RECORD_TITLE: Scopoletin, Escopoletin, Methylesculetin, Scopoletol, Esculetin-6-methyl ether, 7-Hydroxy-5-methoxycoumarin, Murrayetin, 6-Methoxy-7-hydroxycoumarin, Chrysatropic acid, 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one, Gelseminic acid, beta-Methylesculetin, 6-Methoxyumbelliferone, Scopoletine; LC-ESI-QQ; MS2 +RECORD_TITLE: Scopoletin, Escopoletin, Methylesculetin, Scopoletol, Esculetin-6-methyl ether, 7-Hydroxy-5-methoxycoumarin, Murrayetin, 6-Methoxy-7-hydroxycoumarin, Chrysatropic acid, 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one, Gelseminic acid, beta-Methylesculetin, 6-Methoxyumbelliferone, Scopoletine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -37,7 +37,7 @@ CH$LINK: PUBCHEM CID:5280460 CH$LINK: INCHIKEY RODXRVNMMDRFIK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124802.txt index c80f4b54d41..472aa5165d4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS124802 -RECORD_TITLE: Scopoletin, Escopoletin, Methylesculetin, Scopoletol, Esculetin-6-methyl ether, 7-Hydroxy-5-methoxycoumarin, Murrayetin, 6-Methoxy-7-hydroxycoumarin, Chrysatropic acid, 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one, Gelseminic acid, beta-Methylesculetin, 6-Methoxyumbelliferone, Scopoletine; LC-ESI-QQ; MS2 +RECORD_TITLE: Scopoletin, Escopoletin, Methylesculetin, Scopoletol, Esculetin-6-methyl ether, 7-Hydroxy-5-methoxycoumarin, Murrayetin, 6-Methoxy-7-hydroxycoumarin, Chrysatropic acid, 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one, Gelseminic acid, beta-Methylesculetin, 6-Methoxyumbelliferone, Scopoletine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -37,7 +37,7 @@ CH$LINK: PUBCHEM CID:5280460 CH$LINK: INCHIKEY RODXRVNMMDRFIK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124803.txt index 52e6bb8f36f..6fabe7c3736 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS124803 -RECORD_TITLE: Scopoletin, Escopoletin, Methylesculetin, Scopoletol, Esculetin-6-methyl ether, 7-Hydroxy-5-methoxycoumarin, Murrayetin, 6-Methoxy-7-hydroxycoumarin, Chrysatropic acid, 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one, Gelseminic acid, beta-Methylesculetin, 6-Methoxyumbelliferone, Scopoletine; LC-ESI-QQ; MS2 +RECORD_TITLE: Scopoletin, Escopoletin, Methylesculetin, Scopoletol, Esculetin-6-methyl ether, 7-Hydroxy-5-methoxycoumarin, Murrayetin, 6-Methoxy-7-hydroxycoumarin, Chrysatropic acid, 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one, Gelseminic acid, beta-Methylesculetin, 6-Methoxyumbelliferone, Scopoletine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -37,7 +37,7 @@ CH$LINK: PUBCHEM CID:5280460 CH$LINK: INCHIKEY RODXRVNMMDRFIK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124807.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124807.txt index 42fc50decd9..589495f0da5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124807.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124807.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS124807 -RECORD_TITLE: Scopoletin, Escopoletin, Methylesculetin, Scopoletol, Esculetin-6-methyl ether, 7-Hydroxy-5-methoxycoumarin, Murrayetin, 6-Methoxy-7-hydroxycoumarin, Chrysatropic acid, 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one, Gelseminic acid, beta-Methylesculetin, 6-Methoxyumbelliferone, Scopoletine; LC-ESI-QQ; MS2 +RECORD_TITLE: Scopoletin, Escopoletin, Methylesculetin, Scopoletol, Esculetin-6-methyl ether, 7-Hydroxy-5-methoxycoumarin, Murrayetin, 6-Methoxy-7-hydroxycoumarin, Chrysatropic acid, 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one, Gelseminic acid, beta-Methylesculetin, 6-Methoxyumbelliferone, Scopoletine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -37,7 +37,7 @@ CH$LINK: PUBCHEM CID:5280460 CH$LINK: INCHIKEY RODXRVNMMDRFIK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124808.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124808.txt index 8e01543b591..1f918ba312e 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124808.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124808.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS124808 -RECORD_TITLE: Scopoletin, Escopoletin, Methylesculetin, Scopoletol, Esculetin-6-methyl ether, 7-Hydroxy-5-methoxycoumarin, Murrayetin, 6-Methoxy-7-hydroxycoumarin, Chrysatropic acid, 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one, Gelseminic acid, beta-Methylesculetin, 6-Methoxyumbelliferone, Scopoletine; LC-ESI-QQ; MS2 +RECORD_TITLE: Scopoletin, Escopoletin, Methylesculetin, Scopoletol, Esculetin-6-methyl ether, 7-Hydroxy-5-methoxycoumarin, Murrayetin, 6-Methoxy-7-hydroxycoumarin, Chrysatropic acid, 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one, Gelseminic acid, beta-Methylesculetin, 6-Methoxyumbelliferone, Scopoletine; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -37,7 +37,7 @@ CH$LINK: PUBCHEM CID:5280460 CH$LINK: INCHIKEY RODXRVNMMDRFIK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124901.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124901.txt index c799384b9ab..36dde4fa476 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124901.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124901.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS124901 -RECORD_TITLE: Daphnetin, Daphnetol, 7,8-Dihydroxycoumarin; LC-ESI-QQ; MS2 +RECORD_TITLE: Daphnetin, Daphnetol, 7,8-Dihydroxycoumarin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280569 CH$LINK: INCHIKEY ATEFPOUAMCWAQS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124902.txt index 109e78fc971..a3457d09938 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS124902 -RECORD_TITLE: Daphnetin, Daphnetol, 7,8-Dihydroxycoumarin; LC-ESI-QQ; MS2 +RECORD_TITLE: Daphnetin, Daphnetol, 7,8-Dihydroxycoumarin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280569 CH$LINK: INCHIKEY ATEFPOUAMCWAQS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124903.txt index 8d4ff4d98bd..41d6fff551d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS124903 -RECORD_TITLE: Daphnetin, Daphnetol, 7,8-Dihydroxycoumarin; LC-ESI-QQ; MS2 +RECORD_TITLE: Daphnetin, Daphnetol, 7,8-Dihydroxycoumarin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280569 CH$LINK: INCHIKEY ATEFPOUAMCWAQS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124907.txt index bddca425879..59976b90c4a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS124907 -RECORD_TITLE: Daphnetin, Daphnetol, 7,8-Dihydroxycoumarin; LC-ESI-QQ; MS2 +RECORD_TITLE: Daphnetin, Daphnetol, 7,8-Dihydroxycoumarin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280569 CH$LINK: INCHIKEY ATEFPOUAMCWAQS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124908.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124908.txt index 6b288d31217..6ab6ffa61d8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124908.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124908.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS124908 -RECORD_TITLE: Daphnetin, Daphnetol, 7,8-Dihydroxycoumarin; LC-ESI-QQ; MS2 +RECORD_TITLE: Daphnetin, Daphnetol, 7,8-Dihydroxycoumarin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280569 CH$LINK: INCHIKEY ATEFPOUAMCWAQS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124909.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124909.txt index b8b92ca6cdc..9e5747a17be 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124909.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS124909.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS124909 -RECORD_TITLE: Daphnetin, Daphnetol, 7,8-Dihydroxycoumarin; LC-ESI-QQ; MS2 +RECORD_TITLE: Daphnetin, Daphnetol, 7,8-Dihydroxycoumarin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5280569 CH$LINK: INCHIKEY ATEFPOUAMCWAQS-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125001.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125001.txt index b14555fffa6..bd0216b6d70 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125001.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125001 -RECORD_TITLE: Esculetin, Esculin aglycon, Cichorigenin, 6,7-Dihydroxy-2H-1-benzopyran-2-one, Cichoriin aglycon, 6,7-Dihydroxycoumarin , 6,7-dihydroxy-2-benzopyrone, Aesculetin, Esculetol; LC-ESI-QQ; MS2 +RECORD_TITLE: Esculetin, Esculin aglycon, Cichorigenin, 6,7-Dihydroxy-2H-1-benzopyran-2-one, Cichoriin aglycon, 6,7-Dihydroxycoumarin , 6,7-dihydroxy-2-benzopyrone, Aesculetin, Esculetol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281416 CH$LINK: INCHIKEY ILEDWLMCKZNDJK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125002.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125002.txt index 35ab7ff9f96..68a4b7e6177 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125002.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125002 -RECORD_TITLE: Esculetin, Esculin aglycon, Cichorigenin, 6,7-Dihydroxy-2H-1-benzopyran-2-one, Cichoriin aglycon, 6,7-Dihydroxycoumarin , 6,7-dihydroxy-2-benzopyrone, Aesculetin, Esculetol; LC-ESI-QQ; MS2 +RECORD_TITLE: Esculetin, Esculin aglycon, Cichorigenin, 6,7-Dihydroxy-2H-1-benzopyran-2-one, Cichoriin aglycon, 6,7-Dihydroxycoumarin , 6,7-dihydroxy-2-benzopyrone, Aesculetin, Esculetol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281416 CH$LINK: INCHIKEY ILEDWLMCKZNDJK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125003.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125003.txt index 93411601beb..1589bebcfab 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125003.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125003 -RECORD_TITLE: Esculetin, Esculin aglycon, Cichorigenin, 6,7-Dihydroxy-2H-1-benzopyran-2-one, Cichoriin aglycon, 6,7-Dihydroxycoumarin , 6,7-dihydroxy-2-benzopyrone, Aesculetin, Esculetol; LC-ESI-QQ; MS2 +RECORD_TITLE: Esculetin, Esculin aglycon, Cichorigenin, 6,7-Dihydroxy-2H-1-benzopyran-2-one, Cichoriin aglycon, 6,7-Dihydroxycoumarin , 6,7-dihydroxy-2-benzopyrone, Aesculetin, Esculetol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281416 CH$LINK: INCHIKEY ILEDWLMCKZNDJK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125007.txt index 9930e7a59fb..e38e3bfee75 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125007 -RECORD_TITLE: Esculetin, Esculin aglycon, Cichorigenin, 6,7-Dihydroxy-2H-1-benzopyran-2-one, Cichoriin aglycon, 6,7-Dihydroxycoumarin , 6,7-dihydroxy-2-benzopyrone, Aesculetin, Esculetol; LC-ESI-QQ; MS2 +RECORD_TITLE: Esculetin, Esculin aglycon, Cichorigenin, 6,7-Dihydroxy-2H-1-benzopyran-2-one, Cichoriin aglycon, 6,7-Dihydroxycoumarin , 6,7-dihydroxy-2-benzopyrone, Aesculetin, Esculetol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281416 CH$LINK: INCHIKEY ILEDWLMCKZNDJK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125008.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125008.txt index d9dcbd6d814..6be899c148b 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125008.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125008 -RECORD_TITLE: Esculetin, Esculin aglycon, Cichorigenin, 6,7-Dihydroxy-2H-1-benzopyran-2-one, Cichoriin aglycon, 6,7-Dihydroxycoumarin , 6,7-dihydroxy-2-benzopyrone, Aesculetin, Esculetol; LC-ESI-QQ; MS2 +RECORD_TITLE: Esculetin, Esculin aglycon, Cichorigenin, 6,7-Dihydroxy-2H-1-benzopyran-2-one, Cichoriin aglycon, 6,7-Dihydroxycoumarin , 6,7-dihydroxy-2-benzopyrone, Aesculetin, Esculetol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281416 CH$LINK: INCHIKEY ILEDWLMCKZNDJK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125009.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125009.txt index 594ec4290ef..51c72488dcf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125009.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125009 -RECORD_TITLE: Esculetin, Esculin aglycon, Cichorigenin, 6,7-Dihydroxy-2H-1-benzopyran-2-one, Cichoriin aglycon, 6,7-Dihydroxycoumarin , 6,7-dihydroxy-2-benzopyrone, Aesculetin, Esculetol; LC-ESI-QQ; MS2 +RECORD_TITLE: Esculetin, Esculin aglycon, Cichorigenin, 6,7-Dihydroxy-2H-1-benzopyran-2-one, Cichoriin aglycon, 6,7-Dihydroxycoumarin , 6,7-dihydroxy-2-benzopyrone, Aesculetin, Esculetol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -32,7 +32,7 @@ CH$LINK: PUBCHEM CID:5281416 CH$LINK: INCHIKEY ILEDWLMCKZNDJK-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002908; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Hydroxycoumarins AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125101.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125101.txt index 8571e55f9da..4e8e34ca85f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125101.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125101 -RECORD_TITLE: 6,7-Dihydroxycoumarin-6-glucoside, Aesculinum, Esculetin-6-beta-D-glucopyranoside, Aesculin, Esculin sesquihydrate , Esculoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 6,7-Dihydroxycoumarin-6-glucoside, Aesculinum, Esculetin-6-beta-D-glucopyranoside, Aesculin, Esculin sesquihydrate , Esculoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281417 CH$LINK: INCHIKEY XHCADAYNFIFUHF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001743; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Coumarin glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125102.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125102.txt index ab83e43900e..5fea3e2e2c4 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125102.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125102 -RECORD_TITLE: 6,7-Dihydroxycoumarin-6-glucoside, Aesculinum, Esculetin-6-beta-D-glucopyranoside, Aesculin, Esculin sesquihydrate , Esculoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 6,7-Dihydroxycoumarin-6-glucoside, Aesculinum, Esculetin-6-beta-D-glucopyranoside, Aesculin, Esculin sesquihydrate , Esculoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281417 CH$LINK: INCHIKEY XHCADAYNFIFUHF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001743; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Coumarin glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125103.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125103.txt index d73980405be..6c7106a7f0f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125103.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125103 -RECORD_TITLE: 6,7-Dihydroxycoumarin-6-glucoside, Aesculinum, Esculetin-6-beta-D-glucopyranoside, Aesculin, Esculin sesquihydrate , Esculoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 6,7-Dihydroxycoumarin-6-glucoside, Aesculinum, Esculetin-6-beta-D-glucopyranoside, Aesculin, Esculin sesquihydrate , Esculoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281417 CH$LINK: INCHIKEY XHCADAYNFIFUHF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001743; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Coumarin glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125104.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125104.txt index 8657eee0ae9..01559199a32 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125104.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125104 -RECORD_TITLE: 6,7-Dihydroxycoumarin-6-glucoside, Aesculinum, Esculetin-6-beta-D-glucopyranoside, Aesculin, Esculin sesquihydrate , Esculoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 6,7-Dihydroxycoumarin-6-glucoside, Aesculinum, Esculetin-6-beta-D-glucopyranoside, Aesculin, Esculin sesquihydrate , Esculoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281417 CH$LINK: INCHIKEY XHCADAYNFIFUHF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001743; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Coumarin glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125105.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125105.txt index f731a3de382..2b71ac3afbc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125105.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125105 -RECORD_TITLE: 6,7-Dihydroxycoumarin-6-glucoside, Aesculinum, Esculetin-6-beta-D-glucopyranoside, Aesculin, Esculin sesquihydrate , Esculoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 6,7-Dihydroxycoumarin-6-glucoside, Aesculinum, Esculetin-6-beta-D-glucopyranoside, Aesculin, Esculin sesquihydrate , Esculoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281417 CH$LINK: INCHIKEY XHCADAYNFIFUHF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001743; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Coumarin glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125106.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125106.txt index 5eb284fb8e3..555fb49c039 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125106.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125106 -RECORD_TITLE: 6,7-Dihydroxycoumarin-6-glucoside, Aesculinum, Esculetin-6-beta-D-glucopyranoside, Aesculin, Esculin sesquihydrate , Esculoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 6,7-Dihydroxycoumarin-6-glucoside, Aesculinum, Esculetin-6-beta-D-glucopyranoside, Aesculin, Esculin sesquihydrate , Esculoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281417 CH$LINK: INCHIKEY XHCADAYNFIFUHF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001743; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Coumarin glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125107.txt index 5ad396d60f4..8757ab84b28 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125107 -RECORD_TITLE: 6,7-Dihydroxycoumarin-6-glucoside, Aesculinum, Esculetin-6-beta-D-glucopyranoside, Aesculin, Esculin sesquihydrate , Esculoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 6,7-Dihydroxycoumarin-6-glucoside, Aesculinum, Esculetin-6-beta-D-glucopyranoside, Aesculin, Esculin sesquihydrate , Esculoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281417 CH$LINK: INCHIKEY XHCADAYNFIFUHF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001743; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Coumarin glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125108.txt index 3bec0062f5f..d4c17647a26 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125108 -RECORD_TITLE: 6,7-Dihydroxycoumarin-6-glucoside, Aesculinum, Esculetin-6-beta-D-glucopyranoside, Aesculin, Esculin sesquihydrate , Esculoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 6,7-Dihydroxycoumarin-6-glucoside, Aesculinum, Esculetin-6-beta-D-glucopyranoside, Aesculin, Esculin sesquihydrate , Esculoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281417 CH$LINK: INCHIKEY XHCADAYNFIFUHF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001743; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Coumarin glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125109.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125109.txt index bbece68a93f..abea08215bf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125109.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125109 -RECORD_TITLE: 6,7-Dihydroxycoumarin-6-glucoside, Aesculinum, Esculetin-6-beta-D-glucopyranoside, Aesculin, Esculin sesquihydrate , Esculoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 6,7-Dihydroxycoumarin-6-glucoside, Aesculinum, Esculetin-6-beta-D-glucopyranoside, Aesculin, Esculin sesquihydrate , Esculoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281417 CH$LINK: INCHIKEY XHCADAYNFIFUHF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001743; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Coumarin glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125110.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125110.txt index 8126b362d73..40c3af38453 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125110.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125110.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125110 -RECORD_TITLE: 6,7-Dihydroxycoumarin-6-glucoside, Aesculinum, Esculetin-6-beta-D-glucopyranoside, Aesculin, Esculin sesquihydrate , Esculoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 6,7-Dihydroxycoumarin-6-glucoside, Aesculinum, Esculetin-6-beta-D-glucopyranoside, Aesculin, Esculin sesquihydrate , Esculoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281417 CH$LINK: INCHIKEY XHCADAYNFIFUHF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001743; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Coumarin glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125111.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125111.txt index 7d430487e8f..50fd5c1ce93 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125111.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125111.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125111 -RECORD_TITLE: 6,7-Dihydroxycoumarin-6-glucoside, Aesculinum, Esculetin-6-beta-D-glucopyranoside, Aesculin, Esculin sesquihydrate , Esculoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 6,7-Dihydroxycoumarin-6-glucoside, Aesculinum, Esculetin-6-beta-D-glucopyranoside, Aesculin, Esculin sesquihydrate , Esculoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281417 CH$LINK: INCHIKEY XHCADAYNFIFUHF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001743; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Coumarin glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125112.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125112.txt index e22df02c8f1..ba0942ed1e8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125112.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125112.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125112 -RECORD_TITLE: 6,7-Dihydroxycoumarin-6-glucoside, Aesculinum, Esculetin-6-beta-D-glucopyranoside, Aesculin, Esculin sesquihydrate , Esculoside; LC-ESI-QQ; MS2 +RECORD_TITLE: 6,7-Dihydroxycoumarin-6-glucoside, Aesculinum, Esculetin-6-beta-D-glucopyranoside, Aesculin, Esculin sesquihydrate , Esculoside; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -29,7 +29,7 @@ CH$LINK: PUBCHEM CID:5281417 CH$LINK: INCHIKEY XHCADAYNFIFUHF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001743; Organic compounds; Phenylpropanoids and polyketides; Coumarins and derivatives; Coumarin glycosides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125301.txt index 49c28aaecba..f1bc68874dc 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125301 -RECORD_TITLE: Crtron, Ostelin, Viosterin, Irradiated ergosterol, (5Z,7E,22E)-(3S)-9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol, Davitin, Metadee, Ertron, Rodinec, Drisdol, Oleovitamin D2, Calciferol, Mulsiferol, Daral, Viosterol, Condol, Ergorone, Crystallina, Osteil, Condacaps, Deratol, Hyperkil, Condocaps, Irradiated ergosta-5,7,22-trien-3-beta-ol, Ercalciol, Fortodyl, Mykostin, Vigantol, Ergocalciferol, Sterogyl, Vitamin D2, Deltalin, Diactol, Radsterin, Geltabs; LC-ESI-QQ; MS2 +RECORD_TITLE: Crtron, Ostelin, Viosterin, Irradiated ergosterol, (5Z,7E,22E)-(3S)-9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol, Davitin, Metadee, Ertron, Rodinec, Drisdol, Oleovitamin D2, Calciferol, Mulsiferol, Daral, Viosterol, Condol, Ergorone, Crystallina, Osteil, Condacaps, Deratol, Hyperkil, Condocaps, Irradiated ergosta-5,7,22-trien-3-beta-ol, Ercalciol, Fortodyl, Mykostin, Vigantol, Ergocalciferol, Sterogyl, Vitamin D2, Deltalin, Diactol, Radsterin, Geltabs; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -58,7 +58,7 @@ CH$LINK: PUBCHEM CID:5280793 CH$LINK: INCHIKEY MECHNRXZTMCUDQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001460; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125304.txt index abe79276a95..f196347ee11 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125304 -RECORD_TITLE: Crtron, Ostelin, Viosterin, Irradiated ergosterol, (5Z,7E,22E)-(3S)-9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol, Davitin, Metadee, Ertron, Rodinec, Drisdol, Oleovitamin D2, Calciferol, Mulsiferol, Daral, Viosterol, Condol, Ergorone, Crystallina, Osteil, Condacaps, Deratol, Hyperkil, Condocaps, Irradiated ergosta-5,7,22-trien-3-beta-ol, Ercalciol, Fortodyl, Mykostin, Vigantol, Ergocalciferol, Sterogyl, Vitamin D2, Deltalin, Diactol, Radsterin, Geltabs; LC-ESI-QQ; MS2 +RECORD_TITLE: Crtron, Ostelin, Viosterin, Irradiated ergosterol, (5Z,7E,22E)-(3S)-9,10-Secoergosta-5,7,10(19),22-tetraen-3-ol, Davitin, Metadee, Ertron, Rodinec, Drisdol, Oleovitamin D2, Calciferol, Mulsiferol, Daral, Viosterol, Condol, Ergorone, Crystallina, Osteil, Condacaps, Deratol, Hyperkil, Condocaps, Irradiated ergosta-5,7,22-trien-3-beta-ol, Ercalciol, Fortodyl, Mykostin, Vigantol, Ergocalciferol, Sterogyl, Vitamin D2, Deltalin, Diactol, Radsterin, Geltabs; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -58,7 +58,7 @@ CH$LINK: PUBCHEM CID:5280793 CH$LINK: INCHIKEY MECHNRXZTMCUDQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001460; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125401.txt index 19cf6824859..e2da61ddeaf 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125401 -RECORD_TITLE: Kappaxin, Kayklot, Karcon, Klottone, Aquinone, Prokayvit, Menadion, Mitenon, Menaphthon, Aquakay, Kanone, 2-Methylnaphthoquinone, Thyloquinone, 2-Methyl-1,4-dihydronaphthalene-1,4-dione, Menaphthone, Kappaxan, Menadione, Kipca, Vitamin K3, 1,4-Dihydro-1,4-dioxo-2-methylnaphthalene, Memodol, Panosine, Kareon, Menaquinone, MNQ, Kayquinone, 2-Methyl-1,4-naphthalenedione, beta-Methyl-1,4-naphthoquinone, 2-Methyl-1,4-naphthoquinone, Hemodal; LC-ESI-QQ; MS2 +RECORD_TITLE: Kappaxin, Kayklot, Karcon, Klottone, Aquinone, Prokayvit, Menadion, Mitenon, Menaphthon, Aquakay, Kanone, 2-Methylnaphthoquinone, Thyloquinone, 2-Methyl-1,4-dihydronaphthalene-1,4-dione, Menaphthone, Kappaxan, Menadione, Kipca, Vitamin K3, 1,4-Dihydro-1,4-dioxo-2-methylnaphthalene, Memodol, Panosine, Kareon, Menaquinone, MNQ, Kayquinone, 2-Methyl-1,4-naphthalenedione, beta-Methyl-1,4-naphthoquinone, 2-Methyl-1,4-naphthoquinone, Hemodal; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -53,7 +53,7 @@ CH$LINK: PUBCHEM CID:4055 CH$LINK: INCHIKEY MJVAVZPDRWSRRC-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000153; Organic compounds; Benzenoids; Naphthalenes; Naphthoquinones AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125501.txt index 5a95a21af36..866e59e62e5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125501 -RECORD_TITLE: Deparal, Devaron, 7-Dehydrocholesterol activated, oleovitamin D3, (3beta,5Z,7E)-9,10-Secocholesta-5,7,10(19)-trien-3-ol, Calciol, Arachitol, Colecalciferol, Activated 7-dehydrocholesterol, CC, Cholecalciferol, FeraCol, Vitamin D3, Videkhol; LC-ESI-QQ; MS2 +RECORD_TITLE: Deparal, Devaron, 7-Dehydrocholesterol activated, oleovitamin D3, (3beta,5Z,7E)-9,10-Secocholesta-5,7,10(19)-trien-3-ol, Calciol, Arachitol, Colecalciferol, Activated 7-dehydrocholesterol, CC, Cholecalciferol, FeraCol, Vitamin D3, Videkhol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -37,7 +37,7 @@ CH$LINK: PUBCHEM CID:5280795 CH$LINK: INCHIKEY QYSXJUFSXHHAJI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001460; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125502.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125502.txt index b185f40dfea..c07d3ff5fba 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125502.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125502.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125502 -RECORD_TITLE: Deparal, Devaron, 7-Dehydrocholesterol activated, oleovitamin D3, (3beta,5Z,7E)-9,10-Secocholesta-5,7,10(19)-trien-3-ol, Calciol, Arachitol, Colecalciferol, Activated 7-dehydrocholesterol, CC, Cholecalciferol, FeraCol, Vitamin D3, Videkhol; LC-ESI-QQ; MS2 +RECORD_TITLE: Deparal, Devaron, 7-Dehydrocholesterol activated, oleovitamin D3, (3beta,5Z,7E)-9,10-Secocholesta-5,7,10(19)-trien-3-ol, Calciol, Arachitol, Colecalciferol, Activated 7-dehydrocholesterol, CC, Cholecalciferol, FeraCol, Vitamin D3, Videkhol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -37,7 +37,7 @@ CH$LINK: PUBCHEM CID:5280795 CH$LINK: INCHIKEY QYSXJUFSXHHAJI-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001460; Organic compounds; Lipids and lipid-like molecules; Steroids and steroid derivatives; Vitamin D and derivatives AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125601.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125601.txt index c51b3c487d2..934a8de1f34 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125601.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125601.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125601 -RECORD_TITLE: alpha-Tocotrienol, (2R,3'E,7'E)-alpha-Tocotrienol; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-Tocotrienol, (2R,3'E,7'E)-alpha-Tocotrienol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5282347 CH$LINK: INCHIKEY RZFHLOLGZPDCHJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125602.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125602.txt index ad5340c13f6..52f7d1758d8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125602.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125602.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125602 -RECORD_TITLE: alpha-Tocotrienol, (2R,3'E,7'E)-alpha-Tocotrienol; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-Tocotrienol, (2R,3'E,7'E)-alpha-Tocotrienol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5282347 CH$LINK: INCHIKEY RZFHLOLGZPDCHJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125603.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125603.txt index 188f1f67877..3f53979666a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125603.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125603.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125603 -RECORD_TITLE: alpha-Tocotrienol, (2R,3'E,7'E)-alpha-Tocotrienol; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-Tocotrienol, (2R,3'E,7'E)-alpha-Tocotrienol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5282347 CH$LINK: INCHIKEY RZFHLOLGZPDCHJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125604.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125604.txt index 778e1ab6b72..72e925e7a24 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125604.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125604.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125604 -RECORD_TITLE: alpha-Tocotrienol, (2R,3'E,7'E)-alpha-Tocotrienol; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-Tocotrienol, (2R,3'E,7'E)-alpha-Tocotrienol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5282347 CH$LINK: INCHIKEY RZFHLOLGZPDCHJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125605.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125605.txt index 9767ba2e243..708e4b52951 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125605.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125605.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125605 -RECORD_TITLE: alpha-Tocotrienol, (2R,3'E,7'E)-alpha-Tocotrienol; LC-ESI-QQ; MS2 +RECORD_TITLE: alpha-Tocotrienol, (2R,3'E,7'E)-alpha-Tocotrienol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:5282347 CH$LINK: INCHIKEY RZFHLOLGZPDCHJ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125701.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125701.txt index 70504f4ed00..033fffedcc1 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125701.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125701.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125701 -RECORD_TITLE: (R)-gamma-Tocotrienol, 7,8-Dimethyltocotrienol, gamma-Tocotrienol; LC-ESI-QQ; MS2 +RECORD_TITLE: (R)-gamma-Tocotrienol, 7,8-Dimethyltocotrienol, gamma-Tocotrienol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5282349 CH$LINK: INCHIKEY OTXNTMVVOOBZCV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125801.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125801.txt index 3d917d438e8..8982becf551 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125801.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125801.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125801 -RECORD_TITLE: 8-Methyltocotrienol, (R)-delta-Tocotrienol, delta-Tocotrienol; LC-ESI-QQ; MS2 +RECORD_TITLE: 8-Methyltocotrienol, (R)-delta-Tocotrienol, delta-Tocotrienol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5282350 CH$LINK: INCHIKEY ODADKLYLWWCHNB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125802.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125802.txt index dd1bb679ac0..f45b55758ac 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125802.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125802.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125802 -RECORD_TITLE: 8-Methyltocotrienol, (R)-delta-Tocotrienol, delta-Tocotrienol; LC-ESI-QQ; MS2 +RECORD_TITLE: 8-Methyltocotrienol, (R)-delta-Tocotrienol, delta-Tocotrienol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5282350 CH$LINK: INCHIKEY ODADKLYLWWCHNB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125803.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125803.txt index 022f13ea3ef..81451955278 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125803.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125803.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125803 -RECORD_TITLE: 8-Methyltocotrienol, (R)-delta-Tocotrienol, delta-Tocotrienol; LC-ESI-QQ; MS2 +RECORD_TITLE: 8-Methyltocotrienol, (R)-delta-Tocotrienol, delta-Tocotrienol; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:5282350 CH$LINK: INCHIKEY ODADKLYLWWCHNB-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0001534; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Quinone and hydroquinone lipids AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125902.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125902.txt index 780188a8765..2d0368d3e22 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125902.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125902.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125902 -RECORD_TITLE: D-Panose , O-alpha-D-Glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-4)-D-glucose, 4-alpha-Isomaltosylglucose; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Panose , O-alpha-D-Glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-4)-D-glucose, 4-alpha-Isomaltosylglucose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439297 CH$LINK: INCHIKEY OWEGMIWEEQEYGQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125903.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125903.txt index 90bdc432014..1369608bedd 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125903.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125903.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125903 -RECORD_TITLE: D-Panose , O-alpha-D-Glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-4)-D-glucose, 4-alpha-Isomaltosylglucose; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Panose , O-alpha-D-Glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-4)-D-glucose, 4-alpha-Isomaltosylglucose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439297 CH$LINK: INCHIKEY OWEGMIWEEQEYGQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125907.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125907.txt index 83f37c83aed..81d145830b8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125907.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS125907.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS125907 -RECORD_TITLE: D-Panose , O-alpha-D-Glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-4)-D-glucose, 4-alpha-Isomaltosylglucose; LC-ESI-QQ; MS2 +RECORD_TITLE: D-Panose , O-alpha-D-Glucopyranosyl-(1-6)-O-alpha-D-glucopyranosyl-(1-4)-D-glucose, 4-alpha-Isomaltosylglucose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439297 CH$LINK: INCHIKEY OWEGMIWEEQEYGQ-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126007.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126007.txt index 1a0caa34515..bf7c7664d9f 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126007.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS126007 -RECORD_TITLE: O-beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl-alpha-D-glucopyranoside, 1-Kestose, 1F-beta-D-Fructosylsucrose; LC-ESI-QQ; MS2 +RECORD_TITLE: O-beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl-alpha-D-glucopyranoside, 1-Kestose, 1F-beta-D-Fructosylsucrose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:440080 CH$LINK: INCHIKEY VAWYEUIPHLMNNF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126008.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126008.txt index f7104efee96..2678602e614 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126008.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS126008 -RECORD_TITLE: O-beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl-alpha-D-glucopyranoside, 1-Kestose, 1F-beta-D-Fructosylsucrose; LC-ESI-QQ; MS2 +RECORD_TITLE: O-beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl-alpha-D-glucopyranoside, 1-Kestose, 1F-beta-D-Fructosylsucrose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:440080 CH$LINK: INCHIKEY VAWYEUIPHLMNNF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126012.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126012.txt index e0ee2c289fc..dd41fa629ec 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126012.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126012.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS126012 -RECORD_TITLE: O-beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl-alpha-D-glucopyranoside, 1-Kestose, 1F-beta-D-Fructosylsucrose; LC-ESI-QQ; MS2 +RECORD_TITLE: O-beta-D-Fructofuranosyl-(2-1)-beta-D-fructofuranosyl-alpha-D-glucopyranoside, 1-Kestose, 1F-beta-D-Fructosylsucrose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:440080 CH$LINK: INCHIKEY VAWYEUIPHLMNNF-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126107.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126107.txt index e6bbbddd983..30dc9f32465 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126107.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS126107 -RECORD_TITLE: Fungitetraose, beta-D-Fruf-(2-1)-beta-D-Fruf-(2-1)-beta-D-Fruf-(2-1)-alpha-D-Glup, Nystose Trihydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Fungitetraose, beta-D-Fruf-(2-1)-beta-D-Fruf-(2-1)-beta-D-Fruf-(2-1)-alpha-D-Glup, Nystose Trihydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:166775 CH$LINK: INCHIKEY FLDFNEBHEXLZRX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126108.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126108.txt index 43c4c55548f..6ae8115f770 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126108.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS126108 -RECORD_TITLE: Fungitetraose, beta-D-Fruf-(2-1)-beta-D-Fruf-(2-1)-beta-D-Fruf-(2-1)-alpha-D-Glup, Nystose Trihydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Fungitetraose, beta-D-Fruf-(2-1)-beta-D-Fruf-(2-1)-beta-D-Fruf-(2-1)-alpha-D-Glup, Nystose Trihydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:166775 CH$LINK: INCHIKEY FLDFNEBHEXLZRX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126109.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126109.txt index 8e99cda37ce..1100901378a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126109.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS126109 -RECORD_TITLE: Fungitetraose, beta-D-Fruf-(2-1)-beta-D-Fruf-(2-1)-beta-D-Fruf-(2-1)-alpha-D-Glup, Nystose Trihydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Fungitetraose, beta-D-Fruf-(2-1)-beta-D-Fruf-(2-1)-beta-D-Fruf-(2-1)-alpha-D-Glup, Nystose Trihydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:166775 CH$LINK: INCHIKEY FLDFNEBHEXLZRX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126112.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126112.txt index 51769e36320..dea97179f79 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126112.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126112.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS126112 -RECORD_TITLE: Fungitetraose, beta-D-Fruf-(2-1)-beta-D-Fruf-(2-1)-beta-D-Fruf-(2-1)-alpha-D-Glup, Nystose Trihydrate; LC-ESI-QQ; MS2 +RECORD_TITLE: Fungitetraose, beta-D-Fruf-(2-1)-beta-D-Fruf-(2-1)-beta-D-Fruf-(2-1)-alpha-D-Glup, Nystose Trihydrate; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -25,7 +25,7 @@ CH$LINK: PUBCHEM CID:166775 CH$LINK: INCHIKEY FLDFNEBHEXLZRX-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126207.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126207.txt index fe0769455cc..40a4b3faaab 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126207.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS126207 -RECORD_TITLE: Stachyose n-Hydrate, alpha-D-Gal-(1-6)-alpha-D-Gal-(1-6)-alpha-D-Glc-(1-2)-beta-D-Fru, Lupeose; LC-ESI-QQ; MS2 +RECORD_TITLE: Stachyose n-Hydrate, alpha-D-Gal-(1-6)-alpha-D-Gal-(1-6)-alpha-D-Glc-(1-2)-beta-D-Fru, Lupeose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439531 CH$LINK: INCHIKEY UQZIYBXSHAGNOE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126208.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126208.txt index a6724e770f1..3c7a53297e9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126208.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS126208 -RECORD_TITLE: Stachyose n-Hydrate, alpha-D-Gal-(1-6)-alpha-D-Gal-(1-6)-alpha-D-Glc-(1-2)-beta-D-Fru, Lupeose; LC-ESI-QQ; MS2 +RECORD_TITLE: Stachyose n-Hydrate, alpha-D-Gal-(1-6)-alpha-D-Gal-(1-6)-alpha-D-Glc-(1-2)-beta-D-Fru, Lupeose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439531 CH$LINK: INCHIKEY UQZIYBXSHAGNOE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126209.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126209.txt index 9d4113b7d55..84db17eaab9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126209.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS126209 -RECORD_TITLE: Stachyose n-Hydrate, alpha-D-Gal-(1-6)-alpha-D-Gal-(1-6)-alpha-D-Glc-(1-2)-beta-D-Fru, Lupeose; LC-ESI-QQ; MS2 +RECORD_TITLE: Stachyose n-Hydrate, alpha-D-Gal-(1-6)-alpha-D-Gal-(1-6)-alpha-D-Glc-(1-2)-beta-D-Fru, Lupeose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439531 CH$LINK: INCHIKEY UQZIYBXSHAGNOE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126210.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126210.txt index 15f16f4870f..2231bb40bea 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126210.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126210.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS126210 -RECORD_TITLE: Stachyose n-Hydrate, alpha-D-Gal-(1-6)-alpha-D-Gal-(1-6)-alpha-D-Glc-(1-2)-beta-D-Fru, Lupeose; LC-ESI-QQ; MS2 +RECORD_TITLE: Stachyose n-Hydrate, alpha-D-Gal-(1-6)-alpha-D-Gal-(1-6)-alpha-D-Glc-(1-2)-beta-D-Fru, Lupeose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439531 CH$LINK: INCHIKEY UQZIYBXSHAGNOE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126211.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126211.txt index 39e9a72ffc5..b94e1414441 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126211.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126211.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS126211 -RECORD_TITLE: Stachyose n-Hydrate, alpha-D-Gal-(1-6)-alpha-D-Gal-(1-6)-alpha-D-Glc-(1-2)-beta-D-Fru, Lupeose; LC-ESI-QQ; MS2 +RECORD_TITLE: Stachyose n-Hydrate, alpha-D-Gal-(1-6)-alpha-D-Gal-(1-6)-alpha-D-Glc-(1-2)-beta-D-Fru, Lupeose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439531 CH$LINK: INCHIKEY UQZIYBXSHAGNOE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126212.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126212.txt index 22af34c33f1..7a35e8bbc8d 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126212.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126212.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS126212 -RECORD_TITLE: Stachyose n-Hydrate, alpha-D-Gal-(1-6)-alpha-D-Gal-(1-6)-alpha-D-Glc-(1-2)-beta-D-Fru, Lupeose; LC-ESI-QQ; MS2 +RECORD_TITLE: Stachyose n-Hydrate, alpha-D-Gal-(1-6)-alpha-D-Gal-(1-6)-alpha-D-Glc-(1-2)-beta-D-Fru, Lupeose; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439531 CH$LINK: INCHIKEY UQZIYBXSHAGNOE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000011; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbohydrates and carbohydrate conjugates AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126301.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126301.txt index 0f2325866dd..4deaf11a1e2 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126301.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126301.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS126301 -RECORD_TITLE: N-Acetyl-5-methoxytryptamine, 5-Methoxy-N-acetyltryptamine, Melatonin; LC-ESI-QQ; MS2 +RECORD_TITLE: N-Acetyl-5-methoxytryptamine, 5-Methoxy-N-acetyltryptamine, Melatonin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:896 CH$LINK: INCHIKEY DRLFMBDRBRZALE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126302.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126302.txt index 0e988a0ea28..822b6a033a5 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126302.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126302.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS126302 -RECORD_TITLE: N-Acetyl-5-methoxytryptamine, 5-Methoxy-N-acetyltryptamine, Melatonin; LC-ESI-QQ; MS2 +RECORD_TITLE: N-Acetyl-5-methoxytryptamine, 5-Methoxy-N-acetyltryptamine, Melatonin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:896 CH$LINK: INCHIKEY DRLFMBDRBRZALE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126303.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126303.txt index f210b608bb0..f8a17fede05 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126303.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126303.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS126303 -RECORD_TITLE: N-Acetyl-5-methoxytryptamine, 5-Methoxy-N-acetyltryptamine, Melatonin; LC-ESI-QQ; MS2 +RECORD_TITLE: N-Acetyl-5-methoxytryptamine, 5-Methoxy-N-acetyltryptamine, Melatonin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:896 CH$LINK: INCHIKEY DRLFMBDRBRZALE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126304.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126304.txt index 440a6539dab..843e1712fc9 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126304.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126304.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS126304 -RECORD_TITLE: N-Acetyl-5-methoxytryptamine, 5-Methoxy-N-acetyltryptamine, Melatonin; LC-ESI-QQ; MS2 +RECORD_TITLE: N-Acetyl-5-methoxytryptamine, 5-Methoxy-N-acetyltryptamine, Melatonin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:896 CH$LINK: INCHIKEY DRLFMBDRBRZALE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126305.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126305.txt index 6983feedd74..30509c28acb 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126305.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126305.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS126305 -RECORD_TITLE: N-Acetyl-5-methoxytryptamine, 5-Methoxy-N-acetyltryptamine, Melatonin; LC-ESI-QQ; MS2 +RECORD_TITLE: N-Acetyl-5-methoxytryptamine, 5-Methoxy-N-acetyltryptamine, Melatonin; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:896 CH$LINK: INCHIKEY DRLFMBDRBRZALE-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002497; Organic compounds; Organoheterocyclic compounds; Indoles and derivatives; Indoles AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126401.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126401.txt index 0eb11ad8141..4bc9a7704ee 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126401.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126401.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS126401 -RECORD_TITLE: L-Canavanine , O-((Aminoiminomethyl)amino)-L-homoserine, L-alpha-Amino-gamma-(guanidinooxy)-n-butyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Canavanine , O-((Aminoiminomethyl)amino)-L-homoserine, L-alpha-Amino-gamma-(guanidinooxy)-n-butyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439202 CH$LINK: INCHIKEY FSBIGDSBMBYOPN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126402.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126402.txt index 077c83eaaf2..78d37a47f4a 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126402.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126402.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS126402 -RECORD_TITLE: L-Canavanine , O-((Aminoiminomethyl)amino)-L-homoserine, L-alpha-Amino-gamma-(guanidinooxy)-n-butyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Canavanine , O-((Aminoiminomethyl)amino)-L-homoserine, L-alpha-Amino-gamma-(guanidinooxy)-n-butyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439202 CH$LINK: INCHIKEY FSBIGDSBMBYOPN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126403.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126403.txt index dbbca3a030a..12e54896f0c 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126403.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126403.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS126403 -RECORD_TITLE: L-Canavanine , O-((Aminoiminomethyl)amino)-L-homoserine, L-alpha-Amino-gamma-(guanidinooxy)-n-butyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Canavanine , O-((Aminoiminomethyl)amino)-L-homoserine, L-alpha-Amino-gamma-(guanidinooxy)-n-butyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439202 CH$LINK: INCHIKEY FSBIGDSBMBYOPN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126407.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126407.txt index ebaca56b33d..cc1c0d1bc28 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126407.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126407.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS126407 -RECORD_TITLE: L-Canavanine , O-((Aminoiminomethyl)amino)-L-homoserine, L-alpha-Amino-gamma-(guanidinooxy)-n-butyric acid; LC-ESI-QQ; MS2 +RECORD_TITLE: L-Canavanine , O-((Aminoiminomethyl)amino)-L-homoserine, L-alpha-Amino-gamma-(guanidinooxy)-n-butyric acid; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -26,7 +26,7 @@ CH$LINK: PUBCHEM CID:439202 CH$LINK: INCHIKEY FSBIGDSBMBYOPN-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126501.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126501.txt index 758460cd685..f4e426e8cd8 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126501.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126501.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS126501 -RECORD_TITLE: Glu(Cys-Ala), gamma-L-Glutamyl-L-cysteinyl-beta-alanine, beta-Alanine,L-gamma-glutamyl-L-cysteinyl-, Homoglutathione; LC-ESI-QQ; MS2 +RECORD_TITLE: Glu(Cys-Ala), gamma-L-Glutamyl-L-cysteinyl-beta-alanine, beta-Alanine,L-gamma-glutamyl-L-cysteinyl-, Homoglutathione; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:440380 CH$LINK: INCHIKEY HKBNQXMLSMKLJV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126505.txt b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126505.txt index 534d9530721..6fbecc60646 100644 --- a/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126505.txt +++ b/RIKEN_ReSpect/MSBNK-RIKEN_ReSpect-PS126505.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-RIKEN_ReSpect-PS126505 -RECORD_TITLE: Glu(Cys-Ala), gamma-L-Glutamyl-L-cysteinyl-beta-alanine, beta-Alanine,L-gamma-glutamyl-L-cysteinyl-, Homoglutathione; LC-ESI-QQ; MS2 +RECORD_TITLE: Glu(Cys-Ala), gamma-L-Glutamyl-L-cysteinyl-beta-alanine, beta-Alanine,L-gamma-glutamyl-L-cysteinyl-, Homoglutathione; LC-ESI-QQQ; MS2 DATE: 2009.02.09 AUTHORS: Sawada Y, Matsuda F, and Hirai MY. Plant Science Center, RIKEN LICENSE: CC BY-NC @@ -27,7 +27,7 @@ CH$LINK: PUBCHEM CID:440380 CH$LINK: INCHIKEY HKBNQXMLSMKLJV-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0002010; Organic compounds; Organic acids and derivatives; Peptidomimetics; Hybrid peptides AC$INSTRUMENT: TQD, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI diff --git a/Waters/MSBNK-Waters-WA000001.txt b/Waters/MSBNK-Waters-WA000001.txt index f6f894f0fcb..a0be4062600 100644 --- a/Waters/MSBNK-Waters-WA000001.txt +++ b/Waters/MSBNK-Waters-WA000001.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000001 -RECORD_TITLE: Azamethiphos; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Azamethiphos; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY VNKBTWQZTQIWDV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034818 CH$LINK: ChemOnt CHEMONTID:0002118; Organic compounds; Organoheterocyclic compounds; Oxazolopyridines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000002.txt b/Waters/MSBNK-Waters-WA000002.txt index d347d883293..23728effb72 100644 --- a/Waters/MSBNK-Waters-WA000002.txt +++ b/Waters/MSBNK-Waters-WA000002.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000002 -RECORD_TITLE: Azamethiphos; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Azamethiphos; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY VNKBTWQZTQIWDV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034818 CH$LINK: ChemOnt CHEMONTID:0002118; Organic compounds; Organoheterocyclic compounds; Oxazolopyridines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000003.txt b/Waters/MSBNK-Waters-WA000003.txt index af87d41518d..d8cb2071c6c 100644 --- a/Waters/MSBNK-Waters-WA000003.txt +++ b/Waters/MSBNK-Waters-WA000003.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000003 -RECORD_TITLE: Azamethiphos; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Azamethiphos; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY VNKBTWQZTQIWDV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034818 CH$LINK: ChemOnt CHEMONTID:0002118; Organic compounds; Organoheterocyclic compounds; Oxazolopyridines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000004.txt b/Waters/MSBNK-Waters-WA000004.txt index c80205d610c..cc2ede6cbe8 100644 --- a/Waters/MSBNK-Waters-WA000004.txt +++ b/Waters/MSBNK-Waters-WA000004.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000004 -RECORD_TITLE: Azamethiphos; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Azamethiphos; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY VNKBTWQZTQIWDV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034818 CH$LINK: ChemOnt CHEMONTID:0002118; Organic compounds; Organoheterocyclic compounds; Oxazolopyridines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000005.txt b/Waters/MSBNK-Waters-WA000005.txt index f54b35efd30..95626840ff8 100644 --- a/Waters/MSBNK-Waters-WA000005.txt +++ b/Waters/MSBNK-Waters-WA000005.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000005 -RECORD_TITLE: Methylazinphos; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Methylazinphos; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY CJJOSEISRRTUQB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020122 CH$LINK: ChemOnt CHEMONTID:0004660; Organic compounds; Organoheterocyclic compounds; Benzo-1,2,3-triazines; Benzotriazine organothiophosphates AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000006.txt b/Waters/MSBNK-Waters-WA000006.txt index cb1f5ab3618..e25382b4a0d 100644 --- a/Waters/MSBNK-Waters-WA000006.txt +++ b/Waters/MSBNK-Waters-WA000006.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000006 -RECORD_TITLE: Methylazinphos; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Methylazinphos; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY CJJOSEISRRTUQB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3020122 CH$LINK: ChemOnt CHEMONTID:0004660; Organic compounds; Organoheterocyclic compounds; Benzo-1,2,3-triazines; Benzotriazine organothiophosphates AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000007.txt b/Waters/MSBNK-Waters-WA000007.txt index 55354781728..f49f0ff2e16 100644 --- a/Waters/MSBNK-Waters-WA000007.txt +++ b/Waters/MSBNK-Waters-WA000007.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000007 -RECORD_TITLE: Anilofos; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Anilofos; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY NXQDBZGWYSEGFL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058149 CH$LINK: ChemOnt CHEMONTID:0000285; Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000008.txt b/Waters/MSBNK-Waters-WA000008.txt index 75866281805..7aca07437fd 100644 --- a/Waters/MSBNK-Waters-WA000008.txt +++ b/Waters/MSBNK-Waters-WA000008.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000008 -RECORD_TITLE: Anilofos; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Anilofos; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY NXQDBZGWYSEGFL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058149 CH$LINK: ChemOnt CHEMONTID:0000285; Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000009.txt b/Waters/MSBNK-Waters-WA000009.txt index aba5bdb53d1..30bcdf5c128 100644 --- a/Waters/MSBNK-Waters-WA000009.txt +++ b/Waters/MSBNK-Waters-WA000009.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000009 -RECORD_TITLE: Anilofos; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Anilofos; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY NXQDBZGWYSEGFL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058149 CH$LINK: ChemOnt CHEMONTID:0000285; Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000010.txt b/Waters/MSBNK-Waters-WA000010.txt index f877a92fd83..0a8524e6170 100644 --- a/Waters/MSBNK-Waters-WA000010.txt +++ b/Waters/MSBNK-Waters-WA000010.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000010 -RECORD_TITLE: Anilofos; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Anilofos; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY NXQDBZGWYSEGFL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058149 CH$LINK: ChemOnt CHEMONTID:0000285; Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000011.txt b/Waters/MSBNK-Waters-WA000011.txt index 51a025050bc..9d91c3949d4 100644 --- a/Waters/MSBNK-Waters-WA000011.txt +++ b/Waters/MSBNK-Waters-WA000011.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000011 -RECORD_TITLE: Abamectin B1a; LC-ESI-QQ; MS2; CE:10 V; [M+NH4]+ +RECORD_TITLE: Abamectin B1a; LC-ESI-QQQ; MS2; CE:10 V; [M+NH4]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY RRZXIRBKKLTSOM-XPNPUAGNSA-N CH$LINK: COMPTOX DTXSID9058238 CH$LINK: ChemOnt CHEMONTID:0000147; Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000012.txt b/Waters/MSBNK-Waters-WA000012.txt index a47f1094c99..2df1e96bdbf 100644 --- a/Waters/MSBNK-Waters-WA000012.txt +++ b/Waters/MSBNK-Waters-WA000012.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000012 -RECORD_TITLE: Abamectin B1a; LC-ESI-QQ; MS2; CE:20 V; [M+NH4]+ +RECORD_TITLE: Abamectin B1a; LC-ESI-QQQ; MS2; CE:20 V; [M+NH4]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY RRZXIRBKKLTSOM-XPNPUAGNSA-N CH$LINK: COMPTOX DTXSID9058238 CH$LINK: ChemOnt CHEMONTID:0000147; Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000013.txt b/Waters/MSBNK-Waters-WA000013.txt index d6622157c65..b87fe6d88e9 100644 --- a/Waters/MSBNK-Waters-WA000013.txt +++ b/Waters/MSBNK-Waters-WA000013.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000013 -RECORD_TITLE: Abamectin B1a; LC-ESI-QQ; MS2; CE:30 V; [M+NH4]+ +RECORD_TITLE: Abamectin B1a; LC-ESI-QQQ; MS2; CE:30 V; [M+NH4]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY RRZXIRBKKLTSOM-XPNPUAGNSA-N CH$LINK: COMPTOX DTXSID9058238 CH$LINK: ChemOnt CHEMONTID:0000147; Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000014.txt b/Waters/MSBNK-Waters-WA000014.txt index a304c54e717..94be5111f2a 100644 --- a/Waters/MSBNK-Waters-WA000014.txt +++ b/Waters/MSBNK-Waters-WA000014.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000014 -RECORD_TITLE: Abamectin B1a; LC-ESI-QQ; MS2; CE:40 V; [M+NH4]+ +RECORD_TITLE: Abamectin B1a; LC-ESI-QQQ; MS2; CE:40 V; [M+NH4]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY RRZXIRBKKLTSOM-XPNPUAGNSA-N CH$LINK: COMPTOX DTXSID9058238 CH$LINK: ChemOnt CHEMONTID:0000147; Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000015.txt b/Waters/MSBNK-Waters-WA000015.txt index 51ad11626cb..8baeaa8f341 100644 --- a/Waters/MSBNK-Waters-WA000015.txt +++ b/Waters/MSBNK-Waters-WA000015.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000015 -RECORD_TITLE: Isoxaflutole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Isoxaflutole; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY OYIKARCXOQLFHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5034723 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000016.txt b/Waters/MSBNK-Waters-WA000016.txt index b40feb44b03..d5431fda2db 100644 --- a/Waters/MSBNK-Waters-WA000016.txt +++ b/Waters/MSBNK-Waters-WA000016.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000016 -RECORD_TITLE: Isoxaflutole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Isoxaflutole; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY OYIKARCXOQLFHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5034723 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000017.txt b/Waters/MSBNK-Waters-WA000017.txt index 659ac38c7ec..a44ad5d0145 100644 --- a/Waters/MSBNK-Waters-WA000017.txt +++ b/Waters/MSBNK-Waters-WA000017.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000017 -RECORD_TITLE: Isoxaflutole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Isoxaflutole; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY OYIKARCXOQLFHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5034723 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000018.txt b/Waters/MSBNK-Waters-WA000018.txt index 480905c0c5e..661e2c4c45a 100644 --- a/Waters/MSBNK-Waters-WA000018.txt +++ b/Waters/MSBNK-Waters-WA000018.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000018 -RECORD_TITLE: Isoxaflutole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Isoxaflutole; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY OYIKARCXOQLFHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5034723 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000019.txt b/Waters/MSBNK-Waters-WA000019.txt index 755c3ea0eeb..f8a22021eb9 100644 --- a/Waters/MSBNK-Waters-WA000019.txt +++ b/Waters/MSBNK-Waters-WA000019.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000019 -RECORD_TITLE: Isoxaflutole; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Isoxaflutole; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY OYIKARCXOQLFHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5034723 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Waters/MSBNK-Waters-WA000020.txt b/Waters/MSBNK-Waters-WA000020.txt index 1601e14fc01..0e21daafff4 100644 --- a/Waters/MSBNK-Waters-WA000020.txt +++ b/Waters/MSBNK-Waters-WA000020.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000020 -RECORD_TITLE: Isoxaflutole; LC-ESI-QQ; MS2; CE:60 V; [M+H]+ +RECORD_TITLE: Isoxaflutole; LC-ESI-QQQ; MS2; CE:60 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY OYIKARCXOQLFHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5034723 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 V diff --git a/Waters/MSBNK-Waters-WA000021.txt b/Waters/MSBNK-Waters-WA000021.txt index 765dba12645..8ac0c661d92 100644 --- a/Waters/MSBNK-Waters-WA000021.txt +++ b/Waters/MSBNK-Waters-WA000021.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000021 -RECORD_TITLE: Isoxaflutole; LC-ESI-QQ; MS2; CE:70 V; [M+H]+ +RECORD_TITLE: Isoxaflutole; LC-ESI-QQQ; MS2; CE:70 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY OYIKARCXOQLFHF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5034723 CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 V diff --git a/Waters/MSBNK-Waters-WA000022.txt b/Waters/MSBNK-Waters-WA000022.txt index a64b02e64d1..53f858413f2 100644 --- a/Waters/MSBNK-Waters-WA000022.txt +++ b/Waters/MSBNK-Waters-WA000022.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000022 -RECORD_TITLE: Iprovalicarb; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Iprovalicarb; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY NWUWYYSKZYIQAE-ZBFHGGJFSA-N CH$LINK: COMPTOX DTXSID00872406 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000023.txt b/Waters/MSBNK-Waters-WA000023.txt index 7bcefedffe9..e652e6c0ec0 100644 --- a/Waters/MSBNK-Waters-WA000023.txt +++ b/Waters/MSBNK-Waters-WA000023.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000023 -RECORD_TITLE: Iprovalicarb; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Iprovalicarb; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY NWUWYYSKZYIQAE-ZBFHGGJFSA-N CH$LINK: COMPTOX DTXSID00872406 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000024.txt b/Waters/MSBNK-Waters-WA000024.txt index 413995f0a13..2e66190c9a5 100644 --- a/Waters/MSBNK-Waters-WA000024.txt +++ b/Waters/MSBNK-Waters-WA000024.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000024 -RECORD_TITLE: Iprovalicarb; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Iprovalicarb; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY NWUWYYSKZYIQAE-ZBFHGGJFSA-N CH$LINK: COMPTOX DTXSID00872406 CH$LINK: ChemOnt CHEMONTID:0000013; Organic compounds; Organic acids and derivatives; Carboxylic acids and derivatives; Amino acids, peptides, and analogues AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000025.txt b/Waters/MSBNK-Waters-WA000025.txt index a7240aec368..7fc7b784cee 100644 --- a/Waters/MSBNK-Waters-WA000025.txt +++ b/Waters/MSBNK-Waters-WA000025.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000025 -RECORD_TITLE: Imidacloprid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Imidacloprid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY YWTYJOPNNQFBPC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5032442 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000026.txt b/Waters/MSBNK-Waters-WA000026.txt index 567f70053b3..da541d868d6 100644 --- a/Waters/MSBNK-Waters-WA000026.txt +++ b/Waters/MSBNK-Waters-WA000026.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000026 -RECORD_TITLE: Imidacloprid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Imidacloprid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY YWTYJOPNNQFBPC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5032442 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000027.txt b/Waters/MSBNK-Waters-WA000027.txt index 92b5f3bb784..23d2260248a 100644 --- a/Waters/MSBNK-Waters-WA000027.txt +++ b/Waters/MSBNK-Waters-WA000027.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000027 -RECORD_TITLE: Imidacloprid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Imidacloprid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY YWTYJOPNNQFBPC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5032442 CH$LINK: ChemOnt CHEMONTID:0000375; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Guanidines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000028.txt b/Waters/MSBNK-Waters-WA000028.txt index a2011c13deb..626fbb08e11 100644 --- a/Waters/MSBNK-Waters-WA000028.txt +++ b/Waters/MSBNK-Waters-WA000028.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000028 -RECORD_TITLE: Indoxacarb; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Indoxacarb; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY VBCVPMMZEGZULK-NRFANRHFSA-N CH$LINK: COMPTOX DTXSID1032690 CH$LINK: ChemOnt CHEMONTID:0004714; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylcarbamic acid esters AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000029.txt b/Waters/MSBNK-Waters-WA000029.txt index bd784048b4c..604f04daaa7 100644 --- a/Waters/MSBNK-Waters-WA000029.txt +++ b/Waters/MSBNK-Waters-WA000029.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000029 -RECORD_TITLE: Indoxacarb; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Indoxacarb; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY VBCVPMMZEGZULK-NRFANRHFSA-N CH$LINK: COMPTOX DTXSID1032690 CH$LINK: ChemOnt CHEMONTID:0004714; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylcarbamic acid esters AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000030.txt b/Waters/MSBNK-Waters-WA000030.txt index 5ee5f99e68e..193a6df9632 100644 --- a/Waters/MSBNK-Waters-WA000030.txt +++ b/Waters/MSBNK-Waters-WA000030.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000030 -RECORD_TITLE: Indoxacarb; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Indoxacarb; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY VBCVPMMZEGZULK-NRFANRHFSA-N CH$LINK: COMPTOX DTXSID1032690 CH$LINK: ChemOnt CHEMONTID:0004714; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylcarbamic acid esters AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000031.txt b/Waters/MSBNK-Waters-WA000031.txt index c89a9f077d0..fb7646bfb20 100644 --- a/Waters/MSBNK-Waters-WA000031.txt +++ b/Waters/MSBNK-Waters-WA000031.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000031 -RECORD_TITLE: Indoxacarb; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Indoxacarb; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY VBCVPMMZEGZULK-NRFANRHFSA-N CH$LINK: COMPTOX DTXSID1032690 CH$LINK: ChemOnt CHEMONTID:0004714; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylcarbamic acid esters AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000032.txt b/Waters/MSBNK-Waters-WA000032.txt index ed1768583e9..d9e2f0d502f 100644 --- a/Waters/MSBNK-Waters-WA000032.txt +++ b/Waters/MSBNK-Waters-WA000032.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000032 -RECORD_TITLE: Indoxacarb; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Indoxacarb; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY VBCVPMMZEGZULK-NRFANRHFSA-N CH$LINK: COMPTOX DTXSID1032690 CH$LINK: ChemOnt CHEMONTID:0004714; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylcarbamic acid esters AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Waters/MSBNK-Waters-WA000033.txt b/Waters/MSBNK-Waters-WA000033.txt index 78cb4eb374b..b38bee1fffc 100644 --- a/Waters/MSBNK-Waters-WA000033.txt +++ b/Waters/MSBNK-Waters-WA000033.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000033 -RECORD_TITLE: Oxycarboxin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Oxycarboxin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY AMEKQAFGQBKLKX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8034792 CH$LINK: ChemOnt CHEMONTID:0000285; Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000034.txt b/Waters/MSBNK-Waters-WA000034.txt index 96b636e3a0b..4405f767ece 100644 --- a/Waters/MSBNK-Waters-WA000034.txt +++ b/Waters/MSBNK-Waters-WA000034.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000034 -RECORD_TITLE: Oxycarboxin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Oxycarboxin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY AMEKQAFGQBKLKX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8034792 CH$LINK: ChemOnt CHEMONTID:0000285; Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000035.txt b/Waters/MSBNK-Waters-WA000035.txt index afd3146bf54..5cb31dc83fc 100644 --- a/Waters/MSBNK-Waters-WA000035.txt +++ b/Waters/MSBNK-Waters-WA000035.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000035 -RECORD_TITLE: Oxycarboxin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Oxycarboxin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY AMEKQAFGQBKLKX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8034792 CH$LINK: ChemOnt CHEMONTID:0000285; Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000036.txt b/Waters/MSBNK-Waters-WA000036.txt index 0a268f8ef27..a2486ce6312 100644 --- a/Waters/MSBNK-Waters-WA000036.txt +++ b/Waters/MSBNK-Waters-WA000036.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000036 -RECORD_TITLE: Oxycarboxin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Oxycarboxin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY AMEKQAFGQBKLKX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8034792 CH$LINK: ChemOnt CHEMONTID:0000285; Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000037.txt b/Waters/MSBNK-Waters-WA000037.txt index b4673da9aa0..1e1298b4f9c 100644 --- a/Waters/MSBNK-Waters-WA000037.txt +++ b/Waters/MSBNK-Waters-WA000037.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000037 -RECORD_TITLE: Oryzalin; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Oryzalin; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY UNAHYJYOSSSJHH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024238 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000038.txt b/Waters/MSBNK-Waters-WA000038.txt index a360a04b712..66c945d5c0c 100644 --- a/Waters/MSBNK-Waters-WA000038.txt +++ b/Waters/MSBNK-Waters-WA000038.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000038 -RECORD_TITLE: Oryzalin; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Oryzalin; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY UNAHYJYOSSSJHH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024238 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000039.txt b/Waters/MSBNK-Waters-WA000039.txt index fa5234b7c52..d478b363ab5 100644 --- a/Waters/MSBNK-Waters-WA000039.txt +++ b/Waters/MSBNK-Waters-WA000039.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000039 -RECORD_TITLE: Oryzalin; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Oryzalin; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY UNAHYJYOSSSJHH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024238 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000040.txt b/Waters/MSBNK-Waters-WA000040.txt index 4fe0f6fe6e2..7a334772de3 100644 --- a/Waters/MSBNK-Waters-WA000040.txt +++ b/Waters/MSBNK-Waters-WA000040.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000040 -RECORD_TITLE: Oryzalin; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Oryzalin; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY UNAHYJYOSSSJHH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8024238 CH$LINK: ChemOnt CHEMONTID:0000284; Organic compounds; Benzenoids; Benzene and substituted derivatives; Aniline and substituted anilines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000041.txt b/Waters/MSBNK-Waters-WA000041.txt index 4a8795b3394..a142a98b06b 100644 --- a/Waters/MSBNK-Waters-WA000041.txt +++ b/Waters/MSBNK-Waters-WA000041.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000041 -RECORD_TITLE: Quizalofop-p-tefuryl; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Quizalofop-p-tefuryl; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY BBKDWPHJZANJGB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3058290 CH$LINK: ChemOnt CHEMONTID:0004677; Organic compounds; Benzenoids; Benzene and substituted derivatives; 2-phenoxypropionic acid esters AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000042.txt b/Waters/MSBNK-Waters-WA000042.txt index 8dc8376de58..967413ffcbf 100644 --- a/Waters/MSBNK-Waters-WA000042.txt +++ b/Waters/MSBNK-Waters-WA000042.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000042 -RECORD_TITLE: Quizalofop-p-tefuryl; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Quizalofop-p-tefuryl; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY BBKDWPHJZANJGB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3058290 CH$LINK: ChemOnt CHEMONTID:0004677; Organic compounds; Benzenoids; Benzene and substituted derivatives; 2-phenoxypropionic acid esters AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000043.txt b/Waters/MSBNK-Waters-WA000043.txt index a1538f3e26e..8d4451d2ca7 100644 --- a/Waters/MSBNK-Waters-WA000043.txt +++ b/Waters/MSBNK-Waters-WA000043.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000043 -RECORD_TITLE: Quizalofop-p-tefuryl; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Quizalofop-p-tefuryl; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY BBKDWPHJZANJGB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3058290 CH$LINK: ChemOnt CHEMONTID:0004677; Organic compounds; Benzenoids; Benzene and substituted derivatives; 2-phenoxypropionic acid esters AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000044.txt b/Waters/MSBNK-Waters-WA000044.txt index 186a978fb0d..2871c7b09fe 100644 --- a/Waters/MSBNK-Waters-WA000044.txt +++ b/Waters/MSBNK-Waters-WA000044.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000044 -RECORD_TITLE: Cloquintocet-mexyl; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Cloquintocet-mexyl; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY COYBRKAVBMYYSF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3041794 CH$LINK: ChemOnt CHEMONTID:0000417; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000045.txt b/Waters/MSBNK-Waters-WA000045.txt index 6181a9117fb..d34aafb1edc 100644 --- a/Waters/MSBNK-Waters-WA000045.txt +++ b/Waters/MSBNK-Waters-WA000045.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000045 -RECORD_TITLE: Cloquintocet-mexyl; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Cloquintocet-mexyl; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY COYBRKAVBMYYSF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3041794 CH$LINK: ChemOnt CHEMONTID:0000417; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000046.txt b/Waters/MSBNK-Waters-WA000046.txt index 265d88268db..3fa249d10dc 100644 --- a/Waters/MSBNK-Waters-WA000046.txt +++ b/Waters/MSBNK-Waters-WA000046.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000046 -RECORD_TITLE: Cloquintocet-mexyl; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Cloquintocet-mexyl; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY COYBRKAVBMYYSF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3041794 CH$LINK: ChemOnt CHEMONTID:0000417; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000047.txt b/Waters/MSBNK-Waters-WA000047.txt index cabb55c2827..acf9ce95906 100644 --- a/Waters/MSBNK-Waters-WA000047.txt +++ b/Waters/MSBNK-Waters-WA000047.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000047 -RECORD_TITLE: Cloquintocet-mexyl; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Cloquintocet-mexyl; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY COYBRKAVBMYYSF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3041794 CH$LINK: ChemOnt CHEMONTID:0000417; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000048.txt b/Waters/MSBNK-Waters-WA000048.txt index 563352a3f29..7bebafcfa07 100644 --- a/Waters/MSBNK-Waters-WA000048.txt +++ b/Waters/MSBNK-Waters-WA000048.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000048 -RECORD_TITLE: Clothianidin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Clothianidin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY PGOOBECODWQEAB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2034465 CH$LINK: ChemOnt CHEMONTID:0000095; Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000049.txt b/Waters/MSBNK-Waters-WA000049.txt index 810837bb711..6dc9dc7779a 100644 --- a/Waters/MSBNK-Waters-WA000049.txt +++ b/Waters/MSBNK-Waters-WA000049.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000049 -RECORD_TITLE: Clothianidin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Clothianidin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY PGOOBECODWQEAB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2034465 CH$LINK: ChemOnt CHEMONTID:0000095; Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000050.txt b/Waters/MSBNK-Waters-WA000050.txt index a903c90e6b6..086571bef60 100644 --- a/Waters/MSBNK-Waters-WA000050.txt +++ b/Waters/MSBNK-Waters-WA000050.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000050 -RECORD_TITLE: Clothianidin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Clothianidin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY PGOOBECODWQEAB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2034465 CH$LINK: ChemOnt CHEMONTID:0000095; Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000051.txt b/Waters/MSBNK-Waters-WA000051.txt index 45cbbbda8c4..4402a78d07f 100644 --- a/Waters/MSBNK-Waters-WA000051.txt +++ b/Waters/MSBNK-Waters-WA000051.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000051 -RECORD_TITLE: Clothianidin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Clothianidin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY PGOOBECODWQEAB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2034465 CH$LINK: ChemOnt CHEMONTID:0000095; Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000052.txt b/Waters/MSBNK-Waters-WA000052.txt index 4412a3ec293..4863cb8b66c 100644 --- a/Waters/MSBNK-Waters-WA000052.txt +++ b/Waters/MSBNK-Waters-WA000052.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000052 -RECORD_TITLE: Chromafenozide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Chromafenozide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY HPNSNYBUADCFDR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4057976 CH$LINK: ChemOnt CHEMONTID:0003410; Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000053.txt b/Waters/MSBNK-Waters-WA000053.txt index 6a834879bf8..f4a9cd17c8c 100644 --- a/Waters/MSBNK-Waters-WA000053.txt +++ b/Waters/MSBNK-Waters-WA000053.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000053 -RECORD_TITLE: Chromafenozide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Chromafenozide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY HPNSNYBUADCFDR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4057976 CH$LINK: ChemOnt CHEMONTID:0003410; Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000054.txt b/Waters/MSBNK-Waters-WA000054.txt index d3d7f91f8d6..a973c31c1c8 100644 --- a/Waters/MSBNK-Waters-WA000054.txt +++ b/Waters/MSBNK-Waters-WA000054.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000054 -RECORD_TITLE: Chromafenozide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Chromafenozide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY HPNSNYBUADCFDR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4057976 CH$LINK: ChemOnt CHEMONTID:0003410; Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000055.txt b/Waters/MSBNK-Waters-WA000055.txt index f1cd56d5a45..eecba6b928a 100644 --- a/Waters/MSBNK-Waters-WA000055.txt +++ b/Waters/MSBNK-Waters-WA000055.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000055 -RECORD_TITLE: Chromafenozide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Chromafenozide; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY HPNSNYBUADCFDR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4057976 CH$LINK: ChemOnt CHEMONTID:0003410; Organic compounds; Organoheterocyclic compounds; Benzopyrans; 1-benzopyrans AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000056.txt b/Waters/MSBNK-Waters-WA000056.txt index a2f42c71256..e2ec1f65326 100644 --- a/Waters/MSBNK-Waters-WA000056.txt +++ b/Waters/MSBNK-Waters-WA000056.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000056 -RECORD_TITLE: Clomeprop; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Clomeprop; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY BDQWWOHKFDSADC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058198 CH$LINK: ChemOnt CHEMONTID:0000285; Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000057.txt b/Waters/MSBNK-Waters-WA000057.txt index d26927a934f..daad7f6d088 100644 --- a/Waters/MSBNK-Waters-WA000057.txt +++ b/Waters/MSBNK-Waters-WA000057.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000057 -RECORD_TITLE: Clomeprop; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Clomeprop; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY BDQWWOHKFDSADC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058198 CH$LINK: ChemOnt CHEMONTID:0000285; Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000058.txt b/Waters/MSBNK-Waters-WA000058.txt index a03d37b1832..e7c1ffa8b4c 100644 --- a/Waters/MSBNK-Waters-WA000058.txt +++ b/Waters/MSBNK-Waters-WA000058.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000058 -RECORD_TITLE: Clomeprop; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Clomeprop; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY BDQWWOHKFDSADC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058198 CH$LINK: ChemOnt CHEMONTID:0000285; Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000059.txt b/Waters/MSBNK-Waters-WA000059.txt index 20604699196..2a918d10c1e 100644 --- a/Waters/MSBNK-Waters-WA000059.txt +++ b/Waters/MSBNK-Waters-WA000059.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000059 -RECORD_TITLE: Clomeprop; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Clomeprop; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY BDQWWOHKFDSADC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0058198 CH$LINK: ChemOnt CHEMONTID:0000285; Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000060.txt b/Waters/MSBNK-Waters-WA000060.txt index 1ce4c4c1df8..79ee83dd7dd 100644 --- a/Waters/MSBNK-Waters-WA000060.txt +++ b/Waters/MSBNK-Waters-WA000060.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000060 -RECORD_TITLE: Chloridazon; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Chloridazon; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY WYKYKTKDBLFHCY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3034872 CH$LINK: ChemOnt CHEMONTID:0000074; Organic compounds; Organoheterocyclic compounds; Diazines; Pyridazines and derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000061.txt b/Waters/MSBNK-Waters-WA000061.txt index 902ced798d2..22ddb356867 100644 --- a/Waters/MSBNK-Waters-WA000061.txt +++ b/Waters/MSBNK-Waters-WA000061.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000061 -RECORD_TITLE: Chloridazon; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Chloridazon; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY WYKYKTKDBLFHCY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3034872 CH$LINK: ChemOnt CHEMONTID:0000074; Organic compounds; Organoheterocyclic compounds; Diazines; Pyridazines and derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000062.txt b/Waters/MSBNK-Waters-WA000062.txt index db9c8036bf2..325ce00dbe3 100644 --- a/Waters/MSBNK-Waters-WA000062.txt +++ b/Waters/MSBNK-Waters-WA000062.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000062 -RECORD_TITLE: Chloridazon; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Chloridazon; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY WYKYKTKDBLFHCY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3034872 CH$LINK: ChemOnt CHEMONTID:0000074; Organic compounds; Organoheterocyclic compounds; Diazines; Pyridazines and derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000063.txt b/Waters/MSBNK-Waters-WA000063.txt index f55899fc3b1..5bd7deec467 100644 --- a/Waters/MSBNK-Waters-WA000063.txt +++ b/Waters/MSBNK-Waters-WA000063.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000063 -RECORD_TITLE: Chloridazon; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Chloridazon; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY WYKYKTKDBLFHCY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3034872 CH$LINK: ChemOnt CHEMONTID:0000074; Organic compounds; Organoheterocyclic compounds; Diazines; Pyridazines and derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000064.txt b/Waters/MSBNK-Waters-WA000064.txt index cfecabdd5bf..f902b837bec 100644 --- a/Waters/MSBNK-Waters-WA000064.txt +++ b/Waters/MSBNK-Waters-WA000064.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000064 -RECORD_TITLE: Cyazofamid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Cyazofamid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY YXKMMRDKEKCERS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034492 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000065.txt b/Waters/MSBNK-Waters-WA000065.txt index d4e2876e5d8..c7a307ee0d2 100644 --- a/Waters/MSBNK-Waters-WA000065.txt +++ b/Waters/MSBNK-Waters-WA000065.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000065 -RECORD_TITLE: Cyazofamid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Cyazofamid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY YXKMMRDKEKCERS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034492 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000066.txt b/Waters/MSBNK-Waters-WA000066.txt index cdad105e5d7..a22b7ef0dec 100644 --- a/Waters/MSBNK-Waters-WA000066.txt +++ b/Waters/MSBNK-Waters-WA000066.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000066 -RECORD_TITLE: Cyazofamid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Cyazofamid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY YXKMMRDKEKCERS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034492 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000067.txt b/Waters/MSBNK-Waters-WA000067.txt index 591406efa1c..42d63cf5d5f 100644 --- a/Waters/MSBNK-Waters-WA000067.txt +++ b/Waters/MSBNK-Waters-WA000067.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000067 -RECORD_TITLE: Cyazofamid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Cyazofamid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY YXKMMRDKEKCERS-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034492 CH$LINK: ChemOnt CHEMONTID:0000078; Organic compounds; Organoheterocyclic compounds; Azoles; Imidazoles AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000068.txt b/Waters/MSBNK-Waters-WA000068.txt index 02d9c4f2f4b..a7db978634a 100644 --- a/Waters/MSBNK-Waters-WA000068.txt +++ b/Waters/MSBNK-Waters-WA000068.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000068 -RECORD_TITLE: Cyflufenamide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Cyflufenamide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY ACMXQHFNODYQAT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30431727 CH$LINK: ChemOnt CHEMONTID:0004551; Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000069.txt b/Waters/MSBNK-Waters-WA000069.txt index a1e0dc44cad..d5b3be749a5 100644 --- a/Waters/MSBNK-Waters-WA000069.txt +++ b/Waters/MSBNK-Waters-WA000069.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000069 -RECORD_TITLE: Cyflufenamide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Cyflufenamide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY ACMXQHFNODYQAT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30431727 CH$LINK: ChemOnt CHEMONTID:0004551; Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000070.txt b/Waters/MSBNK-Waters-WA000070.txt index b00990e6eb2..74f76e9ada2 100644 --- a/Waters/MSBNK-Waters-WA000070.txt +++ b/Waters/MSBNK-Waters-WA000070.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000070 -RECORD_TITLE: Cyflufenamide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Cyflufenamide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY ACMXQHFNODYQAT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30431727 CH$LINK: ChemOnt CHEMONTID:0004551; Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000071.txt b/Waters/MSBNK-Waters-WA000071.txt index c4a5a58d529..be41f09bf7a 100644 --- a/Waters/MSBNK-Waters-WA000071.txt +++ b/Waters/MSBNK-Waters-WA000071.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000071 -RECORD_TITLE: Cyflufenamide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Cyflufenamide; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY ACMXQHFNODYQAT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30431727 CH$LINK: ChemOnt CHEMONTID:0004551; Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000072.txt b/Waters/MSBNK-Waters-WA000072.txt index 09d267cbbd9..183defa579a 100644 --- a/Waters/MSBNK-Waters-WA000072.txt +++ b/Waters/MSBNK-Waters-WA000072.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000072 -RECORD_TITLE: Cyflufenamide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Cyflufenamide; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY ACMXQHFNODYQAT-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID30431727 CH$LINK: ChemOnt CHEMONTID:0004551; Organic compounds; Benzenoids; Benzene and substituted derivatives; Trifluoromethylbenzenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Waters/MSBNK-Waters-WA000073.txt b/Waters/MSBNK-Waters-WA000073.txt index 4fc3c862344..4c1db139dc7 100644 --- a/Waters/MSBNK-Waters-WA000073.txt +++ b/Waters/MSBNK-Waters-WA000073.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000073 -RECORD_TITLE: Simeconazole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Simeconazole; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY YABFPHSQTSFWQB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8057980 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000074.txt b/Waters/MSBNK-Waters-WA000074.txt index 037fea49277..bf1f6f69e90 100644 --- a/Waters/MSBNK-Waters-WA000074.txt +++ b/Waters/MSBNK-Waters-WA000074.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000074 -RECORD_TITLE: Simeconazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Simeconazole; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY YABFPHSQTSFWQB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8057980 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000075.txt b/Waters/MSBNK-Waters-WA000075.txt index a110a484dee..e3be804fe25 100644 --- a/Waters/MSBNK-Waters-WA000075.txt +++ b/Waters/MSBNK-Waters-WA000075.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000075 -RECORD_TITLE: Simeconazole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Simeconazole; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY YABFPHSQTSFWQB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8057980 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000076.txt b/Waters/MSBNK-Waters-WA000076.txt index 62479da6770..89ff4456d6f 100644 --- a/Waters/MSBNK-Waters-WA000076.txt +++ b/Waters/MSBNK-Waters-WA000076.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000076 -RECORD_TITLE: Simeconazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Simeconazole; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY YABFPHSQTSFWQB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8057980 CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000077.txt b/Waters/MSBNK-Waters-WA000077.txt index 0a6af728327..d6438dfe70b 100644 --- a/Waters/MSBNK-Waters-WA000077.txt +++ b/Waters/MSBNK-Waters-WA000077.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000077 -RECORD_TITLE: Dimethirimol; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Dimethirimol; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY CJHXCRMKMMBYJQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8041874 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000078.txt b/Waters/MSBNK-Waters-WA000078.txt index 35994fc514f..a9e0bd75bb4 100644 --- a/Waters/MSBNK-Waters-WA000078.txt +++ b/Waters/MSBNK-Waters-WA000078.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000078 -RECORD_TITLE: Dimethirimol; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Dimethirimol; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY CJHXCRMKMMBYJQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8041874 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000079.txt b/Waters/MSBNK-Waters-WA000079.txt index 02915e5ac8b..5f9fb86ec68 100644 --- a/Waters/MSBNK-Waters-WA000079.txt +++ b/Waters/MSBNK-Waters-WA000079.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000079 -RECORD_TITLE: Dimethirimol; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Dimethirimol; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY CJHXCRMKMMBYJQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8041874 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000080.txt b/Waters/MSBNK-Waters-WA000080.txt index 60264ba49fa..3c39ee7c8d3 100644 --- a/Waters/MSBNK-Waters-WA000080.txt +++ b/Waters/MSBNK-Waters-WA000080.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000080 -RECORD_TITLE: Dimethirimol; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Dimethirimol; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY CJHXCRMKMMBYJQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8041874 CH$LINK: ChemOnt CHEMONTID:0002449; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Amines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000081.txt b/Waters/MSBNK-Waters-WA000081.txt index c116ee193eb..2fc9e45d8ef 100644 --- a/Waters/MSBNK-Waters-WA000081.txt +++ b/Waters/MSBNK-Waters-WA000081.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000081 -RECORD_TITLE: Thiacloprid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Thiacloprid; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY HOKKPVIRMVDYPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7034961 CH$LINK: ChemOnt CHEMONTID:0003970; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Halopyridines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000082.txt b/Waters/MSBNK-Waters-WA000082.txt index eb73b0d2179..57975db9587 100644 --- a/Waters/MSBNK-Waters-WA000082.txt +++ b/Waters/MSBNK-Waters-WA000082.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000082 -RECORD_TITLE: Thiacloprid; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Thiacloprid; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY HOKKPVIRMVDYPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7034961 CH$LINK: ChemOnt CHEMONTID:0003970; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Halopyridines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000083.txt b/Waters/MSBNK-Waters-WA000083.txt index aa8f215bc16..6b81ed164f9 100644 --- a/Waters/MSBNK-Waters-WA000083.txt +++ b/Waters/MSBNK-Waters-WA000083.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000083 -RECORD_TITLE: Thiacloprid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Thiacloprid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY HOKKPVIRMVDYPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7034961 CH$LINK: ChemOnt CHEMONTID:0003970; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Halopyridines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000084.txt b/Waters/MSBNK-Waters-WA000084.txt index a9220a71046..aa9540bc9f8 100644 --- a/Waters/MSBNK-Waters-WA000084.txt +++ b/Waters/MSBNK-Waters-WA000084.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000084 -RECORD_TITLE: Thiacloprid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Thiacloprid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY HOKKPVIRMVDYPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7034961 CH$LINK: ChemOnt CHEMONTID:0003970; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Halopyridines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000085.txt b/Waters/MSBNK-Waters-WA000085.txt index 69c9d16fecc..8f1d7a76531 100644 --- a/Waters/MSBNK-Waters-WA000085.txt +++ b/Waters/MSBNK-Waters-WA000085.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000085 -RECORD_TITLE: Thiacloprid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Thiacloprid; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY HOKKPVIRMVDYPB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7034961 CH$LINK: ChemOnt CHEMONTID:0003970; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Halopyridines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Waters/MSBNK-Waters-WA000086.txt b/Waters/MSBNK-Waters-WA000086.txt index 3f51a0f62cf..0b7331e7c6b 100644 --- a/Waters/MSBNK-Waters-WA000086.txt +++ b/Waters/MSBNK-Waters-WA000086.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000086 -RECORD_TITLE: Thiabendazole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Thiabendazole; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY WJCNZQLZVWNLKY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0021337 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000087.txt b/Waters/MSBNK-Waters-WA000087.txt index 8330542c612..dc08d0004ef 100644 --- a/Waters/MSBNK-Waters-WA000087.txt +++ b/Waters/MSBNK-Waters-WA000087.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000087 -RECORD_TITLE: Thiabendazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Thiabendazole; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY WJCNZQLZVWNLKY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0021337 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000088.txt b/Waters/MSBNK-Waters-WA000088.txt index 66efb389343..07cd366d31c 100644 --- a/Waters/MSBNK-Waters-WA000088.txt +++ b/Waters/MSBNK-Waters-WA000088.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000088 -RECORD_TITLE: Thiabendazole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Thiabendazole; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY WJCNZQLZVWNLKY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0021337 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000089.txt b/Waters/MSBNK-Waters-WA000089.txt index da43c13fa61..db3c51ba714 100644 --- a/Waters/MSBNK-Waters-WA000089.txt +++ b/Waters/MSBNK-Waters-WA000089.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000089 -RECORD_TITLE: Thiabendazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Thiabendazole; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY WJCNZQLZVWNLKY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0021337 CH$LINK: ChemOnt CHEMONTID:0000294; Organic compounds; Organoheterocyclic compounds; Benzimidazoles AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000090.txt b/Waters/MSBNK-Waters-WA000090.txt index 124274cad47..14d36695d19 100644 --- a/Waters/MSBNK-Waters-WA000090.txt +++ b/Waters/MSBNK-Waters-WA000090.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000090 -RECORD_TITLE: Thiamethoxam; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Thiamethoxam; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -13,7 +13,7 @@ CH$LINK: CAS 153719-23-4 CH$LINK: INCHIKEY NWWZPOKUUAIXIW-FLIBITNWSA-N CH$LINK: ChemOnt CHEMONTID:0000095; Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000091.txt b/Waters/MSBNK-Waters-WA000091.txt index f143b6cda1f..d3a1e5228b8 100644 --- a/Waters/MSBNK-Waters-WA000091.txt +++ b/Waters/MSBNK-Waters-WA000091.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000091 -RECORD_TITLE: Thiamethoxam; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Thiamethoxam; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -13,7 +13,7 @@ CH$LINK: CAS 153719-23-4 CH$LINK: INCHIKEY NWWZPOKUUAIXIW-FLIBITNWSA-N CH$LINK: ChemOnt CHEMONTID:0000095; Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000092.txt b/Waters/MSBNK-Waters-WA000092.txt index 0ca093dc959..d7e4fe978d3 100644 --- a/Waters/MSBNK-Waters-WA000092.txt +++ b/Waters/MSBNK-Waters-WA000092.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000092 -RECORD_TITLE: Thiamethoxam; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Thiamethoxam; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -13,7 +13,7 @@ CH$LINK: CAS 153719-23-4 CH$LINK: INCHIKEY NWWZPOKUUAIXIW-FLIBITNWSA-N CH$LINK: ChemOnt CHEMONTID:0000095; Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000093.txt b/Waters/MSBNK-Waters-WA000093.txt index 2a965d6a3e4..434dffc4554 100644 --- a/Waters/MSBNK-Waters-WA000093.txt +++ b/Waters/MSBNK-Waters-WA000093.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000093 -RECORD_TITLE: Thiamethoxam; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Thiamethoxam; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -13,7 +13,7 @@ CH$LINK: CAS 153719-23-4 CH$LINK: INCHIKEY NWWZPOKUUAIXIW-FLIBITNWSA-N CH$LINK: ChemOnt CHEMONTID:0000095; Organic compounds; Organoheterocyclic compounds; Azoles; Thiazoles AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000094.txt b/Waters/MSBNK-Waters-WA000094.txt index 3c1d428eef3..2bb9dbb9ecf 100644 --- a/Waters/MSBNK-Waters-WA000094.txt +++ b/Waters/MSBNK-Waters-WA000094.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000094 -RECORD_TITLE: Tralkoxydim (isomer1); LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Tralkoxydim (isomer1); LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -13,7 +13,7 @@ CH$LINK: CAS 87820-88-0 CH$LINK: INCHIKEY DQFPEYARZIQXRM-LTGZKZEYSA-N CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000095.txt b/Waters/MSBNK-Waters-WA000095.txt index a26ba87913a..12b7ac2127d 100644 --- a/Waters/MSBNK-Waters-WA000095.txt +++ b/Waters/MSBNK-Waters-WA000095.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000095 -RECORD_TITLE: Tralkoxydim (isomer1); LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Tralkoxydim (isomer1); LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -13,7 +13,7 @@ CH$LINK: CAS 87820-88-0 CH$LINK: INCHIKEY DQFPEYARZIQXRM-LTGZKZEYSA-N CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000096.txt b/Waters/MSBNK-Waters-WA000096.txt index a5735fc2614..0bff5360b75 100644 --- a/Waters/MSBNK-Waters-WA000096.txt +++ b/Waters/MSBNK-Waters-WA000096.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000096 -RECORD_TITLE: Tralkoxydim (isomer1); LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Tralkoxydim (isomer1); LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -13,7 +13,7 @@ CH$LINK: CAS 87820-88-0 CH$LINK: INCHIKEY DQFPEYARZIQXRM-LTGZKZEYSA-N CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Waters/MSBNK-Waters-WA000097.txt b/Waters/MSBNK-Waters-WA000097.txt index 36357737234..e0a851c1874 100644 --- a/Waters/MSBNK-Waters-WA000097.txt +++ b/Waters/MSBNK-Waters-WA000097.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000097 -RECORD_TITLE: Tralkoxydim (isomer1); LC-ESI-QQ; MS2; CE:60 V; [M-H]- +RECORD_TITLE: Tralkoxydim (isomer1); LC-ESI-QQQ; MS2; CE:60 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -13,7 +13,7 @@ CH$LINK: CAS 87820-88-0 CH$LINK: INCHIKEY DQFPEYARZIQXRM-LTGZKZEYSA-N CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 V diff --git a/Waters/MSBNK-Waters-WA000098.txt b/Waters/MSBNK-Waters-WA000098.txt index 3fdbe8902be..ae06a689737 100644 --- a/Waters/MSBNK-Waters-WA000098.txt +++ b/Waters/MSBNK-Waters-WA000098.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000098 -RECORD_TITLE: Tralkoxydim (isomer1); LC-ESI-QQ; MS2; CE:70 V; [M-H]- +RECORD_TITLE: Tralkoxydim (isomer1); LC-ESI-QQQ; MS2; CE:70 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -13,7 +13,7 @@ CH$LINK: CAS 87820-88-0 CH$LINK: INCHIKEY DQFPEYARZIQXRM-LTGZKZEYSA-N CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 V diff --git a/Waters/MSBNK-Waters-WA000099.txt b/Waters/MSBNK-Waters-WA000099.txt index 16798204103..8bd57db449b 100644 --- a/Waters/MSBNK-Waters-WA000099.txt +++ b/Waters/MSBNK-Waters-WA000099.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000099 -RECORD_TITLE: Tralkoxydim (isomer1); LC-ESI-QQ; MS2; CE:80 V; [M-H]- +RECORD_TITLE: Tralkoxydim (isomer1); LC-ESI-QQQ; MS2; CE:80 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -13,7 +13,7 @@ CH$LINK: CAS 87820-88-0 CH$LINK: INCHIKEY DQFPEYARZIQXRM-LTGZKZEYSA-N CH$LINK: ChemOnt CHEMONTID:0001831; Organic compounds; Organic oxygen compounds; Organooxygen compounds; Carbonyl compounds AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 V diff --git a/Waters/MSBNK-Waters-WA000100.txt b/Waters/MSBNK-Waters-WA000100.txt index 5b1b79f73f4..3004de4e960 100644 --- a/Waters/MSBNK-Waters-WA000100.txt +++ b/Waters/MSBNK-Waters-WA000100.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000100 -RECORD_TITLE: Tralkoxydim (isomer2); LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Tralkoxydim (isomer2); LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -13,7 +13,7 @@ CH$LINK: CAS 87820-88-0 CH$LINK: INCHIKEY SOTLWPHEAQOHHC-SILNSSARSA-N CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000101.txt b/Waters/MSBNK-Waters-WA000101.txt index 30388446ccb..9697b6e6309 100644 --- a/Waters/MSBNK-Waters-WA000101.txt +++ b/Waters/MSBNK-Waters-WA000101.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000101 -RECORD_TITLE: Tralkoxydim (isomer2); LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Tralkoxydim (isomer2); LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -13,7 +13,7 @@ CH$LINK: CAS 87820-88-0 CH$LINK: INCHIKEY SOTLWPHEAQOHHC-SILNSSARSA-N CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000102.txt b/Waters/MSBNK-Waters-WA000102.txt index f7213671df8..94adcc6155f 100644 --- a/Waters/MSBNK-Waters-WA000102.txt +++ b/Waters/MSBNK-Waters-WA000102.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000102 -RECORD_TITLE: Tralkoxydim (isomer2); LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Tralkoxydim (isomer2); LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -13,7 +13,7 @@ CH$LINK: CAS 87820-88-0 CH$LINK: INCHIKEY SOTLWPHEAQOHHC-SILNSSARSA-N CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000103.txt b/Waters/MSBNK-Waters-WA000103.txt index 0c23cd948b5..8928d93d5a4 100644 --- a/Waters/MSBNK-Waters-WA000103.txt +++ b/Waters/MSBNK-Waters-WA000103.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000103 -RECORD_TITLE: Tralkoxydim (isomer2); LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Tralkoxydim (isomer2); LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -13,7 +13,7 @@ CH$LINK: CAS 87820-88-0 CH$LINK: INCHIKEY SOTLWPHEAQOHHC-SILNSSARSA-N CH$LINK: ChemOnt CHEMONTID:0002279; Organic compounds; Benzenoids; Benzene and substituted derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000104.txt b/Waters/MSBNK-Waters-WA000104.txt index 9df59ac1097..f0c1a6121b6 100644 --- a/Waters/MSBNK-Waters-WA000104.txt +++ b/Waters/MSBNK-Waters-WA000104.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000104 -RECORD_TITLE: Triticonazole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Triticonazole; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -13,7 +13,7 @@ CH$LINK: CAS 131983-72-7 CH$LINK: INCHIKEY PPDBOQMNKNNODG-NTEUORMPSA-N CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000105.txt b/Waters/MSBNK-Waters-WA000105.txt index da934a894a1..304068ca3b9 100644 --- a/Waters/MSBNK-Waters-WA000105.txt +++ b/Waters/MSBNK-Waters-WA000105.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000105 -RECORD_TITLE: Triticonazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Triticonazole; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -13,7 +13,7 @@ CH$LINK: CAS 131983-72-7 CH$LINK: INCHIKEY PPDBOQMNKNNODG-NTEUORMPSA-N CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000106.txt b/Waters/MSBNK-Waters-WA000106.txt index 0e556b8df40..48f72e78cc0 100644 --- a/Waters/MSBNK-Waters-WA000106.txt +++ b/Waters/MSBNK-Waters-WA000106.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000106 -RECORD_TITLE: Triticonazole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Triticonazole; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -13,7 +13,7 @@ CH$LINK: CAS 131983-72-7 CH$LINK: INCHIKEY PPDBOQMNKNNODG-NTEUORMPSA-N CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000107.txt b/Waters/MSBNK-Waters-WA000107.txt index 77eeef674a9..0b021b745c1 100644 --- a/Waters/MSBNK-Waters-WA000107.txt +++ b/Waters/MSBNK-Waters-WA000107.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000107 -RECORD_TITLE: Triticonazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Triticonazole; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -13,7 +13,7 @@ CH$LINK: CAS 131983-72-7 CH$LINK: INCHIKEY PPDBOQMNKNNODG-NTEUORMPSA-N CH$LINK: ChemOnt CHEMONTID:0000035; Organic compounds; Benzenoids; Benzene and substituted derivatives; Halobenzenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000108.txt b/Waters/MSBNK-Waters-WA000108.txt index 75366db0b48..32647755212 100644 --- a/Waters/MSBNK-Waters-WA000108.txt +++ b/Waters/MSBNK-Waters-WA000108.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000108 -RECORD_TITLE: Tridemorph; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Tridemorph; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY YTOPFCCWCSOHFV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3041376 CH$LINK: ChemOnt CHEMONTID:0000392; Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000109.txt b/Waters/MSBNK-Waters-WA000109.txt index 28de4741ef4..6d417ac357b 100644 --- a/Waters/MSBNK-Waters-WA000109.txt +++ b/Waters/MSBNK-Waters-WA000109.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000109 -RECORD_TITLE: Tridemorph; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Tridemorph; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY YTOPFCCWCSOHFV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3041376 CH$LINK: ChemOnt CHEMONTID:0000392; Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000110.txt b/Waters/MSBNK-Waters-WA000110.txt index 1e3e21481bc..17e8fb09838 100644 --- a/Waters/MSBNK-Waters-WA000110.txt +++ b/Waters/MSBNK-Waters-WA000110.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000110 -RECORD_TITLE: Tridemorph; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Tridemorph; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY YTOPFCCWCSOHFV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3041376 CH$LINK: ChemOnt CHEMONTID:0000392; Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000111.txt b/Waters/MSBNK-Waters-WA000111.txt index 0ec5379633e..8b5d15b917e 100644 --- a/Waters/MSBNK-Waters-WA000111.txt +++ b/Waters/MSBNK-Waters-WA000111.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000111 -RECORD_TITLE: Tridemorph; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Tridemorph; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY YTOPFCCWCSOHFV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3041376 CH$LINK: ChemOnt CHEMONTID:0000392; Organic compounds; Organoheterocyclic compounds; Oxazinanes; Morpholines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000112.txt b/Waters/MSBNK-Waters-WA000112.txt index 544da36ee86..00572ade19a 100644 --- a/Waters/MSBNK-Waters-WA000112.txt +++ b/Waters/MSBNK-Waters-WA000112.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000112 -RECORD_TITLE: Naproanilide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Naproanilide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY LVKTWOXHRYGDMM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8058118 CH$LINK: ChemOnt CHEMONTID:0000023; Organic compounds; Benzenoids; Naphthalenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000113.txt b/Waters/MSBNK-Waters-WA000113.txt index 5f103bddb46..f09e3ca4d79 100644 --- a/Waters/MSBNK-Waters-WA000113.txt +++ b/Waters/MSBNK-Waters-WA000113.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000113 -RECORD_TITLE: Naproanilide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Naproanilide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY LVKTWOXHRYGDMM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8058118 CH$LINK: ChemOnt CHEMONTID:0000023; Organic compounds; Benzenoids; Naphthalenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000114.txt b/Waters/MSBNK-Waters-WA000114.txt index 83cc8ee6c3f..99ca2086bb9 100644 --- a/Waters/MSBNK-Waters-WA000114.txt +++ b/Waters/MSBNK-Waters-WA000114.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000114 -RECORD_TITLE: Naproanilide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Naproanilide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY LVKTWOXHRYGDMM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8058118 CH$LINK: ChemOnt CHEMONTID:0000023; Organic compounds; Benzenoids; Naphthalenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000115.txt b/Waters/MSBNK-Waters-WA000115.txt index e0da2522cc2..01916f1146a 100644 --- a/Waters/MSBNK-Waters-WA000115.txt +++ b/Waters/MSBNK-Waters-WA000115.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000115 -RECORD_TITLE: Pyrazolynate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Pyrazolynate; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY ASRAWSBMDXVNLX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1058133 CH$LINK: ChemOnt CHEMONTID:0000321; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000116.txt b/Waters/MSBNK-Waters-WA000116.txt index fdd40f67128..3cb882d08df 100644 --- a/Waters/MSBNK-Waters-WA000116.txt +++ b/Waters/MSBNK-Waters-WA000116.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000116 -RECORD_TITLE: Pyrazolynate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Pyrazolynate; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY ASRAWSBMDXVNLX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1058133 CH$LINK: ChemOnt CHEMONTID:0000321; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000117.txt b/Waters/MSBNK-Waters-WA000117.txt index 2c627880970..5701f5c96f8 100644 --- a/Waters/MSBNK-Waters-WA000117.txt +++ b/Waters/MSBNK-Waters-WA000117.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000117 -RECORD_TITLE: Pyrazolynate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Pyrazolynate; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY ASRAWSBMDXVNLX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1058133 CH$LINK: ChemOnt CHEMONTID:0000321; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000118.txt b/Waters/MSBNK-Waters-WA000118.txt index c2f460bada6..c00bcc42c2d 100644 --- a/Waters/MSBNK-Waters-WA000118.txt +++ b/Waters/MSBNK-Waters-WA000118.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000118 -RECORD_TITLE: Pyrazolynate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Pyrazolynate; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY ASRAWSBMDXVNLX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1058133 CH$LINK: ChemOnt CHEMONTID:0000321; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000119.txt b/Waters/MSBNK-Waters-WA000119.txt index f5cfdb36aec..52b32e482ca 100644 --- a/Waters/MSBNK-Waters-WA000119.txt +++ b/Waters/MSBNK-Waters-WA000119.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000119 -RECORD_TITLE: Pyriftalid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Pyriftalid; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY RRKHIAYNPVQKEF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5057961 CH$LINK: ChemOnt CHEMONTID:0004631; Organic compounds; Organosulfur compounds; Thioethers; Aryl thioethers AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000120.txt b/Waters/MSBNK-Waters-WA000120.txt index 2ba9086d06f..edcb2c0060d 100644 --- a/Waters/MSBNK-Waters-WA000120.txt +++ b/Waters/MSBNK-Waters-WA000120.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000120 -RECORD_TITLE: Pyriftalid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Pyriftalid; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY RRKHIAYNPVQKEF-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5057961 CH$LINK: ChemOnt CHEMONTID:0004631; Organic compounds; Organosulfur compounds; Thioethers; Aryl thioethers AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000121.txt b/Waters/MSBNK-Waters-WA000121.txt index f8da29edfa2..2df480932f1 100644 --- a/Waters/MSBNK-Waters-WA000121.txt +++ b/Waters/MSBNK-Waters-WA000121.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000121 -RECORD_TITLE: Fenoxycarb; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Fenoxycarb; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY HJUFTIJOISQSKQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7032393 CH$LINK: ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000122.txt b/Waters/MSBNK-Waters-WA000122.txt index 8695a2941d5..1354b5164d7 100644 --- a/Waters/MSBNK-Waters-WA000122.txt +++ b/Waters/MSBNK-Waters-WA000122.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000122 -RECORD_TITLE: Fenoxycarb; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Fenoxycarb; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY HJUFTIJOISQSKQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7032393 CH$LINK: ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000123.txt b/Waters/MSBNK-Waters-WA000123.txt index 0aa6c0bfbdb..12434fcd5d0 100644 --- a/Waters/MSBNK-Waters-WA000123.txt +++ b/Waters/MSBNK-Waters-WA000123.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000123 -RECORD_TITLE: Fenoxycarb; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Fenoxycarb; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY HJUFTIJOISQSKQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7032393 CH$LINK: ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000124.txt b/Waters/MSBNK-Waters-WA000124.txt index eeeba59c0e8..7665ce4f5ac 100644 --- a/Waters/MSBNK-Waters-WA000124.txt +++ b/Waters/MSBNK-Waters-WA000124.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000124 -RECORD_TITLE: Fenoxycarb; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Fenoxycarb; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY HJUFTIJOISQSKQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7032393 CH$LINK: ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000125.txt b/Waters/MSBNK-Waters-WA000125.txt index d30ecf526dd..0681ab2cfac 100644 --- a/Waters/MSBNK-Waters-WA000125.txt +++ b/Waters/MSBNK-Waters-WA000125.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000125 -RECORD_TITLE: Ferimzone E; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Ferimzone E; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -13,7 +13,7 @@ CH$LINK: CAS 77359-18-3 CH$LINK: INCHIKEY GOWLARCWZRESHU-QGOAFFKASA-N CH$LINK: ChemOnt CHEMONTID:0001091; Organic compounds; Benzenoids; Benzene and substituted derivatives; Toluenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000126.txt b/Waters/MSBNK-Waters-WA000126.txt index 9d826b951a0..49d172db7c6 100644 --- a/Waters/MSBNK-Waters-WA000126.txt +++ b/Waters/MSBNK-Waters-WA000126.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000126 -RECORD_TITLE: Ferimzone E; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Ferimzone E; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -13,7 +13,7 @@ CH$LINK: CAS 77359-18-3 CH$LINK: INCHIKEY GOWLARCWZRESHU-QGOAFFKASA-N CH$LINK: ChemOnt CHEMONTID:0001091; Organic compounds; Benzenoids; Benzene and substituted derivatives; Toluenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000127.txt b/Waters/MSBNK-Waters-WA000127.txt index 595cb0e96d5..0d7092b5c20 100644 --- a/Waters/MSBNK-Waters-WA000127.txt +++ b/Waters/MSBNK-Waters-WA000127.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000127 -RECORD_TITLE: Ferimzone E; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Ferimzone E; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -13,7 +13,7 @@ CH$LINK: CAS 77359-18-3 CH$LINK: INCHIKEY GOWLARCWZRESHU-QGOAFFKASA-N CH$LINK: ChemOnt CHEMONTID:0001091; Organic compounds; Benzenoids; Benzene and substituted derivatives; Toluenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000128.txt b/Waters/MSBNK-Waters-WA000128.txt index bd6f05c8980..5052731c613 100644 --- a/Waters/MSBNK-Waters-WA000128.txt +++ b/Waters/MSBNK-Waters-WA000128.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000128 -RECORD_TITLE: Ferimzone E; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Ferimzone E; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -13,7 +13,7 @@ CH$LINK: CAS 77359-18-3 CH$LINK: INCHIKEY GOWLARCWZRESHU-QGOAFFKASA-N CH$LINK: ChemOnt CHEMONTID:0001091; Organic compounds; Benzenoids; Benzene and substituted derivatives; Toluenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000129.txt b/Waters/MSBNK-Waters-WA000129.txt index c06552108de..bc4baad2162 100644 --- a/Waters/MSBNK-Waters-WA000129.txt +++ b/Waters/MSBNK-Waters-WA000129.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000129 -RECORD_TITLE: Ferimzone Z; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Ferimzone Z; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY GOWLARCWZRESHU-AQTBWJFISA-N CH$LINK: COMPTOX DTXSID1058210 CH$LINK: ChemOnt CHEMONTID:0001091; Organic compounds; Benzenoids; Benzene and substituted derivatives; Toluenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000130.txt b/Waters/MSBNK-Waters-WA000130.txt index a41f119b99e..af65ca8032b 100644 --- a/Waters/MSBNK-Waters-WA000130.txt +++ b/Waters/MSBNK-Waters-WA000130.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000130 -RECORD_TITLE: Ferimzone Z; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Ferimzone Z; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY GOWLARCWZRESHU-AQTBWJFISA-N CH$LINK: COMPTOX DTXSID1058210 CH$LINK: ChemOnt CHEMONTID:0001091; Organic compounds; Benzenoids; Benzene and substituted derivatives; Toluenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000131.txt b/Waters/MSBNK-Waters-WA000131.txt index f226651f282..803c2d1236f 100644 --- a/Waters/MSBNK-Waters-WA000131.txt +++ b/Waters/MSBNK-Waters-WA000131.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000131 -RECORD_TITLE: Ferimzone Z; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Ferimzone Z; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY GOWLARCWZRESHU-AQTBWJFISA-N CH$LINK: COMPTOX DTXSID1058210 CH$LINK: ChemOnt CHEMONTID:0001091; Organic compounds; Benzenoids; Benzene and substituted derivatives; Toluenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000132.txt b/Waters/MSBNK-Waters-WA000132.txt index 4ed9eb7cf26..17435eb5e4e 100644 --- a/Waters/MSBNK-Waters-WA000132.txt +++ b/Waters/MSBNK-Waters-WA000132.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000132 -RECORD_TITLE: Ferimzone Z; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Ferimzone Z; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY GOWLARCWZRESHU-AQTBWJFISA-N CH$LINK: COMPTOX DTXSID1058210 CH$LINK: ChemOnt CHEMONTID:0001091; Organic compounds; Benzenoids; Benzene and substituted derivatives; Toluenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000133.txt b/Waters/MSBNK-Waters-WA000133.txt index 553f1ecca14..b5ad86cd741 100644 --- a/Waters/MSBNK-Waters-WA000133.txt +++ b/Waters/MSBNK-Waters-WA000133.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000133 -RECORD_TITLE: Phenmedipham; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Phenmedipham; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY IDOWTHOLJBTAFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024255 CH$LINK: ChemOnt CHEMONTID:0004714; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylcarbamic acid esters AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000134.txt b/Waters/MSBNK-Waters-WA000134.txt index 5b7b97b0f19..e652e44bb48 100644 --- a/Waters/MSBNK-Waters-WA000134.txt +++ b/Waters/MSBNK-Waters-WA000134.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000134 -RECORD_TITLE: Phenmedipham; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Phenmedipham; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY IDOWTHOLJBTAFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024255 CH$LINK: ChemOnt CHEMONTID:0004714; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylcarbamic acid esters AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000135.txt b/Waters/MSBNK-Waters-WA000135.txt index f42915a80d2..7772967a08c 100644 --- a/Waters/MSBNK-Waters-WA000135.txt +++ b/Waters/MSBNK-Waters-WA000135.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000135 -RECORD_TITLE: Phenmedipham; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Phenmedipham; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY IDOWTHOLJBTAFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024255 CH$LINK: ChemOnt CHEMONTID:0004714; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylcarbamic acid esters AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000136.txt b/Waters/MSBNK-Waters-WA000136.txt index 280402c1a27..ae926745457 100644 --- a/Waters/MSBNK-Waters-WA000136.txt +++ b/Waters/MSBNK-Waters-WA000136.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000136 -RECORD_TITLE: Phenmedipham; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Phenmedipham; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY IDOWTHOLJBTAFI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024255 CH$LINK: ChemOnt CHEMONTID:0004714; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenylcarbamic acid esters AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000137.txt b/Waters/MSBNK-Waters-WA000137.txt index b85b3c0136f..b7930fd31bb 100644 --- a/Waters/MSBNK-Waters-WA000137.txt +++ b/Waters/MSBNK-Waters-WA000137.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000137 -RECORD_TITLE: Butafenacil; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Butafenacil; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY JEDYYFXHPAIBGR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034365 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000138.txt b/Waters/MSBNK-Waters-WA000138.txt index 8cf1a7bd140..e51c99e4875 100644 --- a/Waters/MSBNK-Waters-WA000138.txt +++ b/Waters/MSBNK-Waters-WA000138.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000138 -RECORD_TITLE: Butafenacil; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Butafenacil; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY JEDYYFXHPAIBGR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034365 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000139.txt b/Waters/MSBNK-Waters-WA000139.txt index 183c9092125..6ba0cb1c08f 100644 --- a/Waters/MSBNK-Waters-WA000139.txt +++ b/Waters/MSBNK-Waters-WA000139.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000139 -RECORD_TITLE: Butafenacil; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Butafenacil; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY JEDYYFXHPAIBGR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034365 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000140.txt b/Waters/MSBNK-Waters-WA000140.txt index b4f95fa064a..eb7b0bf23b8 100644 --- a/Waters/MSBNK-Waters-WA000140.txt +++ b/Waters/MSBNK-Waters-WA000140.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000140 -RECORD_TITLE: Butafenacil; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Butafenacil; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY JEDYYFXHPAIBGR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034365 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Waters/MSBNK-Waters-WA000141.txt b/Waters/MSBNK-Waters-WA000141.txt index a6f748f0a9a..d26a91801a2 100644 --- a/Waters/MSBNK-Waters-WA000141.txt +++ b/Waters/MSBNK-Waters-WA000141.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000141 -RECORD_TITLE: Furathiocarb; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Furathiocarb; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY HAWJXYBZNNRMNO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3052725 CH$LINK: ChemOnt CHEMONTID:0004189; Organic compounds; Organoheterocyclic compounds; Coumarans AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000142.txt b/Waters/MSBNK-Waters-WA000142.txt index c5a092a3eba..f99f7b8da1d 100644 --- a/Waters/MSBNK-Waters-WA000142.txt +++ b/Waters/MSBNK-Waters-WA000142.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000142 -RECORD_TITLE: Furathiocarb; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Furathiocarb; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY HAWJXYBZNNRMNO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3052725 CH$LINK: ChemOnt CHEMONTID:0004189; Organic compounds; Organoheterocyclic compounds; Coumarans AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000143.txt b/Waters/MSBNK-Waters-WA000143.txt index 0c7baf170af..71b2abf8976 100644 --- a/Waters/MSBNK-Waters-WA000143.txt +++ b/Waters/MSBNK-Waters-WA000143.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000143 -RECORD_TITLE: Furathiocarb; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Furathiocarb; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY HAWJXYBZNNRMNO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3052725 CH$LINK: ChemOnt CHEMONTID:0004189; Organic compounds; Organoheterocyclic compounds; Coumarans AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000144.txt b/Waters/MSBNK-Waters-WA000144.txt index e3fe668c431..0834aa727fd 100644 --- a/Waters/MSBNK-Waters-WA000144.txt +++ b/Waters/MSBNK-Waters-WA000144.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000144 -RECORD_TITLE: Furathiocarb; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Furathiocarb; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY HAWJXYBZNNRMNO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3052725 CH$LINK: ChemOnt CHEMONTID:0004189; Organic compounds; Organoheterocyclic compounds; Coumarans AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000145.txt b/Waters/MSBNK-Waters-WA000145.txt index 2e5d13fab9c..c09d0e77595 100644 --- a/Waters/MSBNK-Waters-WA000145.txt +++ b/Waters/MSBNK-Waters-WA000145.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000145 -RECORD_TITLE: Benzofenap; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Benzofenap; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY JDWQITFHZOBBFE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058193 CH$LINK: ChemOnt CHEMONTID:0000321; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000146.txt b/Waters/MSBNK-Waters-WA000146.txt index 64b44f93499..f691c1074d0 100644 --- a/Waters/MSBNK-Waters-WA000146.txt +++ b/Waters/MSBNK-Waters-WA000146.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000146 -RECORD_TITLE: Benzofenap; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Benzofenap; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY JDWQITFHZOBBFE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058193 CH$LINK: ChemOnt CHEMONTID:0000321; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000147.txt b/Waters/MSBNK-Waters-WA000147.txt index 5de84ad9bfb..6b25eca7976 100644 --- a/Waters/MSBNK-Waters-WA000147.txt +++ b/Waters/MSBNK-Waters-WA000147.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000147 -RECORD_TITLE: Benzofenap; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Benzofenap; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY JDWQITFHZOBBFE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058193 CH$LINK: ChemOnt CHEMONTID:0000321; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000148.txt b/Waters/MSBNK-Waters-WA000148.txt index 83c4f53c8e9..9d76a3cd9f8 100644 --- a/Waters/MSBNK-Waters-WA000148.txt +++ b/Waters/MSBNK-Waters-WA000148.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000148 -RECORD_TITLE: Benzofenap; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Benzofenap; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY JDWQITFHZOBBFE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5058193 CH$LINK: ChemOnt CHEMONTID:0000321; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoyl derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000149.txt b/Waters/MSBNK-Waters-WA000149.txt index 095d88011b9..e427fc3b3fe 100644 --- a/Waters/MSBNK-Waters-WA000149.txt +++ b/Waters/MSBNK-Waters-WA000149.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000149 -RECORD_TITLE: Milbemycin A3; LC-ESI-QQ; MS2; CE:10 V; [M+H-H2O]+ +RECORD_TITLE: Milbemycin A3; LC-ESI-QQQ; MS2; CE:10 V; [M+H-H2O]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -13,7 +13,7 @@ CH$LINK: CAS 51596-10-2 CH$LINK: INCHIKEY ZLBGSRMUSVULIE-GSMJGMFJSA-N CH$LINK: COMPTOX DTXSID1058391 AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000150.txt b/Waters/MSBNK-Waters-WA000150.txt index d51cb128411..5e3174714e8 100644 --- a/Waters/MSBNK-Waters-WA000150.txt +++ b/Waters/MSBNK-Waters-WA000150.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000150 -RECORD_TITLE: Milbemycin A3; LC-ESI-QQ; MS2; CE:20 V; [M+H-H2O]+ +RECORD_TITLE: Milbemycin A3; LC-ESI-QQQ; MS2; CE:20 V; [M+H-H2O]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -13,7 +13,7 @@ CH$LINK: CAS 51596-10-2 CH$LINK: INCHIKEY ZLBGSRMUSVULIE-GSMJGMFJSA-N CH$LINK: COMPTOX DTXSID1058391 AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000151.txt b/Waters/MSBNK-Waters-WA000151.txt index cbbe2f359ca..38811f793ea 100644 --- a/Waters/MSBNK-Waters-WA000151.txt +++ b/Waters/MSBNK-Waters-WA000151.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000151 -RECORD_TITLE: Milbemycin A3; LC-ESI-QQ; MS2; CE:30 V; [M+H-H2O]+ +RECORD_TITLE: Milbemycin A3; LC-ESI-QQQ; MS2; CE:30 V; [M+H-H2O]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -13,7 +13,7 @@ CH$LINK: CAS 51596-10-2 CH$LINK: INCHIKEY ZLBGSRMUSVULIE-GSMJGMFJSA-N CH$LINK: COMPTOX DTXSID1058391 AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000152.txt b/Waters/MSBNK-Waters-WA000152.txt index 38feb262d64..c9ef71809f3 100644 --- a/Waters/MSBNK-Waters-WA000152.txt +++ b/Waters/MSBNK-Waters-WA000152.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000152 -RECORD_TITLE: Milbemycin A4; LC-ESI-QQ; MS2; CE:10 V; [M+H-H2O]+ +RECORD_TITLE: Milbemycin A4; LC-ESI-QQQ; MS2; CE:10 V; [M+H-H2O]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY VOZIAWLUULBIPN-LRBNAKOISA-N CH$LINK: COMPTOX DTXSID4052760 CH$LINK: ChemOnt CHEMONTID:0002902; Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Milbemycins AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000153.txt b/Waters/MSBNK-Waters-WA000153.txt index 3584631f8ae..1e2acb739df 100644 --- a/Waters/MSBNK-Waters-WA000153.txt +++ b/Waters/MSBNK-Waters-WA000153.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000153 -RECORD_TITLE: Milbemycin A4; LC-ESI-QQ; MS2; CE:20 V; [M+H-H2O]+ +RECORD_TITLE: Milbemycin A4; LC-ESI-QQQ; MS2; CE:20 V; [M+H-H2O]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY VOZIAWLUULBIPN-LRBNAKOISA-N CH$LINK: COMPTOX DTXSID4052760 CH$LINK: ChemOnt CHEMONTID:0002902; Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Milbemycins AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000154.txt b/Waters/MSBNK-Waters-WA000154.txt index 24be997ea0a..6b81c1d2ffc 100644 --- a/Waters/MSBNK-Waters-WA000154.txt +++ b/Waters/MSBNK-Waters-WA000154.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000154 -RECORD_TITLE: Milbemycin A4; LC-ESI-QQ; MS2; CE:30 V; [M+H-H2O]+ +RECORD_TITLE: Milbemycin A4; LC-ESI-QQQ; MS2; CE:30 V; [M+H-H2O]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY VOZIAWLUULBIPN-LRBNAKOISA-N CH$LINK: COMPTOX DTXSID4052760 CH$LINK: ChemOnt CHEMONTID:0002902; Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Milbemycins AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000155.txt b/Waters/MSBNK-Waters-WA000155.txt index e4f3b458e79..384dad523d5 100644 --- a/Waters/MSBNK-Waters-WA000155.txt +++ b/Waters/MSBNK-Waters-WA000155.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000155 -RECORD_TITLE: Milbemycin A4; LC-ESI-QQ; MS2; CE:40 V; [M+H-H2O]+ +RECORD_TITLE: Milbemycin A4; LC-ESI-QQQ; MS2; CE:40 V; [M+H-H2O]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY VOZIAWLUULBIPN-LRBNAKOISA-N CH$LINK: COMPTOX DTXSID4052760 CH$LINK: ChemOnt CHEMONTID:0002902; Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Milbemycins AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000156.txt b/Waters/MSBNK-Waters-WA000156.txt index 901afcdf9f4..91fc958afb5 100644 --- a/Waters/MSBNK-Waters-WA000156.txt +++ b/Waters/MSBNK-Waters-WA000156.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000156 -RECORD_TITLE: Milbemycin A4; LC-ESI-QQ; MS2; CE:50 V; [M+H-H2O]+ +RECORD_TITLE: Milbemycin A4; LC-ESI-QQQ; MS2; CE:50 V; [M+H-H2O]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY VOZIAWLUULBIPN-LRBNAKOISA-N CH$LINK: COMPTOX DTXSID4052760 CH$LINK: ChemOnt CHEMONTID:0002902; Organic compounds; Phenylpropanoids and polyketides; Macrolides and analogues; Milbemycins AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Waters/MSBNK-Waters-WA000157.txt b/Waters/MSBNK-Waters-WA000157.txt index 3103f4c7825..9d61457a91b 100644 --- a/Waters/MSBNK-Waters-WA000157.txt +++ b/Waters/MSBNK-Waters-WA000157.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000157 -RECORD_TITLE: Lactofen; LC-ESI-QQ; MS2; CE:10 V; [M+NH4]+ +RECORD_TITLE: Lactofen; LC-ESI-QQQ; MS2; CE:10 V; [M+NH4]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY CONWAEURSVPLRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7024160 CH$LINK: ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000158.txt b/Waters/MSBNK-Waters-WA000158.txt index e2ca0bca613..6a4cdf21b65 100644 --- a/Waters/MSBNK-Waters-WA000158.txt +++ b/Waters/MSBNK-Waters-WA000158.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000158 -RECORD_TITLE: Lactofen; LC-ESI-QQ; MS2; CE:20 V; [M+NH4]+ +RECORD_TITLE: Lactofen; LC-ESI-QQQ; MS2; CE:20 V; [M+NH4]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY CONWAEURSVPLRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7024160 CH$LINK: ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000159.txt b/Waters/MSBNK-Waters-WA000159.txt index 660c509b12d..c996f0e78bd 100644 --- a/Waters/MSBNK-Waters-WA000159.txt +++ b/Waters/MSBNK-Waters-WA000159.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000159 -RECORD_TITLE: Lactofen; LC-ESI-QQ; MS2; CE:30 V; [M+NH4]+ +RECORD_TITLE: Lactofen; LC-ESI-QQQ; MS2; CE:30 V; [M+NH4]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY CONWAEURSVPLRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7024160 CH$LINK: ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000160.txt b/Waters/MSBNK-Waters-WA000160.txt index 0a2690c0f40..dd5a23d40f9 100644 --- a/Waters/MSBNK-Waters-WA000160.txt +++ b/Waters/MSBNK-Waters-WA000160.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000160 -RECORD_TITLE: Lactofen; LC-ESI-QQ; MS2; CE:40 V; [M+NH4]+ +RECORD_TITLE: Lactofen; LC-ESI-QQQ; MS2; CE:40 V; [M+NH4]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY CONWAEURSVPLRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7024160 CH$LINK: ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000161.txt b/Waters/MSBNK-Waters-WA000161.txt index d75aa2cc1fa..af069bfaa10 100644 --- a/Waters/MSBNK-Waters-WA000161.txt +++ b/Waters/MSBNK-Waters-WA000161.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000161 -RECORD_TITLE: Methoxyfenozide; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Methoxyfenozide; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY QCAWEPFNJXQPAN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3032628 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000162.txt b/Waters/MSBNK-Waters-WA000162.txt index 655b427c5e8..94871c812f6 100644 --- a/Waters/MSBNK-Waters-WA000162.txt +++ b/Waters/MSBNK-Waters-WA000162.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000162 -RECORD_TITLE: Methoxyfenozide; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Methoxyfenozide; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY QCAWEPFNJXQPAN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3032628 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000163.txt b/Waters/MSBNK-Waters-WA000163.txt index bee3c243847..30ccd390e7f 100644 --- a/Waters/MSBNK-Waters-WA000163.txt +++ b/Waters/MSBNK-Waters-WA000163.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000163 -RECORD_TITLE: Methoxyfenozide; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Methoxyfenozide; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY QCAWEPFNJXQPAN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3032628 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000164.txt b/Waters/MSBNK-Waters-WA000164.txt index 29b843deb92..ad77e55de09 100644 --- a/Waters/MSBNK-Waters-WA000164.txt +++ b/Waters/MSBNK-Waters-WA000164.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000164 -RECORD_TITLE: Methoxyfenozide; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Methoxyfenozide; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY QCAWEPFNJXQPAN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3032628 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000165.txt b/Waters/MSBNK-Waters-WA000165.txt index 37b71e2570a..8c641b129f4 100644 --- a/Waters/MSBNK-Waters-WA000165.txt +++ b/Waters/MSBNK-Waters-WA000165.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000165 -RECORD_TITLE: Methoxyfenozide; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Methoxyfenozide; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY QCAWEPFNJXQPAN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3032628 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Waters/MSBNK-Waters-WA000166.txt b/Waters/MSBNK-Waters-WA000166.txt index 1fa674ba62e..2e35d983d0b 100644 --- a/Waters/MSBNK-Waters-WA000166.txt +++ b/Waters/MSBNK-Waters-WA000166.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000166 -RECORD_TITLE: Methoxyfenozide; LC-ESI-QQ; MS2; CE:60 V; [M+H]+ +RECORD_TITLE: Methoxyfenozide; LC-ESI-QQQ; MS2; CE:60 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY QCAWEPFNJXQPAN-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3032628 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 V diff --git a/Waters/MSBNK-Waters-WA000167.txt b/Waters/MSBNK-Waters-WA000167.txt index 41d68b436a5..0dfcf60cbe2 100644 --- a/Waters/MSBNK-Waters-WA000167.txt +++ b/Waters/MSBNK-Waters-WA000167.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000167 -RECORD_TITLE: 1-Naphthaleneacetic acid; LC-ESI-QQ; MS2; CE:5 V; [M-H]- +RECORD_TITLE: 1-Naphthaleneacetic acid; LC-ESI-QQQ; MS2; CE:5 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY PRPINYUDVPFIRX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020915 CH$LINK: ChemOnt CHEMONTID:0000023; Organic compounds; Benzenoids; Naphthalenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/Waters/MSBNK-Waters-WA000168.txt b/Waters/MSBNK-Waters-WA000168.txt index de760591864..16e8b73c3ef 100644 --- a/Waters/MSBNK-Waters-WA000168.txt +++ b/Waters/MSBNK-Waters-WA000168.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000168 -RECORD_TITLE: 1-Naphthaleneacetic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 1-Naphthaleneacetic acid; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY PRPINYUDVPFIRX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020915 CH$LINK: ChemOnt CHEMONTID:0000023; Organic compounds; Benzenoids; Naphthalenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000169.txt b/Waters/MSBNK-Waters-WA000169.txt index 230fd1941e5..a7d17e42555 100644 --- a/Waters/MSBNK-Waters-WA000169.txt +++ b/Waters/MSBNK-Waters-WA000169.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000169 -RECORD_TITLE: 1-Naphthaleneacetic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 1-Naphthaleneacetic acid; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY PRPINYUDVPFIRX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020915 CH$LINK: ChemOnt CHEMONTID:0000023; Organic compounds; Benzenoids; Naphthalenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000170.txt b/Waters/MSBNK-Waters-WA000170.txt index 468dc61a136..25edbdb1a4c 100644 --- a/Waters/MSBNK-Waters-WA000170.txt +++ b/Waters/MSBNK-Waters-WA000170.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000170 -RECORD_TITLE: 1-Naphthaleneacetic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 1-Naphthaleneacetic acid; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY PRPINYUDVPFIRX-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8020915 CH$LINK: ChemOnt CHEMONTID:0000023; Organic compounds; Benzenoids; Naphthalenes AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000171.txt b/Waters/MSBNK-Waters-WA000171.txt index 9bf3326786c..eb91dd72acf 100644 --- a/Waters/MSBNK-Waters-WA000171.txt +++ b/Waters/MSBNK-Waters-WA000171.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000171 -RECORD_TITLE: 4-CPA; LC-ESI-QQ; MS2; CE:5 V; [M-H]- +RECORD_TITLE: 4-CPA; LC-ESI-QQQ; MS2; CE:5 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY SODPIMGUZLOIPE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034282 CH$LINK: ChemOnt CHEMONTID:0000417; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/Waters/MSBNK-Waters-WA000172.txt b/Waters/MSBNK-Waters-WA000172.txt index 96f110d018f..38bdbcab552 100644 --- a/Waters/MSBNK-Waters-WA000172.txt +++ b/Waters/MSBNK-Waters-WA000172.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000172 -RECORD_TITLE: 4-CPA; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: 4-CPA; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY SODPIMGUZLOIPE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034282 CH$LINK: ChemOnt CHEMONTID:0000417; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000173.txt b/Waters/MSBNK-Waters-WA000173.txt index ad957976d79..0db8b8ff2e6 100644 --- a/Waters/MSBNK-Waters-WA000173.txt +++ b/Waters/MSBNK-Waters-WA000173.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000173 -RECORD_TITLE: 4-CPA; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: 4-CPA; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY SODPIMGUZLOIPE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034282 CH$LINK: ChemOnt CHEMONTID:0000417; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000174.txt b/Waters/MSBNK-Waters-WA000174.txt index 0eff7baa990..defd188063a 100644 --- a/Waters/MSBNK-Waters-WA000174.txt +++ b/Waters/MSBNK-Waters-WA000174.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000174 -RECORD_TITLE: 4-CPA; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: 4-CPA; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY SODPIMGUZLOIPE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034282 CH$LINK: ChemOnt CHEMONTID:0000417; Organic compounds; Benzenoids; Benzene and substituted derivatives; Phenoxyacetic acid derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000175.txt b/Waters/MSBNK-Waters-WA000175.txt index bda43fe145d..5f4dfcb891c 100644 --- a/Waters/MSBNK-Waters-WA000175.txt +++ b/Waters/MSBNK-Waters-WA000175.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000175 -RECORD_TITLE: MCPB; LC-ESI-QQ; MS2; CE:5 V; [M-H]- +RECORD_TITLE: MCPB; LC-ESI-QQQ; MS2; CE:5 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY LLWADFLAOKUBDR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024193 CH$LINK: ChemOnt CHEMONTID:0002341; Organic compounds; Benzenoids; Phenol ethers AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/Waters/MSBNK-Waters-WA000176.txt b/Waters/MSBNK-Waters-WA000176.txt index 7c6e88410f1..71b4b7b7e55 100644 --- a/Waters/MSBNK-Waters-WA000176.txt +++ b/Waters/MSBNK-Waters-WA000176.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000176 -RECORD_TITLE: MCPB; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: MCPB; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY LLWADFLAOKUBDR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024193 CH$LINK: ChemOnt CHEMONTID:0002341; Organic compounds; Benzenoids; Phenol ethers AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000177.txt b/Waters/MSBNK-Waters-WA000177.txt index c0dad545db3..ef9d2b89d69 100644 --- a/Waters/MSBNK-Waters-WA000177.txt +++ b/Waters/MSBNK-Waters-WA000177.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000177 -RECORD_TITLE: MCPB; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: MCPB; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY LLWADFLAOKUBDR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024193 CH$LINK: ChemOnt CHEMONTID:0002341; Organic compounds; Benzenoids; Phenol ethers AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000178.txt b/Waters/MSBNK-Waters-WA000178.txt index b15b9ee9790..3960863fcb0 100644 --- a/Waters/MSBNK-Waters-WA000178.txt +++ b/Waters/MSBNK-Waters-WA000178.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000178 -RECORD_TITLE: MCPB; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: MCPB; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY LLWADFLAOKUBDR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4024193 CH$LINK: ChemOnt CHEMONTID:0002341; Organic compounds; Benzenoids; Phenol ethers AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000179.txt b/Waters/MSBNK-Waters-WA000179.txt index 41b1fb66333..f8bf2e740c4 100644 --- a/Waters/MSBNK-Waters-WA000179.txt +++ b/Waters/MSBNK-Waters-WA000179.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000179 -RECORD_TITLE: Ioxynil; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Ioxynil; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY NRXQIUSYPAHGNM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022161 CH$LINK: ChemOnt CHEMONTID:0001530; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzonitriles AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000180.txt b/Waters/MSBNK-Waters-WA000180.txt index 232514adec7..83c93f78274 100644 --- a/Waters/MSBNK-Waters-WA000180.txt +++ b/Waters/MSBNK-Waters-WA000180.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000180 -RECORD_TITLE: Ioxynil; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Ioxynil; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY NRXQIUSYPAHGNM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022161 CH$LINK: ChemOnt CHEMONTID:0001530; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzonitriles AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000181.txt b/Waters/MSBNK-Waters-WA000181.txt index f4e17a6e2ec..3e1bf3e3877 100644 --- a/Waters/MSBNK-Waters-WA000181.txt +++ b/Waters/MSBNK-Waters-WA000181.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000181 -RECORD_TITLE: Ioxynil; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Ioxynil; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY NRXQIUSYPAHGNM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022161 CH$LINK: ChemOnt CHEMONTID:0001530; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzonitriles AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000182.txt b/Waters/MSBNK-Waters-WA000182.txt index b4e6035c5c1..3c1421cca99 100644 --- a/Waters/MSBNK-Waters-WA000182.txt +++ b/Waters/MSBNK-Waters-WA000182.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000182 -RECORD_TITLE: Ioxynil; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Ioxynil; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY NRXQIUSYPAHGNM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022161 CH$LINK: ChemOnt CHEMONTID:0001530; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzonitriles AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000183.txt b/Waters/MSBNK-Waters-WA000183.txt index eb39aeee046..644a1a89051 100644 --- a/Waters/MSBNK-Waters-WA000183.txt +++ b/Waters/MSBNK-Waters-WA000183.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000183 -RECORD_TITLE: Ioxynil; LC-ESI-QQ; MS2; CE:50 V; [M-H]- +RECORD_TITLE: Ioxynil; LC-ESI-QQQ; MS2; CE:50 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY NRXQIUSYPAHGNM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8022161 CH$LINK: ChemOnt CHEMONTID:0001530; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzonitriles AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Waters/MSBNK-Waters-WA000184.txt b/Waters/MSBNK-Waters-WA000184.txt index 2c11e1bc4dd..ca500d29a75 100644 --- a/Waters/MSBNK-Waters-WA000184.txt +++ b/Waters/MSBNK-Waters-WA000184.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000184 -RECORD_TITLE: Acifluorfen; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Acifluorfen; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY NUFNQYOELLVIPL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020022 CH$LINK: ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000185.txt b/Waters/MSBNK-Waters-WA000185.txt index b2e725f0d0d..20dead50abc 100644 --- a/Waters/MSBNK-Waters-WA000185.txt +++ b/Waters/MSBNK-Waters-WA000185.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000185 -RECORD_TITLE: Acifluorfen; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Acifluorfen; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY NUFNQYOELLVIPL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020022 CH$LINK: ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000186.txt b/Waters/MSBNK-Waters-WA000186.txt index aa150c21bde..168d02f7496 100644 --- a/Waters/MSBNK-Waters-WA000186.txt +++ b/Waters/MSBNK-Waters-WA000186.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000186 -RECORD_TITLE: Acifluorfen; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Acifluorfen; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY NUFNQYOELLVIPL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020022 CH$LINK: ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000187.txt b/Waters/MSBNK-Waters-WA000187.txt index a359fb62a81..92a30ee63fd 100644 --- a/Waters/MSBNK-Waters-WA000187.txt +++ b/Waters/MSBNK-Waters-WA000187.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000187 -RECORD_TITLE: Acifluorfen; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Acifluorfen; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY NUFNQYOELLVIPL-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020022 CH$LINK: ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000188.txt b/Waters/MSBNK-Waters-WA000188.txt index 4f612cb21e8..8c2a53bcf78 100644 --- a/Waters/MSBNK-Waters-WA000188.txt +++ b/Waters/MSBNK-Waters-WA000188.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000188 -RECORD_TITLE: Imazaquin; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Imazaquin; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY CABMTIJINOIHOD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3024152 CH$LINK: ChemOnt CHEMONTID:0002552; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000189.txt b/Waters/MSBNK-Waters-WA000189.txt index 0b1db5d7418..aa29c4bbed9 100644 --- a/Waters/MSBNK-Waters-WA000189.txt +++ b/Waters/MSBNK-Waters-WA000189.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000189 -RECORD_TITLE: Imazaquin; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Imazaquin; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY CABMTIJINOIHOD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3024152 CH$LINK: ChemOnt CHEMONTID:0002552; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000190.txt b/Waters/MSBNK-Waters-WA000190.txt index c651474c688..a93cd3622da 100644 --- a/Waters/MSBNK-Waters-WA000190.txt +++ b/Waters/MSBNK-Waters-WA000190.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000190 -RECORD_TITLE: Imazaquin; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Imazaquin; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY CABMTIJINOIHOD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3024152 CH$LINK: ChemOnt CHEMONTID:0002552; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000191.txt b/Waters/MSBNK-Waters-WA000191.txt index c24d4458f49..17cdeafb44d 100644 --- a/Waters/MSBNK-Waters-WA000191.txt +++ b/Waters/MSBNK-Waters-WA000191.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000191 -RECORD_TITLE: Imazaquin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Imazaquin; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY CABMTIJINOIHOD-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3024152 CH$LINK: ChemOnt CHEMONTID:0002552; Organic compounds; Organoheterocyclic compounds; Quinolines and derivatives; Quinoline carboxylic acids AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000192.txt b/Waters/MSBNK-Waters-WA000192.txt index 852505a3ba7..92ae67d1e07 100644 --- a/Waters/MSBNK-Waters-WA000192.txt +++ b/Waters/MSBNK-Waters-WA000192.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000192 -RECORD_TITLE: Cloprop; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Cloprop; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY YNTJKQDWYXUTLZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034232 CH$LINK: ChemOnt CHEMONTID:0004676; Organic compounds; Benzenoids; Benzene and substituted derivatives; 2-phenoxypropionic acids AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000193.txt b/Waters/MSBNK-Waters-WA000193.txt index ca03d3c9170..b7ba8bf98ab 100644 --- a/Waters/MSBNK-Waters-WA000193.txt +++ b/Waters/MSBNK-Waters-WA000193.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000193 -RECORD_TITLE: Cloprop; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Cloprop; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY YNTJKQDWYXUTLZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034232 CH$LINK: ChemOnt CHEMONTID:0004676; Organic compounds; Benzenoids; Benzene and substituted derivatives; 2-phenoxypropionic acids AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000194.txt b/Waters/MSBNK-Waters-WA000194.txt index 33faba0929d..12bdb9a9e9b 100644 --- a/Waters/MSBNK-Waters-WA000194.txt +++ b/Waters/MSBNK-Waters-WA000194.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000194 -RECORD_TITLE: Cloprop; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Cloprop; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY YNTJKQDWYXUTLZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034232 CH$LINK: ChemOnt CHEMONTID:0004676; Organic compounds; Benzenoids; Benzene and substituted derivatives; 2-phenoxypropionic acids AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000195.txt b/Waters/MSBNK-Waters-WA000195.txt index e703081b51c..f3790807dff 100644 --- a/Waters/MSBNK-Waters-WA000195.txt +++ b/Waters/MSBNK-Waters-WA000195.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000195 -RECORD_TITLE: Cloprop; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Cloprop; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY YNTJKQDWYXUTLZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9034232 CH$LINK: ChemOnt CHEMONTID:0004676; Organic compounds; Benzenoids; Benzene and substituted derivatives; 2-phenoxypropionic acids AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000196.txt b/Waters/MSBNK-Waters-WA000196.txt index 74ccf2331fc..e65f13e040e 100644 --- a/Waters/MSBNK-Waters-WA000196.txt +++ b/Waters/MSBNK-Waters-WA000196.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000196 -RECORD_TITLE: Cloransulam-methyl; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Cloransulam-methyl; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY BIKACRYIQSLICJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8034372 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000197.txt b/Waters/MSBNK-Waters-WA000197.txt index 4d054e1331d..2ef836abe9c 100644 --- a/Waters/MSBNK-Waters-WA000197.txt +++ b/Waters/MSBNK-Waters-WA000197.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000197 -RECORD_TITLE: Cloransulam-methyl; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Cloransulam-methyl; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY BIKACRYIQSLICJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8034372 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000198.txt b/Waters/MSBNK-Waters-WA000198.txt index 80eff6ca3ae..4940c51031e 100644 --- a/Waters/MSBNK-Waters-WA000198.txt +++ b/Waters/MSBNK-Waters-WA000198.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000198 -RECORD_TITLE: Cloransulam-methyl; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Cloransulam-methyl; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY BIKACRYIQSLICJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8034372 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000199.txt b/Waters/MSBNK-Waters-WA000199.txt index 6a64693c823..3863e0b96b9 100644 --- a/Waters/MSBNK-Waters-WA000199.txt +++ b/Waters/MSBNK-Waters-WA000199.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000199 -RECORD_TITLE: Cloransulam-methyl; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Cloransulam-methyl; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY BIKACRYIQSLICJ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8034372 CH$LINK: ChemOnt CHEMONTID:0000176; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzoic acids and derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000200.txt b/Waters/MSBNK-Waters-WA000200.txt index 0b4d018240e..3810389fde6 100644 --- a/Waters/MSBNK-Waters-WA000200.txt +++ b/Waters/MSBNK-Waters-WA000200.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000200 -RECORD_TITLE: Cyclanilide; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Cyclanilide; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -13,7 +13,7 @@ CH$LINK: CAS 113136-77-9 CH$LINK: INCHIKEY ZDPIRDKFNASDAO-UHFFFAOYSA-N CH$LINK: ChemOnt CHEMONTID:0000285; Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000201.txt b/Waters/MSBNK-Waters-WA000201.txt index f2602b30a56..a0a475e7df4 100644 --- a/Waters/MSBNK-Waters-WA000201.txt +++ b/Waters/MSBNK-Waters-WA000201.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000201 -RECORD_TITLE: Cyclanilide; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Cyclanilide; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY GLWWLNJJJCTFMZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5032600 CH$LINK: ChemOnt CHEMONTID:0000285; Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000202.txt b/Waters/MSBNK-Waters-WA000202.txt index 230cfc09f15..c7e01f20452 100644 --- a/Waters/MSBNK-Waters-WA000202.txt +++ b/Waters/MSBNK-Waters-WA000202.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000202 -RECORD_TITLE: Cyclanilide; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Cyclanilide; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY GLWWLNJJJCTFMZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5032600 CH$LINK: ChemOnt CHEMONTID:0000285; Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000203.txt b/Waters/MSBNK-Waters-WA000203.txt index 4ef71e1d5c6..9f2a7d4dd87 100644 --- a/Waters/MSBNK-Waters-WA000203.txt +++ b/Waters/MSBNK-Waters-WA000203.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000203 -RECORD_TITLE: Cyclanilide; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Cyclanilide; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2012.10.22) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY GLWWLNJJJCTFMZ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID5032600 CH$LINK: ChemOnt CHEMONTID:0000285; Organic compounds; Benzenoids; Benzene and substituted derivatives; Anilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000204.txt b/Waters/MSBNK-Waters-WA000204.txt index 3ec5a634b8a..845b8c311ec 100644 --- a/Waters/MSBNK-Waters-WA000204.txt +++ b/Waters/MSBNK-Waters-WA000204.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000204 -RECORD_TITLE: Diclosulam; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Diclosulam; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY QNXAVFXEJCPCJO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4034528 CH$LINK: ChemOnt CHEMONTID:0000038; Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000205.txt b/Waters/MSBNK-Waters-WA000205.txt index f4be762d520..bc6d6d19abc 100644 --- a/Waters/MSBNK-Waters-WA000205.txt +++ b/Waters/MSBNK-Waters-WA000205.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000205 -RECORD_TITLE: Diclosulam; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Diclosulam; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY QNXAVFXEJCPCJO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4034528 CH$LINK: ChemOnt CHEMONTID:0000038; Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000206.txt b/Waters/MSBNK-Waters-WA000206.txt index 98553370e8c..ca4efb42a59 100644 --- a/Waters/MSBNK-Waters-WA000206.txt +++ b/Waters/MSBNK-Waters-WA000206.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000206 -RECORD_TITLE: Diclosulam; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Diclosulam; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY QNXAVFXEJCPCJO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4034528 CH$LINK: ChemOnt CHEMONTID:0000038; Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000207.txt b/Waters/MSBNK-Waters-WA000207.txt index 2ddc2c56d51..52849a4b1e9 100644 --- a/Waters/MSBNK-Waters-WA000207.txt +++ b/Waters/MSBNK-Waters-WA000207.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000207 -RECORD_TITLE: Diclosulam; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Diclosulam; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY QNXAVFXEJCPCJO-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4034528 CH$LINK: ChemOnt CHEMONTID:0000038; Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000208.txt b/Waters/MSBNK-Waters-WA000208.txt index 27e6720d8c7..46ad401e4f8 100644 --- a/Waters/MSBNK-Waters-WA000208.txt +++ b/Waters/MSBNK-Waters-WA000208.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000208 -RECORD_TITLE: Dichlorprop; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Dichlorprop; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY MZHCENGPTKEIGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020440 CH$LINK: ChemOnt CHEMONTID:0004676; Organic compounds; Benzenoids; Benzene and substituted derivatives; 2-phenoxypropionic acids AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000209.txt b/Waters/MSBNK-Waters-WA000209.txt index 2e19d203da3..42295487e71 100644 --- a/Waters/MSBNK-Waters-WA000209.txt +++ b/Waters/MSBNK-Waters-WA000209.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000209 -RECORD_TITLE: Dichlorprop; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Dichlorprop; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY MZHCENGPTKEIGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020440 CH$LINK: ChemOnt CHEMONTID:0004676; Organic compounds; Benzenoids; Benzene and substituted derivatives; 2-phenoxypropionic acids AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000210.txt b/Waters/MSBNK-Waters-WA000210.txt index 69ae2a882f6..dab8e6700c3 100644 --- a/Waters/MSBNK-Waters-WA000210.txt +++ b/Waters/MSBNK-Waters-WA000210.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000210 -RECORD_TITLE: Dichlorprop; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Dichlorprop; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY MZHCENGPTKEIGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020440 CH$LINK: ChemOnt CHEMONTID:0004676; Organic compounds; Benzenoids; Benzene and substituted derivatives; 2-phenoxypropionic acids AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000211.txt b/Waters/MSBNK-Waters-WA000211.txt index d557e6ea627..0e6ba1be3e5 100644 --- a/Waters/MSBNK-Waters-WA000211.txt +++ b/Waters/MSBNK-Waters-WA000211.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000211 -RECORD_TITLE: Dichlorprop; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Dichlorprop; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY MZHCENGPTKEIGP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0020440 CH$LINK: ChemOnt CHEMONTID:0004676; Organic compounds; Benzenoids; Benzene and substituted derivatives; 2-phenoxypropionic acids AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000212.txt b/Waters/MSBNK-Waters-WA000212.txt index 154472db7b0..6ed97c604bf 100644 --- a/Waters/MSBNK-Waters-WA000212.txt +++ b/Waters/MSBNK-Waters-WA000212.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000212 -RECORD_TITLE: Gibberellin A3; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Gibberellin A3; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY IXORZMNAPKEEDV-OBDJNFEBSA-N CH$LINK: COMPTOX DTXSID0020656 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000213.txt b/Waters/MSBNK-Waters-WA000213.txt index ed7d88f0f0c..31bb3f8ee35 100644 --- a/Waters/MSBNK-Waters-WA000213.txt +++ b/Waters/MSBNK-Waters-WA000213.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000213 -RECORD_TITLE: Gibberellin A3; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Gibberellin A3; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY IXORZMNAPKEEDV-OBDJNFEBSA-N CH$LINK: COMPTOX DTXSID0020656 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000214.txt b/Waters/MSBNK-Waters-WA000214.txt index 0fb25a17218..883e66a311b 100644 --- a/Waters/MSBNK-Waters-WA000214.txt +++ b/Waters/MSBNK-Waters-WA000214.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000214 -RECORD_TITLE: Gibberellin A3; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Gibberellin A3; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY IXORZMNAPKEEDV-OBDJNFEBSA-N CH$LINK: COMPTOX DTXSID0020656 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000215.txt b/Waters/MSBNK-Waters-WA000215.txt index 641dd724581..66ebc01f575 100644 --- a/Waters/MSBNK-Waters-WA000215.txt +++ b/Waters/MSBNK-Waters-WA000215.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000215 -RECORD_TITLE: Gibberellin A3; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Gibberellin A3; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY IXORZMNAPKEEDV-OBDJNFEBSA-N CH$LINK: COMPTOX DTXSID0020656 CH$LINK: ChemOnt CHEMONTID:0001551; Organic compounds; Lipids and lipid-like molecules; Prenol lipids; Diterpenoids AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000216.txt b/Waters/MSBNK-Waters-WA000216.txt index 8b5c7bbbbca..021f82b60d7 100644 --- a/Waters/MSBNK-Waters-WA000216.txt +++ b/Waters/MSBNK-Waters-WA000216.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000216 -RECORD_TITLE: Thidiazuron; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Thidiazuron; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY HFCYZXMHUIHAQI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0032651 CH$LINK: ChemOnt CHEMONTID:0001935; Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000217.txt b/Waters/MSBNK-Waters-WA000217.txt index 3a63e3e4cb7..f7ffc0ab3ea 100644 --- a/Waters/MSBNK-Waters-WA000217.txt +++ b/Waters/MSBNK-Waters-WA000217.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000217 -RECORD_TITLE: Thidiazuron; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Thidiazuron; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY HFCYZXMHUIHAQI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0032651 CH$LINK: ChemOnt CHEMONTID:0001935; Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000218.txt b/Waters/MSBNK-Waters-WA000218.txt index 1e9cb256974..ba490a8ad51 100644 --- a/Waters/MSBNK-Waters-WA000218.txt +++ b/Waters/MSBNK-Waters-WA000218.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000218 -RECORD_TITLE: Thidiazuron; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Thidiazuron; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY HFCYZXMHUIHAQI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0032651 CH$LINK: ChemOnt CHEMONTID:0001935; Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000219.txt b/Waters/MSBNK-Waters-WA000219.txt index 23950f24a8f..db443ce14b0 100644 --- a/Waters/MSBNK-Waters-WA000219.txt +++ b/Waters/MSBNK-Waters-WA000219.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000219 -RECORD_TITLE: Thidiazuron; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Thidiazuron; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY HFCYZXMHUIHAQI-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0032651 CH$LINK: ChemOnt CHEMONTID:0001935; Organic compounds; Benzenoids; Benzene and substituted derivatives; N-phenylureas AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000220.txt b/Waters/MSBNK-Waters-WA000220.txt index ca4bc4f1709..99ec1c81f67 100644 --- a/Waters/MSBNK-Waters-WA000220.txt +++ b/Waters/MSBNK-Waters-WA000220.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000220 -RECORD_TITLE: Thifensulfuron-methyl; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Thifensulfuron-methyl; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY AHTPATJNIAFOLR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024124 CH$LINK: ChemOnt CHEMONTID:0002017; Organic compounds; Organoheterocyclic compounds; Thiophenes; Thiophene carboxylic acids and derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000221.txt b/Waters/MSBNK-Waters-WA000221.txt index 97e24237ba5..bfdbbab7385 100644 --- a/Waters/MSBNK-Waters-WA000221.txt +++ b/Waters/MSBNK-Waters-WA000221.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000221 -RECORD_TITLE: Thifensulfuron-methyl; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Thifensulfuron-methyl; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY AHTPATJNIAFOLR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024124 CH$LINK: ChemOnt CHEMONTID:0002017; Organic compounds; Organoheterocyclic compounds; Thiophenes; Thiophene carboxylic acids and derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000222.txt b/Waters/MSBNK-Waters-WA000222.txt index 58e4c89e67b..993eed4c6e7 100644 --- a/Waters/MSBNK-Waters-WA000222.txt +++ b/Waters/MSBNK-Waters-WA000222.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000222 -RECORD_TITLE: Thifensulfuron-methyl; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Thifensulfuron-methyl; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY AHTPATJNIAFOLR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024124 CH$LINK: ChemOnt CHEMONTID:0002017; Organic compounds; Organoheterocyclic compounds; Thiophenes; Thiophene carboxylic acids and derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000223.txt b/Waters/MSBNK-Waters-WA000223.txt index 18c4cb34ddb..e445d892150 100644 --- a/Waters/MSBNK-Waters-WA000223.txt +++ b/Waters/MSBNK-Waters-WA000223.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000223 -RECORD_TITLE: Thifensulfuron-methyl; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Thifensulfuron-methyl; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY AHTPATJNIAFOLR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024124 CH$LINK: ChemOnt CHEMONTID:0002017; Organic compounds; Organoheterocyclic compounds; Thiophenes; Thiophene carboxylic acids and derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000224.txt b/Waters/MSBNK-Waters-WA000224.txt index d263e7c759c..ef4371578fd 100644 --- a/Waters/MSBNK-Waters-WA000224.txt +++ b/Waters/MSBNK-Waters-WA000224.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000224 -RECORD_TITLE: Thifensulfuron-methyl; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Thifensulfuron-methyl; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY AHTPATJNIAFOLR-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1024124 CH$LINK: ChemOnt CHEMONTID:0002017; Organic compounds; Organoheterocyclic compounds; Thiophenes; Thiophene carboxylic acids and derivatives AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Waters/MSBNK-Waters-WA000225.txt b/Waters/MSBNK-Waters-WA000225.txt index 738d10b6212..30716b5d208 100644 --- a/Waters/MSBNK-Waters-WA000225.txt +++ b/Waters/MSBNK-Waters-WA000225.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000225 -RECORD_TITLE: Triclopyr; LC-ESI-QQ; MS2; CE:5 V; [M-H]- +RECORD_TITLE: Triclopyr; LC-ESI-QQQ; MS2; CE:5 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY REEQLXCGVXDJSQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0032497 CH$LINK: ChemOnt CHEMONTID:0003970; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Halopyridines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/Waters/MSBNK-Waters-WA000226.txt b/Waters/MSBNK-Waters-WA000226.txt index 05256a77b9f..fdfde817e04 100644 --- a/Waters/MSBNK-Waters-WA000226.txt +++ b/Waters/MSBNK-Waters-WA000226.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000226 -RECORD_TITLE: Triclopyr; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Triclopyr; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY REEQLXCGVXDJSQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0032497 CH$LINK: ChemOnt CHEMONTID:0003970; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Halopyridines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000227.txt b/Waters/MSBNK-Waters-WA000227.txt index 1d0add289a1..0a296738da0 100644 --- a/Waters/MSBNK-Waters-WA000227.txt +++ b/Waters/MSBNK-Waters-WA000227.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000227 -RECORD_TITLE: Triclopyr; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Triclopyr; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY REEQLXCGVXDJSQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0032497 CH$LINK: ChemOnt CHEMONTID:0003970; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Halopyridines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000228.txt b/Waters/MSBNK-Waters-WA000228.txt index ae79d4d2e8f..a4163755986 100644 --- a/Waters/MSBNK-Waters-WA000228.txt +++ b/Waters/MSBNK-Waters-WA000228.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000228 -RECORD_TITLE: Triclopyr; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Triclopyr; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY REEQLXCGVXDJSQ-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID0032497 CH$LINK: ChemOnt CHEMONTID:0003970; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Halopyridines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000229.txt b/Waters/MSBNK-Waters-WA000229.txt index b69b251926c..9324a235b9e 100644 --- a/Waters/MSBNK-Waters-WA000229.txt +++ b/Waters/MSBNK-Waters-WA000229.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000229 -RECORD_TITLE: Triflusulfuron-methyl; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Triflusulfuron-methyl; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY IMEVJVISCHQJRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2032502 CH$LINK: ChemOnt CHEMONTID:0000490; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Sulfonylureas AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000230.txt b/Waters/MSBNK-Waters-WA000230.txt index af88521b3ef..2d5ba2d4bbe 100644 --- a/Waters/MSBNK-Waters-WA000230.txt +++ b/Waters/MSBNK-Waters-WA000230.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000230 -RECORD_TITLE: Triflusulfuron-methyl; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Triflusulfuron-methyl; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY IMEVJVISCHQJRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2032502 CH$LINK: ChemOnt CHEMONTID:0000490; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Sulfonylureas AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000231.txt b/Waters/MSBNK-Waters-WA000231.txt index cc042a42a35..140c9d5eb4a 100644 --- a/Waters/MSBNK-Waters-WA000231.txt +++ b/Waters/MSBNK-Waters-WA000231.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000231 -RECORD_TITLE: Triflusulfuron-methyl; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Triflusulfuron-methyl; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY IMEVJVISCHQJRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2032502 CH$LINK: ChemOnt CHEMONTID:0000490; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Sulfonylureas AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000232.txt b/Waters/MSBNK-Waters-WA000232.txt index a77af05d3fe..c71ab861658 100644 --- a/Waters/MSBNK-Waters-WA000232.txt +++ b/Waters/MSBNK-Waters-WA000232.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000232 -RECORD_TITLE: Triflusulfuron-methyl; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Triflusulfuron-methyl; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY IMEVJVISCHQJRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2032502 CH$LINK: ChemOnt CHEMONTID:0000490; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Sulfonylureas AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000233.txt b/Waters/MSBNK-Waters-WA000233.txt index 77713beaa7c..ca7eb78aff1 100644 --- a/Waters/MSBNK-Waters-WA000233.txt +++ b/Waters/MSBNK-Waters-WA000233.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000233 -RECORD_TITLE: Triflusulfuron-methyl; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Triflusulfuron-methyl; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY IMEVJVISCHQJRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2032502 CH$LINK: ChemOnt CHEMONTID:0000490; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Sulfonylureas AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Waters/MSBNK-Waters-WA000234.txt b/Waters/MSBNK-Waters-WA000234.txt index 09d2516028e..eae7ac3d92a 100644 --- a/Waters/MSBNK-Waters-WA000234.txt +++ b/Waters/MSBNK-Waters-WA000234.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000234 -RECORD_TITLE: Triflusulfuron-methyl; LC-ESI-QQ; MS2; CE:60 V; [M+H]+ +RECORD_TITLE: Triflusulfuron-methyl; LC-ESI-QQQ; MS2; CE:60 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY IMEVJVISCHQJRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2032502 CH$LINK: ChemOnt CHEMONTID:0000490; Organic compounds; Organic nitrogen compounds; Organonitrogen compounds; Sulfonylureas AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 V diff --git a/Waters/MSBNK-Waters-WA000235.txt b/Waters/MSBNK-Waters-WA000235.txt index 472d4b41ea4..d6849371c29 100644 --- a/Waters/MSBNK-Waters-WA000235.txt +++ b/Waters/MSBNK-Waters-WA000235.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000235 -RECORD_TITLE: Haloxyfop; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Haloxyfop; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY GOCUAJYOYBLQRH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7042019 CH$LINK: ChemOnt CHEMONTID:0004676; Organic compounds; Benzenoids; Benzene and substituted derivatives; 2-phenoxypropionic acids AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000236.txt b/Waters/MSBNK-Waters-WA000236.txt index e9dfcaac725..667858b0681 100644 --- a/Waters/MSBNK-Waters-WA000236.txt +++ b/Waters/MSBNK-Waters-WA000236.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000236 -RECORD_TITLE: Haloxyfop; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Haloxyfop; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY GOCUAJYOYBLQRH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7042019 CH$LINK: ChemOnt CHEMONTID:0004676; Organic compounds; Benzenoids; Benzene and substituted derivatives; 2-phenoxypropionic acids AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000237.txt b/Waters/MSBNK-Waters-WA000237.txt index a8b48db790a..d6bed1d539e 100644 --- a/Waters/MSBNK-Waters-WA000237.txt +++ b/Waters/MSBNK-Waters-WA000237.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000237 -RECORD_TITLE: Haloxyfop; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Haloxyfop; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY GOCUAJYOYBLQRH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7042019 CH$LINK: ChemOnt CHEMONTID:0004676; Organic compounds; Benzenoids; Benzene and substituted derivatives; 2-phenoxypropionic acids AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000238.txt b/Waters/MSBNK-Waters-WA000238.txt index 4355b840156..1da7c2f89b5 100644 --- a/Waters/MSBNK-Waters-WA000238.txt +++ b/Waters/MSBNK-Waters-WA000238.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000238 -RECORD_TITLE: Haloxyfop; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Haloxyfop; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY GOCUAJYOYBLQRH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7042019 CH$LINK: ChemOnt CHEMONTID:0004676; Organic compounds; Benzenoids; Benzene and substituted derivatives; 2-phenoxypropionic acids AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000239.txt b/Waters/MSBNK-Waters-WA000239.txt index ea18c10bc74..77ecd6cdb56 100644 --- a/Waters/MSBNK-Waters-WA000239.txt +++ b/Waters/MSBNK-Waters-WA000239.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000239 -RECORD_TITLE: Flumetsulam; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Flumetsulam; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY RXCPQSJAVKGONC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4032615 CH$LINK: ChemOnt CHEMONTID:0004681; Organic compounds; Organoheterocyclic compounds; Triazolopyrimidines; 1,2,4-triazolopyrimidine-2-sulfonamides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000240.txt b/Waters/MSBNK-Waters-WA000240.txt index 7ab03c84a62..bf333537ca9 100644 --- a/Waters/MSBNK-Waters-WA000240.txt +++ b/Waters/MSBNK-Waters-WA000240.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000240 -RECORD_TITLE: Flumetsulam; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Flumetsulam; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY RXCPQSJAVKGONC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4032615 CH$LINK: ChemOnt CHEMONTID:0004681; Organic compounds; Organoheterocyclic compounds; Triazolopyrimidines; 1,2,4-triazolopyrimidine-2-sulfonamides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000241.txt b/Waters/MSBNK-Waters-WA000241.txt index dca48387175..49356f063b2 100644 --- a/Waters/MSBNK-Waters-WA000241.txt +++ b/Waters/MSBNK-Waters-WA000241.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000241 -RECORD_TITLE: Flumetsulam; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Flumetsulam; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY RXCPQSJAVKGONC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4032615 CH$LINK: ChemOnt CHEMONTID:0004681; Organic compounds; Organoheterocyclic compounds; Triazolopyrimidines; 1,2,4-triazolopyrimidine-2-sulfonamides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000242.txt b/Waters/MSBNK-Waters-WA000242.txt index 5a238ac83cc..a767e6d99a0 100644 --- a/Waters/MSBNK-Waters-WA000242.txt +++ b/Waters/MSBNK-Waters-WA000242.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000242 -RECORD_TITLE: Flumetsulam; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Flumetsulam; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY RXCPQSJAVKGONC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4032615 CH$LINK: ChemOnt CHEMONTID:0004681; Organic compounds; Organoheterocyclic compounds; Triazolopyrimidines; 1,2,4-triazolopyrimidine-2-sulfonamides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000243.txt b/Waters/MSBNK-Waters-WA000243.txt index cdceda463a7..1b55cb7c338 100644 --- a/Waters/MSBNK-Waters-WA000243.txt +++ b/Waters/MSBNK-Waters-WA000243.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000243 -RECORD_TITLE: Flumetsulam; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Flumetsulam; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY RXCPQSJAVKGONC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4032615 CH$LINK: ChemOnt CHEMONTID:0004681; Organic compounds; Organoheterocyclic compounds; Triazolopyrimidines; 1,2,4-triazolopyrimidine-2-sulfonamides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Waters/MSBNK-Waters-WA000244.txt b/Waters/MSBNK-Waters-WA000244.txt index d585232b876..059c20f5d28 100644 --- a/Waters/MSBNK-Waters-WA000244.txt +++ b/Waters/MSBNK-Waters-WA000244.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000244 -RECORD_TITLE: Flumetsulam; LC-ESI-QQ; MS2; CE:60 V; [M+H]+ +RECORD_TITLE: Flumetsulam; LC-ESI-QQQ; MS2; CE:60 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY RXCPQSJAVKGONC-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID4032615 CH$LINK: ChemOnt CHEMONTID:0004681; Organic compounds; Organoheterocyclic compounds; Triazolopyrimidines; 1,2,4-triazolopyrimidine-2-sulfonamides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 V diff --git a/Waters/MSBNK-Waters-WA000245.txt b/Waters/MSBNK-Waters-WA000245.txt index eee6b598852..fce003d4350 100644 --- a/Waters/MSBNK-Waters-WA000245.txt +++ b/Waters/MSBNK-Waters-WA000245.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000245 -RECORD_TITLE: Fluroxypyr; LC-ESI-QQ; MS2; CE:5 V; [M-H]- +RECORD_TITLE: Fluroxypyr; LC-ESI-QQQ; MS2; CE:5 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY MEFQWPUMEMWTJP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2034627 CH$LINK: ChemOnt CHEMONTID:0003970; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Halopyridines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/Waters/MSBNK-Waters-WA000246.txt b/Waters/MSBNK-Waters-WA000246.txt index 960c78dc2a3..31aaef3aed8 100644 --- a/Waters/MSBNK-Waters-WA000246.txt +++ b/Waters/MSBNK-Waters-WA000246.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000246 -RECORD_TITLE: Fluroxypyr; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Fluroxypyr; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY MEFQWPUMEMWTJP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2034627 CH$LINK: ChemOnt CHEMONTID:0003970; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Halopyridines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000247.txt b/Waters/MSBNK-Waters-WA000247.txt index 7a346361d0f..4ac50050c99 100644 --- a/Waters/MSBNK-Waters-WA000247.txt +++ b/Waters/MSBNK-Waters-WA000247.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000247 -RECORD_TITLE: Fluroxypyr; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Fluroxypyr; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY MEFQWPUMEMWTJP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2034627 CH$LINK: ChemOnt CHEMONTID:0003970; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Halopyridines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000248.txt b/Waters/MSBNK-Waters-WA000248.txt index 4b1222204fc..8ea6d5ec4ab 100644 --- a/Waters/MSBNK-Waters-WA000248.txt +++ b/Waters/MSBNK-Waters-WA000248.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000248 -RECORD_TITLE: Fluroxypyr; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Fluroxypyr; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY MEFQWPUMEMWTJP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2034627 CH$LINK: ChemOnt CHEMONTID:0003970; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Halopyridines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000249.txt b/Waters/MSBNK-Waters-WA000249.txt index 86efbcc7e57..75b792b1f71 100644 --- a/Waters/MSBNK-Waters-WA000249.txt +++ b/Waters/MSBNK-Waters-WA000249.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000249 -RECORD_TITLE: Bromoxynil; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Bromoxynil; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY UPMXNNIRAGDFEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3022162 CH$LINK: ChemOnt CHEMONTID:0001530; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzonitriles AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000250.txt b/Waters/MSBNK-Waters-WA000250.txt index 3aa873a0020..e82ef4a15c7 100644 --- a/Waters/MSBNK-Waters-WA000250.txt +++ b/Waters/MSBNK-Waters-WA000250.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000250 -RECORD_TITLE: Bromoxynil; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Bromoxynil; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY UPMXNNIRAGDFEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3022162 CH$LINK: ChemOnt CHEMONTID:0001530; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzonitriles AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000251.txt b/Waters/MSBNK-Waters-WA000251.txt index 633cf0c467d..610ff74d5cc 100644 --- a/Waters/MSBNK-Waters-WA000251.txt +++ b/Waters/MSBNK-Waters-WA000251.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000251 -RECORD_TITLE: Bromoxynil; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Bromoxynil; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY UPMXNNIRAGDFEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3022162 CH$LINK: ChemOnt CHEMONTID:0001530; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzonitriles AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000252.txt b/Waters/MSBNK-Waters-WA000252.txt index 3b9a8cec293..ab95d0814af 100644 --- a/Waters/MSBNK-Waters-WA000252.txt +++ b/Waters/MSBNK-Waters-WA000252.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000252 -RECORD_TITLE: Bromoxynil; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Bromoxynil; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY UPMXNNIRAGDFEH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID3022162 CH$LINK: ChemOnt CHEMONTID:0001530; Organic compounds; Benzenoids; Benzene and substituted derivatives; Benzonitriles AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000253.txt b/Waters/MSBNK-Waters-WA000253.txt index a63d41056c4..99ea0d93fb3 100644 --- a/Waters/MSBNK-Waters-WA000253.txt +++ b/Waters/MSBNK-Waters-WA000253.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000253 -RECORD_TITLE: Florasulam; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Florasulam; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY QZXATCCPQKOEIH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7044340 CH$LINK: ChemOnt CHEMONTID:0000038; Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000254.txt b/Waters/MSBNK-Waters-WA000254.txt index 28893e032d7..bc0952b7e8d 100644 --- a/Waters/MSBNK-Waters-WA000254.txt +++ b/Waters/MSBNK-Waters-WA000254.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000254 -RECORD_TITLE: Florasulam; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Florasulam; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY QZXATCCPQKOEIH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7044340 CH$LINK: ChemOnt CHEMONTID:0000038; Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000255.txt b/Waters/MSBNK-Waters-WA000255.txt index 1e2529e7047..caac7e8a02b 100644 --- a/Waters/MSBNK-Waters-WA000255.txt +++ b/Waters/MSBNK-Waters-WA000255.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000255 -RECORD_TITLE: Florasulam; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Florasulam; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY QZXATCCPQKOEIH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7044340 CH$LINK: ChemOnt CHEMONTID:0000038; Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000256.txt b/Waters/MSBNK-Waters-WA000256.txt index 1d52831351c..f9b9ff60d34 100644 --- a/Waters/MSBNK-Waters-WA000256.txt +++ b/Waters/MSBNK-Waters-WA000256.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000256 -RECORD_TITLE: Florasulam; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Florasulam; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY QZXATCCPQKOEIH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7044340 CH$LINK: ChemOnt CHEMONTID:0000038; Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000257.txt b/Waters/MSBNK-Waters-WA000257.txt index 3e045249c5d..e470df91202 100644 --- a/Waters/MSBNK-Waters-WA000257.txt +++ b/Waters/MSBNK-Waters-WA000257.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000257 -RECORD_TITLE: Florasulam; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ +RECORD_TITLE: Florasulam; LC-ESI-QQQ; MS2; CE:50 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY QZXATCCPQKOEIH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7044340 CH$LINK: ChemOnt CHEMONTID:0000038; Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V diff --git a/Waters/MSBNK-Waters-WA000258.txt b/Waters/MSBNK-Waters-WA000258.txt index e997ec7407d..e64edb772a9 100644 --- a/Waters/MSBNK-Waters-WA000258.txt +++ b/Waters/MSBNK-Waters-WA000258.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000258 -RECORD_TITLE: Florasulam; LC-ESI-QQ; MS2; CE:60 V; [M+H]+ +RECORD_TITLE: Florasulam; LC-ESI-QQQ; MS2; CE:60 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY QZXATCCPQKOEIH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7044340 CH$LINK: ChemOnt CHEMONTID:0000038; Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 60 V diff --git a/Waters/MSBNK-Waters-WA000259.txt b/Waters/MSBNK-Waters-WA000259.txt index 0955acccca7..bd00993c329 100644 --- a/Waters/MSBNK-Waters-WA000259.txt +++ b/Waters/MSBNK-Waters-WA000259.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000259 -RECORD_TITLE: Florasulam; LC-ESI-QQ; MS2; CE:70 V; [M+H]+ +RECORD_TITLE: Florasulam; LC-ESI-QQQ; MS2; CE:70 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY QZXATCCPQKOEIH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7044340 CH$LINK: ChemOnt CHEMONTID:0000038; Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 70 V diff --git a/Waters/MSBNK-Waters-WA000260.txt b/Waters/MSBNK-Waters-WA000260.txt index f188c2abc76..c3b737e9f75 100644 --- a/Waters/MSBNK-Waters-WA000260.txt +++ b/Waters/MSBNK-Waters-WA000260.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000260 -RECORD_TITLE: Florasulam; LC-ESI-QQ; MS2; CE:80 V; [M+H]+ +RECORD_TITLE: Florasulam; LC-ESI-QQQ; MS2; CE:80 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY QZXATCCPQKOEIH-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7044340 CH$LINK: ChemOnt CHEMONTID:0000038; Organic compounds; Benzenoids; Benzene and substituted derivatives; Sulfanilides AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 80 V diff --git a/Waters/MSBNK-Waters-WA000261.txt b/Waters/MSBNK-Waters-WA000261.txt index cfa298957f1..519f038cf4f 100644 --- a/Waters/MSBNK-Waters-WA000261.txt +++ b/Waters/MSBNK-Waters-WA000261.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000261 -RECORD_TITLE: Fomesafen; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Fomesafen; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY BGZZWXTVIYUUEY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7024112 CH$LINK: ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000262.txt b/Waters/MSBNK-Waters-WA000262.txt index 8b4a2a5064e..98d6dd839d7 100644 --- a/Waters/MSBNK-Waters-WA000262.txt +++ b/Waters/MSBNK-Waters-WA000262.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000262 -RECORD_TITLE: Fomesafen; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Fomesafen; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY BGZZWXTVIYUUEY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7024112 CH$LINK: ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000263.txt b/Waters/MSBNK-Waters-WA000263.txt index f449d719973..361640f2c55 100644 --- a/Waters/MSBNK-Waters-WA000263.txt +++ b/Waters/MSBNK-Waters-WA000263.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000263 -RECORD_TITLE: Fomesafen; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Fomesafen; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY BGZZWXTVIYUUEY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7024112 CH$LINK: ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000264.txt b/Waters/MSBNK-Waters-WA000264.txt index f92e388ac7d..78f10ed5ec2 100644 --- a/Waters/MSBNK-Waters-WA000264.txt +++ b/Waters/MSBNK-Waters-WA000264.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000264 -RECORD_TITLE: Fomesafen; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Fomesafen; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY BGZZWXTVIYUUEY-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID7024112 CH$LINK: ChemOnt CHEMONTID:0004155; Organic compounds; Benzenoids; Benzene and substituted derivatives; Diphenylethers AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000265.txt b/Waters/MSBNK-Waters-WA000265.txt index a1b08434c2f..e6071288d30 100644 --- a/Waters/MSBNK-Waters-WA000265.txt +++ b/Waters/MSBNK-Waters-WA000265.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000265 -RECORD_TITLE: Forchlorfenuron; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ +RECORD_TITLE: Forchlorfenuron; LC-ESI-QQQ; MS2; CE:10 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY GPXLRLUVLMHHIK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1034634 CH$LINK: ChemOnt CHEMONTID:0003970; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Halopyridines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000266.txt b/Waters/MSBNK-Waters-WA000266.txt index 07dead3c040..3783a375151 100644 --- a/Waters/MSBNK-Waters-WA000266.txt +++ b/Waters/MSBNK-Waters-WA000266.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000266 -RECORD_TITLE: Forchlorfenuron; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ +RECORD_TITLE: Forchlorfenuron; LC-ESI-QQQ; MS2; CE:20 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY GPXLRLUVLMHHIK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1034634 CH$LINK: ChemOnt CHEMONTID:0003970; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Halopyridines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000267.txt b/Waters/MSBNK-Waters-WA000267.txt index b4b82555085..4069b91c2ff 100644 --- a/Waters/MSBNK-Waters-WA000267.txt +++ b/Waters/MSBNK-Waters-WA000267.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000267 -RECORD_TITLE: Forchlorfenuron; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ +RECORD_TITLE: Forchlorfenuron; LC-ESI-QQQ; MS2; CE:30 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY GPXLRLUVLMHHIK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1034634 CH$LINK: ChemOnt CHEMONTID:0003970; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Halopyridines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000268.txt b/Waters/MSBNK-Waters-WA000268.txt index 37133703a4c..d18292d371d 100644 --- a/Waters/MSBNK-Waters-WA000268.txt +++ b/Waters/MSBNK-Waters-WA000268.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000268 -RECORD_TITLE: Forchlorfenuron; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ +RECORD_TITLE: Forchlorfenuron; LC-ESI-QQQ; MS2; CE:40 V; [M+H]+ DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -14,7 +14,7 @@ CH$LINK: INCHIKEY GPXLRLUVLMHHIK-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1034634 CH$LINK: ChemOnt CHEMONTID:0003970; Organic compounds; Organoheterocyclic compounds; Pyridines and derivatives; Halopyridines AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V diff --git a/Waters/MSBNK-Waters-WA000269.txt b/Waters/MSBNK-Waters-WA000269.txt index f7ae7f2a795..2dab068b957 100644 --- a/Waters/MSBNK-Waters-WA000269.txt +++ b/Waters/MSBNK-Waters-WA000269.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000269 -RECORD_TITLE: Mecoprop; LC-ESI-QQ; MS2; CE:5 V; [M-H]- +RECORD_TITLE: Mecoprop; LC-ESI-QQQ; MS2; CE:5 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY WNTGYJSOUMFZEP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9024194 CH$LINK: ChemOnt CHEMONTID:0004676; Organic compounds; Benzenoids; Benzene and substituted derivatives; 2-phenoxypropionic acids AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 5 V diff --git a/Waters/MSBNK-Waters-WA000270.txt b/Waters/MSBNK-Waters-WA000270.txt index 8d625c20720..de7a5f06075 100644 --- a/Waters/MSBNK-Waters-WA000270.txt +++ b/Waters/MSBNK-Waters-WA000270.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000270 -RECORD_TITLE: Mecoprop; LC-ESI-QQ; MS2; CE:10 V; [M-H]- +RECORD_TITLE: Mecoprop; LC-ESI-QQQ; MS2; CE:10 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY WNTGYJSOUMFZEP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9024194 CH$LINK: ChemOnt CHEMONTID:0004676; Organic compounds; Benzenoids; Benzene and substituted derivatives; 2-phenoxypropionic acids AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V diff --git a/Waters/MSBNK-Waters-WA000271.txt b/Waters/MSBNK-Waters-WA000271.txt index 18069540e8e..284e925e1f6 100644 --- a/Waters/MSBNK-Waters-WA000271.txt +++ b/Waters/MSBNK-Waters-WA000271.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000271 -RECORD_TITLE: Mecoprop; LC-ESI-QQ; MS2; CE:20 V; [M-H]- +RECORD_TITLE: Mecoprop; LC-ESI-QQQ; MS2; CE:20 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY WNTGYJSOUMFZEP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9024194 CH$LINK: ChemOnt CHEMONTID:0004676; Organic compounds; Benzenoids; Benzene and substituted derivatives; 2-phenoxypropionic acids AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V diff --git a/Waters/MSBNK-Waters-WA000272.txt b/Waters/MSBNK-Waters-WA000272.txt index c3a440c89ad..cf4e79b49c3 100644 --- a/Waters/MSBNK-Waters-WA000272.txt +++ b/Waters/MSBNK-Waters-WA000272.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000272 -RECORD_TITLE: Mecoprop; LC-ESI-QQ; MS2; CE:30 V; [M-H]- +RECORD_TITLE: Mecoprop; LC-ESI-QQQ; MS2; CE:30 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY WNTGYJSOUMFZEP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9024194 CH$LINK: ChemOnt CHEMONTID:0004676; Organic compounds; Benzenoids; Benzene and substituted derivatives; 2-phenoxypropionic acids AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V diff --git a/Waters/MSBNK-Waters-WA000273.txt b/Waters/MSBNK-Waters-WA000273.txt index 6c0bd1507d0..d05096f9185 100644 --- a/Waters/MSBNK-Waters-WA000273.txt +++ b/Waters/MSBNK-Waters-WA000273.txt @@ -1,5 +1,5 @@ ACCESSION: MSBNK-Waters-WA000273 -RECORD_TITLE: Mecoprop; LC-ESI-QQ; MS2; CE:40 V; [M-H]- +RECORD_TITLE: Mecoprop; LC-ESI-QQQ; MS2; CE:40 V; [M-H]- DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06) AUTHORS: Nihon Waters K.K. LICENSE: CC BY-NC @@ -15,7 +15,7 @@ CH$LINK: INCHIKEY WNTGYJSOUMFZEP-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9024194 CH$LINK: ChemOnt CHEMONTID:0004676; Organic compounds; Benzenoids; Benzene and substituted derivatives; 2-phenoxypropionic acids AC$INSTRUMENT: QuattroPremier XE, Waters -AC$INSTRUMENT_TYPE: LC-ESI-QQ +AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V